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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
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4666 |
1fho ![]() ![]() |
4373 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 11.393 -10.717 -14.074 2 2H MET 1 HT2 MET 1 9.912 -9.857 -13.936 3 3H MET 1 HT3 MET 1 10.296 -11.105 -12.814 4 HA MET 1 HA MET 1 11.627 -8.505 -13.138 5 1HB MET 1 HB3 MET 1 10.064 -9.746 -10.862 6 2HB MET 1 HB2 MET 1 10.826 -8.161 -10.831 7 1HG MET 1 HG2 MET 1 9.346 -7.434 -12.655 8 2HG MET 1 HG3 MET 1 8.566 -9.014 -12.630 9 1HE MET 1 HE1 MET 1 6.416 -6.043 -11.560 10 2HE MET 1 HE2 MET 1 6.852 -7.203 -12.814 11 3HE MET 1 HE3 MET 1 5.697 -7.653 -11.560 12 H GLY 2 HN GLY 2 11.578 -11.635 -11.439 13 1HA GLY 2 HA2 GLY 2 13.695 -12.824 -11.194 14 2HA GLY 2 HA1 GLY 2 14.465 -11.270 -10.904 15 H ASP 3 HN ASP 3 15.312 -12.262 -8.957 16 HA ASP 3 HA ASP 3 13.348 -12.141 -6.764 17 1HB ASP 3 HB3 ASP 3 15.504 -14.195 -7.214 18 2HB ASP 3 HB2 ASP 3 14.855 -13.877 -5.608 19 H THR 4 HN THR 4 14.979 -10.068 -7.774 20 HA THR 4 HA THR 4 17.071 -9.766 -5.746 21 HB THR 4 HB THR 4 16.511 -7.876 -8.033 22 HG1 THR 4 HG1 THR 4 18.129 -10.219 -8.056 23 1HG2 THR 4 HG21 THR 4 19.094 -8.587 -6.659 24 2HG2 THR 4 HG22 THR 4 18.135 -7.145 -6.323 25 3HG2 THR 4 HG23 THR 4 18.861 -7.369 -7.915 26 H GLY 5 HN GLY 5 14.886 -9.712 -4.421 27 1HA GLY 5 HA1 GLY 5 14.169 -6.865 -4.109 28 2HA GLY 5 HA2 GLY 5 13.004 -8.165 -3.900 29 H LYS 6 HN LYS 6 14.057 -6.029 -2.086 30 HA LYS 6 HA LYS 6 15.312 -7.636 0.007 31 1HB LYS 6 HB2 LYS 6 14.744 -4.666 -0.083 32 2HB LYS 6 HB3 LYS 6 15.652 -5.501 1.171 33 1HG LYS 6 HG2 LYS 6 17.303 -6.182 -0.550 34 2HG LYS 6 HG3 LYS 6 16.423 -5.196 -1.721 35 1HD LYS 6 HD3 LYS 6 16.795 -3.222 -0.284 36 2HD LYS 6 HD2 LYS 6 17.749 -4.229 0.809 37 1HE LYS 6 HE3 LYS 6 19.218 -3.010 -0.678 38 2HE LYS 6 HE2 LYS 6 19.291 -4.736 -1.036 39 1HZ LYS 6 HZ1 LYS 6 18.961 -2.875 -2.899 40 2HZ LYS 6 HZ2 LYS 6 17.337 -3.205 -2.551 41 3HZ LYS 6 HZ3 LYS 6 18.367 -4.455 -3.053 42 H LEU 7 HN LEU 7 14.478 -6.836 2.316 43 HA LEU 7 HA LEU 7 11.725 -7.718 2.425 44 1HB LEU 7 HB3 LEU 7 13.510 -6.879 4.712 45 2HB LEU 7 HB2 LEU 7 12.054 -7.850 4.806 46 HG LEU 7 HG LEU 7 14.648 -8.688 3.510 47 1HD1 LEU 7 HD21 LEU 7 14.147 -8.543 6.169 48 2HD1 LEU 7 HD22 LEU 7 13.606 -10.181 5.810 49 3HD1 LEU 7 HD23 LEU 7 15.255 -9.692 5.422 50 1HD2 LEU 7 HD11 LEU 7 13.690 -10.716 2.954 51 2HD2 LEU 7 HD12 LEU 7 12.352 -10.516 4.087 52 3HD2 LEU 7 HD13 LEU 7 12.394 -9.575 2.595 53 H GLY 8 HN GLY 8 13.588 -4.809 2.956 54 1HA GLY 8 HA2 GLY 8 12.907 -2.612 3.028 55 2HA GLY 8 HA1 GLY 8 11.273 -3.154 2.662 56 H ARG 9 HN ARG 9 9.823 -3.503 4.312 57 HA ARG 9 HA ARG 9 8.829 -3.226 6.346 58 1HB ARG 9 HB2 ARG 9 11.550 -3.834 7.519 59 2HB ARG 9 HB3 ARG 9 9.990 -4.023 8.305 60 1HG ARG 9 HG3 ARG 9 9.474 -5.933 7.132 61 2HG ARG 9 HG2 ARG 9 10.594 -5.554 5.821 62 1HD ARG 9 HD2 ARG 9 11.465 -7.372 7.175 63 2HD ARG 9 HD3 ARG 9 12.483 -5.940 7.329 64 HE ARG 9 HE ARG 9 11.943 -5.815 9.548 65 1HH1 ARG 9 HH12 ARG 9 10.538 -8.848 8.501 66 2HH1 ARG 9 HH11 ARG 9 8.980 -8.468 9.188 67 1HH2 ARG 9 HH22 ARG 9 11.193 -7.344 11.523 68 2HH2 ARG 9 HH21 ARG 9 9.502 -6.920 11.397 69 H ILE 10 HN ILE 10 10.623 -1.074 5.072 70 HA ILE 10 HA ILE 10 11.525 0.539 7.215 71 HB ILE 10 HB ILE 10 12.495 0.545 4.919 72 1HG1 ILE 10 HG12 ILE 10 11.585 3.279 5.826 73 2HG1 ILE 10 HG13 ILE 10 12.865 2.363 6.614 74 1HG2 ILE 10 HG21 ILE 10 10.161 2.295 4.182 75 2HG2 ILE 10 HG22 ILE 10 11.472 1.745 3.137 76 3HG2 ILE 10 HG23 ILE 10 10.286 0.592 3.747 77 1HD1 ILE 10 HD11 ILE 10 13.998 3.820 5.215 78 2HD1 ILE 10 HD12 ILE 10 13.972 2.314 4.300 79 3HD1 ILE 10 HD13 ILE 10 12.845 3.608 3.898 80 H ILE 11 HN ILE 11 8.443 0.313 5.588 81 HA ILE 11 HA ILE 11 7.578 2.662 7.138 82 HB ILE 11 HB ILE 11 6.363 1.741 4.527 83 1HG1 ILE 11 HG13 ILE 11 8.065 4.161 5.163 84 2HG1 ILE 11 HG12 ILE 11 8.559 2.778 4.191 85 1HG2 ILE 11 HG21 ILE 11 4.570 2.913 5.143 86 2HG2 ILE 11 HG22 ILE 11 5.363 3.406 6.640 87 3HG2 ILE 11 HG23 ILE 11 5.573 4.365 5.175 88 1HD1 ILE 11 HD11 ILE 11 7.289 5.148 3.355 89 2HD1 ILE 11 HD12 ILE 11 7.764 3.755 2.385 90 3HD1 ILE 11 HD13 ILE 11 6.155 3.820 3.104 91 H ARG 12 HN ARG 12 5.492 0.470 5.350 92 HA ARG 12 HA ARG 12 4.617 -0.829 7.820 93 1HB ARG 12 HB2 ARG 12 3.418 1.458 7.205 94 2HB ARG 12 HB3 ARG 12 2.526 0.431 6.096 95 1HG ARG 12 HG3 ARG 12 1.262 0.658 8.094 96 2HG ARG 12 HG2 ARG 12 1.888 -0.991 8.031 97 1HD ARG 12 HD3 ARG 12 3.244 -0.684 9.819 98 2HD ARG 12 HD2 ARG 12 3.566 1.004 9.419 99 HE ARG 12 HE ARG 12 1.915 1.594 10.856 100 1HH1 ARG 12 HH11 ARG 12 1.336 -1.944 11.476 101 2HH1 ARG 12 HH12 ARG 12 0.394 -1.840 10.009 102 1HH2 ARG 12 HH21 ARG 12 0.045 0.445 12.744 103 2HH2 ARG 12 HH22 ARG 12 -0.929 0.894 11.369 104 H HIS 13 HN HIS 13 3.290 -2.711 7.434 105 HA HIS 13 HA HIS 13 2.752 -3.469 4.703 106 1HB HIS 13 HB2 HIS 13 4.133 -5.405 4.582 107 2HB HIS 13 HB3 HIS 13 5.167 -4.069 5.061 108 HD1 HIS 13 HD1 HIS 13 5.383 -4.002 7.921 109 HD2 HIS 13 HD2 HIS 13 4.669 -7.602 5.963 110 HE1 HIS 13 HE1 HIS 13 6.091 -5.804 9.530 111 HE2 HIS 13 HE2 HIS 13 5.479 -7.965 8.389 112 H ASP 14 HN ASP 14 0.677 -3.828 5.041 113 HA ASP 14 HA ASP 14 -0.075 -6.001 6.862 114 1HB ASP 14 HB2 ASP 14 -1.292 -3.240 6.774 115 2HB ASP 14 HB3 ASP 14 -2.241 -4.634 7.292 116 H ALA 15 HN ALA 15 -2.215 -6.939 6.298 117 HA ALA 15 HA ALA 15 -2.542 -6.876 3.383 118 1HB ALA 15 HB1 ALA 15 -2.371 -9.080 3.681 119 2HB ALA 15 HB2 ALA 15 -2.679 -8.961 5.413 120 3HB ALA 15 HB3 ALA 15 -4.027 -8.998 4.278 121 H PHE 16 HN PHE 16 -4.199 -5.834 2.561 122 HA PHE 16 HA PHE 16 -6.582 -5.385 4.230 123 1HB PHE 16 HB3 PHE 16 -5.371 -3.754 1.999 124 2HB PHE 16 HB2 PHE 16 -7.031 -3.519 2.525 125 HD1 PHE 16 HD1 PHE 16 -3.620 -3.733 4.042 126 HD2 PHE 16 HD2 PHE 16 -7.438 -1.854 4.026 127 HE1 PHE 16 HE1 PHE 16 -2.855 -2.169 5.780 128 HE2 PHE 16 HE2 PHE 16 -6.679 -0.291 5.766 129 HZ PHE 16 HZ PHE 16 -4.387 -0.449 6.647 130 H GLN 17 HN GLN 17 -8.290 -6.537 3.675 131 HA GLN 17 HA GLN 17 -8.389 -7.777 1.052 132 1HB GLN 17 HB3 GLN 17 -8.954 -9.156 3.010 133 2HB GLN 17 HB2 GLN 17 -10.255 -8.049 3.423 134 1HG GLN 17 HG3 GLN 17 -11.462 -8.643 1.426 135 2HG GLN 17 HG2 GLN 17 -10.124 -9.649 0.875 136 1HE2 GLN 17 HE21 GLN 17 -10.540 -11.711 1.097 137 2HE2 GLN 17 HE22 GLN 17 -11.199 -12.455 2.504 138 H VAL 18 HN VAL 18 -9.002 -6.458 -0.486 139 HA VAL 18 HA VAL 18 -11.570 -5.113 -0.198 140 HB VAL 18 HB VAL 18 -9.934 -3.351 -1.695 141 1HG1 VAL 18 HG21 VAL 18 -10.630 -2.478 0.976 142 2HG1 VAL 18 HG22 VAL 18 -11.188 -1.885 -0.589 143 3HG1 VAL 18 HG23 VAL 18 -11.971 -3.278 0.158 144 1HG2 VAL 18 HG11 VAL 18 -8.562 -4.529 0.606 145 2HG2 VAL 18 HG12 VAL 18 -7.918 -3.610 -0.753 146 3HG2 VAL 18 HG13 VAL 18 -8.627 -2.766 0.624 147 H TRP 19 HN TRP 19 -11.737 -3.783 -2.465 148 HA TRP 19 HA TRP 19 -11.559 -5.856 -4.550 149 1HB TRP 19 HB2 TRP 19 -13.572 -3.618 -4.463 150 2HB TRP 19 HB3 TRP 19 -13.698 -5.179 -5.266 151 HD1 TRP 19 HD1 TRP 19 -14.766 -7.133 -3.965 152 HE1 TRP 19 HE1 TRP 19 -15.852 -7.393 -1.655 153 HE3 TRP 19 HE3 TRP 19 -13.390 -2.595 -1.838 154 HZ2 TRP 19 HZ2 TRP 19 -16.090 -5.945 0.727 155 HZ3 TRP 19 HZ3 TRP 19 -14.111 -2.185 0.472 156 HH2 TRP 19 HH2 TRP 19 -15.436 -3.803 1.716 157 H GLU 20 HN GLU 20 -9.919 -5.168 -6.123 158 HA GLU 20 HA GLU 20 -9.505 -2.356 -6.497 159 1HB GLU 20 HB2 GLU 20 -7.711 -4.182 -6.533 160 2HB GLU 20 HB3 GLU 20 -8.386 -4.688 -8.072 161 1HG GLU 20 HG3 GLU 20 -8.000 -2.087 -8.590 162 2HG GLU 20 HG2 GLU 20 -6.721 -2.354 -7.406 163 H GLY 21 HN GLY 21 -9.370 -1.714 -8.947 164 1HA GLY 21 HA2 GLY 21 -11.062 -0.893 -10.440 165 2HA GLY 21 HA1 GLY 21 -10.294 -2.275 -11.182 166 H ASP 22 HN ASP 22 -12.916 -1.917 -8.778 167 HA ASP 22 HA ASP 22 -15.008 -2.780 -8.665 168 1HB ASP 22 HB2 ASP 22 -14.811 -2.484 -11.661 169 2HB ASP 22 HB3 ASP 22 -16.302 -2.878 -10.810 170 H GLU 23 HN GLU 23 -12.583 -4.635 -9.405 171 HA GLU 23 HA GLU 23 -14.007 -6.970 -10.407 172 1HB GLU 23 HB3 GLU 23 -11.767 -6.418 -11.293 173 2HB GLU 23 HB2 GLU 23 -11.098 -6.520 -9.672 174 1HG GLU 23 HG2 GLU 23 -11.549 -8.883 -9.584 175 2HG GLU 23 HG3 GLU 23 -12.354 -8.816 -11.150 176 HA PRO 24 HA PRO 24 -15.090 -9.007 -6.638 177 1HB PRO 24 HB3 PRO 24 -13.309 -11.242 -7.306 178 2HB PRO 24 HB2 PRO 24 -15.057 -11.225 -7.081 179 1HG PRO 24 HG2 PRO 24 -13.616 -11.256 -9.530 180 2HG PRO 24 HG3 PRO 24 -15.368 -11.158 -9.301 181 1HD PRO 24 HD2 PRO 24 -13.712 -9.153 -10.335 182 2HD PRO 24 HD3 PRO 24 -15.388 -8.956 -9.793 183 HA PRO 25 HA PRO 25 -12.228 -8.141 -3.461 184 1HB PRO 25 HB3 PRO 25 -12.430 -10.562 -2.027 185 2HB PRO 25 HB2 PRO 25 -13.321 -9.066 -1.752 186 1HG PRO 25 HG2 PRO 25 -14.145 -11.504 -3.231 187 2HG PRO 25 HG3 PRO 25 -15.128 -10.357 -2.304 188 1HD PRO 25 HD3 PRO 25 -15.162 -10.372 -4.982 189 2HD PRO 25 HD2 PRO 25 -15.256 -8.851 -4.067 190 H LYS 26 HN LYS 26 -10.329 -8.412 -2.734 191 HA LYS 26 HA LYS 26 -8.613 -10.623 -3.660 192 1HB LYS 26 HB3 LYS 26 -8.157 -7.702 -4.102 193 2HB LYS 26 HB2 LYS 26 -6.769 -8.725 -3.770 194 1HG LYS 26 HG3 LYS 26 -6.815 -8.696 -6.059 195 2HG LYS 26 HG2 LYS 26 -7.682 -10.187 -5.697 196 1HD LYS 26 HD3 LYS 26 -9.393 -9.450 -6.893 197 2HD LYS 26 HD2 LYS 26 -9.598 -8.131 -5.739 198 1HE LYS 26 HE2 LYS 26 -9.381 -7.276 -8.016 199 2HE LYS 26 HE3 LYS 26 -8.028 -6.761 -7.012 200 1HZ LYS 26 HZ1 LYS 26 -7.437 -9.207 -8.317 201 2HZ LYS 26 HZ2 LYS 26 -6.612 -7.727 -8.388 202 3HZ LYS 26 HZ3 LYS 26 -7.904 -8.035 -9.447 203 H LEU 27 HN LEU 27 -6.607 -10.834 -2.418 204 HA LEU 27 HA LEU 27 -6.831 -9.710 0.288 205 1HB LEU 27 HB3 LEU 27 -7.199 -12.310 -0.221 206 2HB LEU 27 HB2 LEU 27 -5.446 -12.309 -0.239 207 HG LEU 27 HG LEU 27 -6.111 -12.963 1.951 208 1HD1 LEU 27 HD21 LEU 27 -4.777 -10.451 1.560 209 2HD1 LEU 27 HD22 LEU 27 -5.677 -10.443 3.077 210 3HD1 LEU 27 HD23 LEU 27 -4.481 -11.702 2.769 211 1HD2 LEU 27 HD11 LEU 27 -7.537 -10.772 2.991 212 2HD2 LEU 27 HD12 LEU 27 -8.315 -11.217 1.471 213 3HD2 LEU 27 HD13 LEU 27 -8.103 -12.423 2.740 214 H ARG 28 HN ARG 28 -5.558 -8.022 -0.815 215 HA ARG 28 HA ARG 28 -2.885 -8.792 -1.613 216 1HB ARG 28 HB3 ARG 28 -2.629 -6.363 -2.180 217 2HB ARG 28 HB2 ARG 28 -3.865 -7.228 -3.076 218 1HG ARG 28 HG2 ARG 28 -4.813 -5.869 -0.651 219 2HG ARG 28 HG3 ARG 28 -4.204 -4.807 -1.922 220 1HD ARG 28 HD2 ARG 28 -5.683 -6.259 -3.482 221 2HD ARG 28 HD3 ARG 28 -6.503 -6.715 -1.991 222 HE ARG 28 HE ARG 28 -6.400 -3.973 -1.944 223 1HH1 ARG 28 HH12 ARG 28 -7.298 -5.665 -4.951 224 2HH1 ARG 28 HH11 ARG 28 -8.762 -6.098 -4.105 225 1HH2 ARG 28 HH21 ARG 28 -8.682 -2.977 -2.474 226 2HH2 ARG 28 HH22 ARG 28 -8.378 -2.846 -4.171 227 H TYR 29 HN TYR 29 -1.126 -8.593 -0.519 228 HA TYR 29 HA TYR 29 -1.202 -7.482 2.172 229 1HB TYR 29 HB3 TYR 29 1.077 -8.821 0.674 230 2HB TYR 29 HB2 TYR 29 1.091 -8.376 2.373 231 HD1 TYR 29 HD1 TYR 29 1.890 -10.887 2.269 232 HD2 TYR 29 HD2 TYR 29 -2.122 -9.615 1.657 233 HE1 TYR 29 HE1 TYR 29 1.100 -13.132 2.864 234 HE2 TYR 29 HE2 TYR 29 -2.923 -11.863 2.251 235 HH TYR 29 HH TYR 29 -1.197 -14.504 2.205 236 H VAL 30 HN VAL 30 -1.276 -5.310 1.948 237 HA VAL 30 HA VAL 30 0.177 -3.880 -0.033 238 HB VAL 30 HB VAL 30 -1.241 -2.852 2.433 239 1HG1 VAL 30 HG21 VAL 30 -0.985 -0.706 1.677 240 2HG1 VAL 30 HG22 VAL 30 0.550 -1.417 1.180 241 3HG1 VAL 30 HG23 VAL 30 -0.746 -1.207 0.002 242 1HG2 VAL 30 HG11 VAL 30 -2.320 -2.633 -0.347 243 2HG2 VAL 30 HG12 VAL 30 -2.504 -4.152 0.532 244 3HG2 VAL 30 HG13 VAL 30 -3.176 -2.663 1.195 245 H PHE 31 HN PHE 31 2.265 -3.568 -0.005 246 HA PHE 31 HA PHE 31 3.666 -3.246 2.570 247 1HB PHE 31 HB2 PHE 31 4.810 -4.078 -0.104 248 2HB PHE 31 HB3 PHE 31 5.670 -4.029 1.427 249 HD1 PHE 31 HD1 PHE 31 4.365 -5.504 3.327 250 HD2 PHE 31 HD2 PHE 31 4.292 -6.136 -0.878 251 HE1 PHE 31 HE1 PHE 31 3.831 -7.876 3.699 252 HE2 PHE 31 HE2 PHE 31 3.752 -8.509 -0.515 253 HZ PHE 31 HZ PHE 31 3.522 -9.384 1.775 254 H LEU 32 HN LEU 32 4.284 -1.170 2.954 255 HA LEU 32 HA LEU 32 4.641 0.578 0.618 256 1HB LEU 32 HB2 LEU 32 4.856 1.701 3.354 257 2HB LEU 32 HB3 LEU 32 4.177 2.398 1.895 258 HG LEU 32 HG LEU 32 2.790 0.298 3.552 259 1HD1 LEU 32 HD11 LEU 32 1.439 2.763 3.643 260 2HD1 LEU 32 HD12 LEU 32 2.252 1.928 4.967 261 3HD1 LEU 32 HD13 LEU 32 3.132 3.113 4.001 262 1HD2 LEU 32 HD21 LEU 32 2.375 1.201 0.930 263 2HD2 LEU 32 HD22 LEU 32 1.299 0.210 1.914 264 3HD2 LEU 32 HD23 LEU 32 1.130 1.964 1.919 265 H PHE 33 HN PHE 33 6.661 0.896 -0.073 266 HA PHE 33 HA PHE 33 8.810 0.863 1.939 267 1HB PHE 33 HB2 PHE 33 9.006 -0.309 -0.845 268 2HB PHE 33 HB3 PHE 33 10.298 -0.252 0.347 269 HD1 PHE 33 HD1 PHE 33 9.171 -1.210 2.780 270 HD2 PHE 33 HD2 PHE 33 8.359 -2.452 -1.204 271 HE1 PHE 33 HE1 PHE 33 8.501 -3.428 3.609 272 HE2 PHE 33 HE2 PHE 33 7.687 -4.669 -0.383 273 HZ PHE 33 HZ PHE 33 7.757 -5.161 2.027 274 H ARG 34 HN ARG 34 10.206 2.508 1.811 275 HA ARG 34 HA ARG 34 11.173 4.459 1.214 276 1HB ARG 34 HB3 ARG 34 11.995 2.976 -0.635 277 2HB ARG 34 HB2 ARG 34 10.685 3.587 -1.633 278 1HG ARG 34 HG3 ARG 34 11.590 5.785 -1.623 279 2HG ARG 34 HG2 ARG 34 12.774 5.353 -0.386 280 1HD ARG 34 HD2 ARG 34 13.887 5.399 -2.503 281 2HD ARG 34 HD3 ARG 34 13.757 3.721 -1.979 282 HE ARG 34 HE ARG 34 11.601 4.537 -3.697 283 1HH1 ARG 34 HH11 ARG 34 14.977 3.175 -3.850 284 2HH1 ARG 34 HH12 ARG 34 14.033 1.818 -4.397 285 1HH2 ARG 34 HH22 ARG 34 11.816 2.769 -5.857 286 2HH2 ARG 34 HH21 ARG 34 12.770 4.065 -6.532 287 H ASN 35 HN ASN 35 9.172 4.514 -1.697 288 HA ASN 35 HA ASN 35 7.396 6.484 -0.471 289 1HB ASN 35 HB2 ASN 35 9.376 7.694 -1.435 290 2HB ASN 35 HB3 ASN 35 8.938 7.062 -3.016 291 1HD2 ASN 35 HD21 ASN 35 8.231 9.343 -0.571 292 2HD2 ASN 35 HD22 ASN 35 6.811 10.034 -1.255 293 H LYS 36 HN LYS 36 7.376 3.680 -1.744 294 HA LYS 36 HA LYS 36 5.056 4.266 -3.442 295 1HB LYS 36 HB2 LYS 36 5.645 2.582 -5.046 296 2HB LYS 36 HB3 LYS 36 6.964 3.735 -4.906 297 1HG LYS 36 HG2 LYS 36 8.344 2.220 -3.820 298 2HG LYS 36 HG3 LYS 36 6.996 1.166 -3.373 299 1HD LYS 36 HD2 LYS 36 6.648 0.634 -5.739 300 2HD LYS 36 HD3 LYS 36 8.032 1.647 -6.167 301 1HE LYS 36 HE2 LYS 36 9.495 0.204 -4.819 302 2HE LYS 36 HE3 LYS 36 8.113 -0.818 -4.431 303 1HZ LYS 36 HZ1 LYS 36 9.710 -1.426 -6.381 304 2HZ LYS 36 HZ2 LYS 36 8.757 -0.329 -7.256 305 3HZ LYS 36 HZ3 LYS 36 8.040 -1.683 -6.532 306 H ILE 37 HN ILE 37 3.451 2.766 -3.508 307 HA ILE 37 HA ILE 37 3.384 0.915 -1.228 308 HB ILE 37 HB ILE 37 1.146 2.119 -2.873 309 1HG1 ILE 37 HG12 ILE 37 1.959 2.640 -0.006 310 2HG1 ILE 37 HG13 ILE 37 2.293 3.711 -1.363 311 1HG2 ILE 37 HG21 ILE 37 0.679 -0.171 -2.020 312 2HG2 ILE 37 HG22 ILE 37 0.911 0.442 -0.383 313 3HG2 ILE 37 HG23 ILE 37 -0.399 1.070 -1.382 314 1HD1 ILE 37 HD11 ILE 37 0.266 4.160 0.196 315 2HD1 ILE 37 HD12 ILE 37 0.110 4.383 -1.546 316 3HD1 ILE 37 HD13 ILE 37 -0.519 2.922 -0.784 317 H MET 38 HN MET 38 4.019 -1.090 -1.934 318 HA MET 38 HA MET 38 2.849 -2.060 -4.458 319 1HB MET 38 HB3 MET 38 4.664 -3.820 -4.355 320 2HB MET 38 HB2 MET 38 5.201 -2.179 -4.680 321 1HG MET 38 HG3 MET 38 5.941 -1.933 -2.394 322 2HG MET 38 HG2 MET 38 5.315 -3.532 -1.996 323 1HE MET 38 HE1 MET 38 7.621 -5.881 -4.076 324 2HE MET 38 HE2 MET 38 6.510 -5.827 -2.708 325 3HE MET 38 HE3 MET 38 5.965 -5.319 -4.306 326 H PHE 39 HN PHE 39 1.182 -3.356 -4.194 327 HA PHE 39 HA PHE 39 1.067 -4.944 -1.731 328 1HB PHE 39 HB2 PHE 39 -1.420 -4.866 -1.997 329 2HB PHE 39 HB3 PHE 39 -0.664 -3.319 -1.648 330 HD1 PHE 39 HD1 PHE 39 -0.067 -1.904 -3.862 331 HD2 PHE 39 HD2 PHE 39 -3.049 -4.924 -3.581 332 HE1 PHE 39 HE1 PHE 39 -1.220 -0.944 -5.812 333 HE2 PHE 39 HE2 PHE 39 -4.211 -3.964 -5.531 334 HZ PHE 39 HZ PHE 39 -3.293 -1.975 -6.647 335 H THR 40 HN THR 40 1.065 -7.026 -1.878 336 HA THR 40 HA THR 40 1.034 -8.273 -4.475 337 HB THR 40 HB THR 40 1.496 -10.353 -3.145 338 HG1 THR 40 HG1 THR 40 2.064 -8.964 -0.864 339 1HG2 THR 40 HG21 THR 40 3.229 -8.239 -3.609 340 2HG2 THR 40 HG22 THR 40 3.659 -9.894 -3.180 341 3HG2 THR 40 HG23 THR 40 3.485 -8.673 -1.919 342 H GLU 41 HN GLU 41 -1.013 -8.211 -5.295 343 HA GLU 41 HA GLU 41 -3.325 -8.736 -3.751 344 1HB GLU 41 HB2 GLU 41 -2.861 -8.563 -6.714 345 2HB GLU 41 HB3 GLU 41 -4.425 -9.020 -6.058 346 1HG GLU 41 HG2 GLU 41 -4.048 -6.794 -4.657 347 2HG GLU 41 HG3 GLU 41 -3.055 -6.398 -6.060 348 H GLN 42 HN GLN 42 -2.957 -10.679 -2.705 349 HA GLN 42 HA GLN 42 -2.556 -13.117 -4.171 350 1HB GLN 42 HB2 GLN 42 -1.742 -12.914 -1.872 351 2HB GLN 42 HB3 GLN 42 -3.373 -12.601 -1.299 352 1HG GLN 42 HG2 GLN 42 -4.026 -14.860 -2.027 353 2HG GLN 42 HG3 GLN 42 -2.351 -15.164 -2.493 354 1HE2 GLN 42 HE21 GLN 42 -4.600 -15.386 -0.059 355 2HE2 GLN 42 HE22 GLN 42 -3.508 -15.889 1.187 356 H ASP 43 HN ASP 43 -4.229 -12.942 -5.667 357 HA ASP 43 HA ASP 43 -6.965 -12.966 -4.700 358 1HB ASP 43 HB3 ASP 43 -6.116 -11.579 -6.713 359 2HB ASP 43 HB2 ASP 43 -6.177 -13.107 -7.590 360 H ALA 44 HN ALA 44 -7.916 -14.763 -4.244 361 HA ALA 44 HA ALA 44 -6.818 -17.301 -5.012 362 1HB ALA 44 HB1 ALA 44 -8.142 -16.467 -2.834 363 2HB ALA 44 HB2 ALA 44 -9.471 -17.204 -3.728 364 3HB ALA 44 HB3 ALA 44 -8.044 -18.158 -3.323 365 H SER 45 HN SER 45 -7.663 -15.831 -7.273 366 HA SER 45 HA SER 45 -10.201 -16.730 -8.217 367 1HB SER 45 HB3 SER 45 -7.867 -15.931 -9.957 368 2HB SER 45 HB2 SER 45 -9.590 -15.751 -10.290 369 HG SER 45 HG SER 45 -9.585 -14.267 -8.434 370 H THR 46 HN THR 46 -10.275 -18.916 -7.949 371 HA THR 46 HA THR 46 -9.929 -21.114 -8.292 372 HB THR 46 HB THR 46 -9.295 -21.839 -10.582 373 HG1 THR 46 HG1 THR 46 -8.498 -19.195 -10.783 374 1HG2 THR 46 HG21 THR 46 -11.361 -19.687 -10.340 375 2HG2 THR 46 HG22 THR 46 -11.584 -21.435 -10.333 376 3HG2 THR 46 HG23 THR 46 -11.111 -20.613 -11.819 377 H SER 47 HN SER 47 -7.220 -20.931 -10.405 378 HA SER 47 HA SER 47 -5.363 -21.183 -8.157 379 1HB SER 47 HB2 SER 47 -5.445 -23.180 -10.428 380 2HB SER 47 HB3 SER 47 -4.346 -23.198 -9.050 381 HG SER 47 HG SER 47 -6.648 -23.130 -7.934 382 HA PRO 48 HA PRO 48 -2.772 -20.408 -12.271 383 1HB PRO 48 HB2 PRO 48 -4.920 -19.368 -14.035 384 2HB PRO 48 HB3 PRO 48 -3.527 -20.387 -14.421 385 1HG PRO 48 HG2 PRO 48 -5.965 -21.432 -14.277 386 2HG PRO 48 HG3 PRO 48 -4.564 -22.317 -13.646 387 1HD PRO 48 HD3 PRO 48 -6.656 -20.771 -12.168 388 2HD PRO 48 HD2 PRO 48 -5.905 -22.327 -11.756 389 HA PRO 49 HA PRO 49 -4.120 -15.700 -12.723 390 1HB PRO 49 HB3 PRO 49 -6.227 -15.591 -10.630 391 2HB PRO 49 HB2 PRO 49 -6.112 -14.735 -12.174 392 1HG PRO 49 HG3 PRO 49 -7.767 -16.781 -11.919 393 2HG PRO 49 HG2 PRO 49 -6.800 -16.598 -13.396 394 1HD PRO 49 HD3 PRO 49 -6.361 -18.419 -11.052 395 2HD PRO 49 HD2 PRO 49 -6.202 -18.762 -12.787 396 H SER 50 HN SER 50 -5.254 -14.599 -9.880 397 HA SER 50 HA SER 50 -4.346 -13.693 -8.010 398 1HB SER 50 HB2 SER 50 -3.612 -16.020 -7.456 399 2HB SER 50 HB3 SER 50 -2.103 -15.713 -8.312 400 HG SER 50 HG SER 50 -1.485 -15.079 -6.389 401 H TYR 51 HN TYR 51 -2.096 -12.598 -7.288 402 HA TYR 51 HA TYR 51 -0.719 -11.622 -9.693 403 1HB TYR 51 HB3 TYR 51 -2.221 -9.985 -7.687 404 2HB TYR 51 HB2 TYR 51 -0.776 -9.306 -8.426 405 HD1 TYR 51 HD1 TYR 51 -3.985 -10.974 -9.405 406 HD2 TYR 51 HD2 TYR 51 -0.989 -8.119 -10.387 407 HE1 TYR 51 HE1 TYR 51 -5.287 -10.292 -11.376 408 HE2 TYR 51 HE2 TYR 51 -2.282 -7.431 -12.357 409 HH TYR 51 HH TYR 51 -5.510 -8.308 -12.833 410 H THR 52 HN THR 52 1.239 -12.482 -9.301 411 HA THR 52 HA THR 52 2.447 -12.526 -6.704 412 HB THR 52 HB THR 52 3.588 -13.022 -9.468 413 HG1 THR 52 HG1 THR 52 1.989 -14.518 -8.851 414 1HG2 THR 52 HG21 THR 52 5.243 -12.491 -7.559 415 2HG2 THR 52 HG22 THR 52 5.509 -13.910 -8.573 416 3HG2 THR 52 HG23 THR 52 4.804 -14.093 -6.967 417 H HIS 53 HN HIS 53 2.336 -10.377 -6.074 418 HA HIS 53 HA HIS 53 2.787 -8.169 -5.941 419 1HB HIS 53 HB3 HIS 53 5.164 -7.579 -5.773 420 2HB HIS 53 HB2 HIS 53 4.767 -9.030 -4.870 421 HD1 HIS 53 HD1 HIS 53 5.669 -11.326 -5.899 422 HD2 HIS 53 HD2 HIS 53 7.186 -7.839 -7.584 423 HE1 HIS 53 HE1 HIS 53 7.722 -12.022 -7.173 424 HE2 HIS 53 HE2 HIS 53 8.753 -9.861 -7.945 425 H TYR 54 HN TYR 54 1.766 -8.686 -8.418 426 HA TYR 54 HA TYR 54 3.382 -7.298 -10.386 427 1HB TYR 54 HB2 TYR 54 1.951 -9.293 -10.945 428 2HB TYR 54 HB3 TYR 54 0.535 -8.290 -10.648 429 HD1 TYR 54 HD1 TYR 54 3.726 -8.026 -12.580 430 HD2 TYR 54 HD2 TYR 54 -0.488 -7.461 -12.533 431 HE1 TYR 54 HE1 TYR 54 3.816 -7.240 -14.904 432 HE2 TYR 54 HE2 TYR 54 -0.414 -6.670 -14.860 433 HH TYR 54 HH TYR 54 1.931 -7.224 -16.908 434 H SER 55 HN SER 55 0.467 -6.783 -8.485 435 HA SER 55 HA SER 55 -0.131 -4.226 -9.628 436 1HB SER 55 HB2 SER 55 -1.120 -5.354 -6.997 437 2HB SER 55 HB3 SER 55 -1.885 -4.108 -7.983 438 HG SER 55 HG SER 55 -2.900 -6.112 -8.303 439 H SER 56 HN SER 56 0.558 -2.256 -8.963 440 HA SER 56 HA SER 56 1.650 -1.843 -6.340 441 1HB SER 56 HB2 SER 56 3.885 -1.047 -7.225 442 2HB SER 56 HB3 SER 56 3.634 -2.792 -7.270 443 HG SER 56 HG SER 56 2.745 -1.999 -9.552 444 H ILE 57 HN ILE 57 1.931 0.317 -5.816 445 HA ILE 57 HA ILE 57 0.993 2.289 -7.798 446 HB ILE 57 HB ILE 57 0.212 2.040 -4.882 447 1HG1 ILE 57 HG13 ILE 57 -1.053 0.582 -6.381 448 2HG1 ILE 57 HG12 ILE 57 -2.080 1.868 -5.758 449 1HG2 ILE 57 HG21 ILE 57 0.183 4.370 -6.668 450 2HG2 ILE 57 HG22 ILE 57 -1.330 4.063 -5.816 451 3HG2 ILE 57 HG23 ILE 57 0.165 4.284 -4.906 452 1HD1 ILE 57 HD11 ILE 57 -1.978 3.040 -7.840 453 2HD1 ILE 57 HD12 ILE 57 -0.778 1.909 -8.468 454 3HD1 ILE 57 HD13 ILE 57 -2.427 1.363 -8.155 455 H ARG 58 HN ARG 58 1.944 4.384 -7.561 456 HA ARG 58 HA ARG 58 4.184 4.517 -5.672 457 1HB ARG 58 HB2 ARG 58 5.636 5.496 -7.296 458 2HB ARG 58 HB3 ARG 58 4.967 4.032 -7.996 459 1HG ARG 58 HG2 ARG 58 3.863 6.753 -8.587 460 2HG ARG 58 HG3 ARG 58 5.158 6.013 -9.526 461 1HD ARG 58 HD2 ARG 58 2.372 4.920 -9.139 462 2HD ARG 58 HD3 ARG 58 3.004 5.668 -10.603 463 HE ARG 58 HE ARG 58 3.287 2.964 -9.840 464 1HH1 ARG 58 HH11 ARG 58 4.495 5.192 -12.293 465 2HH1 ARG 58 HH12 ARG 58 6.139 4.679 -12.030 466 1HH2 ARG 58 HH22 ARG 58 5.472 1.726 -10.778 467 2HH2 ARG 58 HH21 ARG 58 4.736 1.986 -12.335 468 H LEU 59 HN LEU 59 4.194 6.287 -4.414 469 HA LEU 59 HA LEU 59 2.056 8.098 -4.443 470 1HB LEU 59 HB2 LEU 59 4.549 7.731 -2.884 471 2HB LEU 59 HB3 LEU 59 3.768 9.295 -2.780 472 HG LEU 59 HG LEU 59 1.790 8.338 -1.842 473 1HD1 LEU 59 HD11 LEU 59 1.692 6.319 -3.240 474 2HD1 LEU 59 HD12 LEU 59 3.010 5.617 -2.299 475 3HD1 LEU 59 HD13 LEU 59 1.462 5.960 -1.528 476 1HD2 LEU 59 HD21 LEU 59 3.876 6.757 -0.431 477 2HD2 LEU 59 HD22 LEU 59 4.033 8.511 -0.505 478 3HD2 LEU 59 HD23 LEU 59 2.600 7.785 0.221 479 H ASP 60 HN ASP 60 3.665 8.205 -6.893 480 HA ASP 60 HA ASP 60 4.653 10.960 -6.791 481 1HB ASP 60 HB3 ASP 60 6.188 9.271 -7.728 482 2HB ASP 60 HB2 ASP 60 4.989 8.875 -8.956 483 H LYS 61 HN LYS 61 3.060 9.015 -9.328 484 HA LYS 61 HA LYS 61 1.415 11.372 -9.897 485 1HB LYS 61 HB2 LYS 61 2.398 9.162 -11.668 486 2HB LYS 61 HB3 LYS 61 1.129 10.272 -12.167 487 1HG LYS 61 HG2 LYS 61 2.597 12.141 -11.993 488 2HG LYS 61 HG3 LYS 61 3.854 11.150 -11.250 489 1HD LYS 61 HD2 LYS 61 4.100 9.879 -13.296 490 2HD LYS 61 HD3 LYS 61 2.784 10.785 -14.045 491 1HE LYS 61 HE3 LYS 61 5.017 11.575 -14.738 492 2HE LYS 61 HE2 LYS 61 4.063 12.822 -13.934 493 1HZ LYS 61 HZ1 LYS 61 5.687 13.078 -12.476 494 2HZ LYS 61 HZ2 LYS 61 6.606 11.878 -13.249 495 3HZ LYS 61 HZ3 LYS 61 5.554 11.460 -11.987 496 H TYR 62 HN TYR 62 0.240 10.115 -7.912 497 HA TYR 62 HA TYR 62 -2.074 8.920 -9.231 498 1HB TYR 62 HB3 TYR 62 -2.270 7.100 -7.811 499 2HB TYR 62 HB2 TYR 62 -0.523 7.194 -7.998 500 HD1 TYR 62 HD1 TYR 62 0.593 8.869 -6.158 501 HD2 TYR 62 HD2 TYR 62 -3.035 6.695 -5.686 502 HE1 TYR 62 HE1 TYR 62 0.843 8.991 -3.718 503 HE2 TYR 62 HE2 TYR 62 -2.787 6.808 -3.243 504 HH TYR 62 HH TYR 62 -0.167 8.653 -1.734 505 H ASN 63 HN ASN 63 -4.056 9.497 -8.277 506 HA ASN 63 HA ASN 63 -3.864 11.718 -6.396 507 1HB ASN 63 HB2 ASN 63 -5.151 12.139 -8.452 508 2HB ASN 63 HB3 ASN 63 -6.180 10.753 -8.103 509 1HD2 ASN 63 HD21 ASN 63 -8.093 11.557 -7.687 510 2HD2 ASN 63 HD22 ASN 63 -8.440 12.917 -6.675 511 H ILE 64 HN ILE 64 -4.949 11.613 -4.405 512 HA ILE 64 HA ILE 64 -6.241 9.063 -3.776 513 HB ILE 64 HB ILE 64 -3.897 8.746 -3.266 514 1HG1 ILE 64 HG12 ILE 64 -5.487 9.018 -0.712 515 2HG1 ILE 64 HG13 ILE 64 -5.672 7.695 -1.861 516 1HG2 ILE 64 HG21 ILE 64 -3.710 10.487 -0.971 517 2HG2 ILE 64 HG22 ILE 64 -2.594 10.259 -2.317 518 3HG2 ILE 64 HG23 ILE 64 -3.938 11.390 -2.470 519 1HD1 ILE 64 HD11 ILE 64 -3.070 8.368 -0.542 520 2HD1 ILE 64 HD12 ILE 64 -4.233 7.220 0.125 521 3HD1 ILE 64 HD13 ILE 64 -3.491 6.914 -1.446 522 H ARG 65 HN ARG 65 -7.620 9.044 -2.084 523 HA ARG 65 HA ARG 65 -8.186 11.557 -0.688 524 1HB ARG 65 HB2 ARG 65 -10.419 9.786 -1.528 525 2HB ARG 65 HB3 ARG 65 -10.451 11.496 -1.160 526 1HG ARG 65 HG3 ARG 65 -9.333 11.985 -3.273 527 2HG ARG 65 HG2 ARG 65 -9.310 10.263 -3.658 528 1HD ARG 65 HD3 ARG 65 -11.155 11.382 -4.788 529 2HD ARG 65 HD2 ARG 65 -11.749 10.215 -3.608 530 HE ARG 65 HE ARG 65 -11.566 12.766 -2.424 531 1HH1 ARG 65 HH11 ARG 65 -13.965 11.534 -5.038 532 2HH1 ARG 65 HH12 ARG 65 -14.725 11.008 -3.560 533 1HH2 ARG 65 HH22 ARG 65 -14.131 13.310 -1.717 534 2HH2 ARG 65 HH21 ARG 65 -14.309 14.198 -3.211 535 H GLN 66 HN GLN 66 -9.764 10.999 1.225 536 HA GLN 66 HA GLN 66 -9.429 8.273 2.180 537 1HB GLN 66 HB3 GLN 66 -8.406 8.990 4.324 538 2HB GLN 66 HB2 GLN 66 -7.354 9.251 2.940 539 1HG GLN 66 HG3 GLN 66 -7.887 11.611 2.939 540 2HG GLN 66 HG2 GLN 66 -9.026 11.377 4.262 541 1HE2 GLN 66 HE21 GLN 66 -6.618 9.314 4.947 542 2HE2 GLN 66 HE22 GLN 66 -5.695 10.317 6.012 543 H HIS 67 HN HIS 67 -11.095 7.612 3.313 544 HA HIS 67 HA HIS 67 -13.113 9.578 4.116 545 1HB HIS 67 HB3 HIS 67 -13.231 6.566 3.855 546 2HB HIS 67 HB2 HIS 67 -14.560 7.552 4.454 547 HD1 HIS 67 HD1 HIS 67 -15.165 9.608 2.585 548 HD2 HIS 67 HD2 HIS 67 -13.513 6.036 1.243 549 HE1 HIS 67 HE1 HIS 67 -15.708 9.487 0.129 550 HE2 HIS 67 HE2 HIS 67 -14.818 7.248 -0.634 551 H THR 68 HN THR 68 -13.898 9.592 6.300 552 HA THR 68 HA THR 68 -12.361 8.004 8.223 553 HB THR 68 HB THR 68 -12.717 10.968 8.657 554 HG1 THR 68 HG1 THR 68 -10.833 9.650 7.067 555 1HG2 THR 68 HG21 THR 68 -10.270 9.911 9.649 556 2HG2 THR 68 HG22 THR 68 -11.601 8.892 10.203 557 3HG2 THR 68 HG23 THR 68 -11.616 10.625 10.538 558 H THR 69 HN THR 69 -13.463 9.737 10.412 559 HA THR 69 HA THR 69 -15.214 9.736 11.832 560 HB THR 69 HB THR 69 -16.950 9.758 9.357 561 HG1 THR 69 HG1 THR 69 -15.284 11.711 10.480 562 1HG2 THR 69 HG21 THR 69 -18.438 11.158 10.680 563 2HG2 THR 69 HG22 THR 69 -17.370 10.984 12.074 564 3HG2 THR 69 HG23 THR 69 -18.213 9.576 11.428 565 H ASP 70 HN ASP 70 -14.276 7.437 11.965 566 HA ASP 70 HA ASP 70 -14.790 5.376 12.798 567 1HB ASP 70 HB3 ASP 70 -17.097 5.968 13.290 568 2HB ASP 70 HB2 ASP 70 -17.538 5.752 11.599 569 H GLU 71 HN GLU 71 -15.881 6.087 9.504 570 HA GLU 71 HA GLU 71 -14.896 3.461 8.682 571 1HB GLU 71 HB3 GLU 71 -16.784 5.417 7.473 572 2HB GLU 71 HB2 GLU 71 -15.867 4.362 6.409 573 1HG GLU 71 HG3 GLU 71 -17.230 3.049 8.666 574 2HG GLU 71 HG2 GLU 71 -18.268 3.736 7.418 575 H ASP 72 HN ASP 72 -12.728 3.810 8.766 576 HA ASP 72 HA ASP 72 -11.545 5.951 7.194 577 1HB ASP 72 HB2 ASP 72 -10.135 3.704 8.656 578 2HB ASP 72 HB3 ASP 72 -9.391 5.155 7.996 579 H THR 73 HN THR 73 -11.054 5.709 5.160 580 HA THR 73 HA THR 73 -10.282 3.127 4.071 581 HB THR 73 HB THR 73 -12.686 4.697 3.089 582 HG1 THR 73 HG1 THR 73 -12.485 2.749 4.860 583 1HG2 THR 73 HG21 THR 73 -13.001 3.156 1.353 584 2HG2 THR 73 HG22 THR 73 -11.734 2.088 1.960 585 3HG2 THR 73 HG23 THR 73 -11.311 3.652 1.258 586 H ILE 74 HN ILE 74 -8.564 3.498 2.644 587 HA ILE 74 HA ILE 74 -8.141 6.246 1.812 588 HB ILE 74 HB ILE 74 -6.402 3.780 1.914 589 1HG1 ILE 74 HG12 ILE 74 -6.553 5.177 3.928 590 2HG1 ILE 74 HG13 ILE 74 -4.931 5.208 3.241 591 1HG2 ILE 74 HG21 ILE 74 -4.961 6.055 0.912 592 2HG2 ILE 74 HG22 ILE 74 -5.088 4.422 0.253 593 3HG2 ILE 74 HG23 ILE 74 -6.296 5.637 -0.167 594 1HD1 ILE 74 HD11 ILE 74 -5.198 7.388 2.431 595 2HD1 ILE 74 HD12 ILE 74 -6.949 7.343 2.643 596 3HD1 ILE 74 HD13 ILE 74 -5.891 7.410 4.054 597 H VAL 75 HN VAL 75 -8.901 6.780 -0.110 598 HA VAL 75 HA VAL 75 -9.298 4.655 -2.107 599 HB VAL 75 HB VAL 75 -10.833 7.170 -1.554 600 1HG1 VAL 75 HG21 VAL 75 -11.412 5.352 -3.853 601 2HG1 VAL 75 HG22 VAL 75 -12.067 6.957 -3.529 602 3HG1 VAL 75 HG23 VAL 75 -10.382 6.776 -4.029 603 1HG2 VAL 75 HG11 VAL 75 -12.578 5.085 -1.871 604 2HG2 VAL 75 HG12 VAL 75 -11.222 4.390 -0.983 605 3HG2 VAL 75 HG13 VAL 75 -12.056 5.809 -0.351 606 H LEU 76 HN LEU 76 -7.798 4.758 -3.680 607 HA LEU 76 HA LEU 76 -6.697 7.378 -4.302 608 1HB LEU 76 HB3 LEU 76 -4.974 6.124 -5.591 609 2HB LEU 76 HB2 LEU 76 -4.969 5.854 -3.860 610 HG LEU 76 HG LEU 76 -6.511 3.969 -5.518 611 1HD1 LEU 76 HD21 LEU 76 -4.140 2.738 -5.592 612 2HD1 LEU 76 HD22 LEU 76 -4.738 3.748 -6.908 613 3HD1 LEU 76 HD23 LEU 76 -3.602 4.413 -5.733 614 1HD2 LEU 76 HD11 LEU 76 -5.678 2.368 -3.873 615 2HD2 LEU 76 HD12 LEU 76 -4.679 3.626 -3.145 616 3HD2 LEU 76 HD13 LEU 76 -6.437 3.750 -3.081 617 H GLN 77 HN GLN 77 -6.871 8.323 -6.200 618 HA GLN 77 HA GLN 77 -8.720 7.109 -8.133 619 1HB GLN 77 HB3 GLN 77 -9.285 9.296 -6.872 620 2HB GLN 77 HB2 GLN 77 -8.088 10.046 -7.918 621 1HG GLN 77 HG3 GLN 77 -9.363 9.424 -9.880 622 2HG GLN 77 HG2 GLN 77 -10.534 8.574 -8.870 623 1HE2 GLN 77 HE21 GLN 77 -10.057 11.313 -10.535 624 2HE2 GLN 77 HE22 GLN 77 -10.896 12.478 -9.576 625 HA PRO 78 HA PRO 78 -5.292 6.940 -10.881 626 1HB PRO 78 HB3 PRO 78 -6.601 6.363 -13.146 627 2HB PRO 78 HB2 PRO 78 -6.434 5.207 -11.817 628 1HG PRO 78 HG3 PRO 78 -8.752 6.976 -12.508 629 2HG PRO 78 HG2 PRO 78 -8.753 5.260 -12.060 630 1HD PRO 78 HD2 PRO 78 -9.330 7.235 -10.296 631 2HD PRO 78 HD3 PRO 78 -8.542 5.717 -9.816 632 H GLN 79 HN GLN 79 -4.333 8.902 -11.192 633 HA GLN 79 HA GLN 79 -5.563 10.741 -13.128 634 1HB GLN 79 HB3 GLN 79 -3.750 12.328 -12.437 635 2HB GLN 79 HB2 GLN 79 -4.866 11.906 -11.148 636 1HG GLN 79 HG3 GLN 79 -3.305 10.596 -10.047 637 2HG GLN 79 HG2 GLN 79 -2.286 10.439 -11.480 638 1HE2 GLN 79 HE21 GLN 79 -2.789 13.419 -11.915 639 2HE2 GLN 79 HE22 GLN 79 -1.525 14.124 -10.968 640 H GLU 80 HN GLU 80 -4.415 8.165 -13.589 641 HA GLU 80 HA GLU 80 -2.546 8.835 -15.729 642 1HB GLU 80 HB3 GLU 80 -2.115 6.664 -13.668 643 2HB GLU 80 HB2 GLU 80 -1.273 6.697 -15.208 644 1HG GLU 80 HG3 GLU 80 -0.487 9.032 -14.504 645 2HG GLU 80 HG2 GLU 80 -1.014 8.567 -12.886 646 HA PRO 81 HA PRO 81 -5.554 6.467 -17.976 647 1HB PRO 81 HB3 PRO 81 -3.344 6.062 -19.903 648 2HB PRO 81 HB2 PRO 81 -4.938 6.776 -20.153 649 1HG PRO 81 HG2 PRO 81 -2.742 8.294 -20.079 650 2HG PRO 81 HG3 PRO 81 -4.272 8.856 -19.383 651 1HD PRO 81 HD3 PRO 81 -1.847 7.776 -18.010 652 2HD PRO 81 HD2 PRO 81 -2.925 9.102 -17.526 653 H GLY 82 HN GLY 82 -5.963 4.517 -17.052 654 1HA GLY 82 HA1 GLY 82 -5.523 2.118 -17.823 655 2HA GLY 82 HA2 GLY 82 -3.886 2.433 -17.259 656 H LEU 83 HN LEU 83 -3.987 3.532 -14.949 657 HA LEU 83 HA LEU 83 -4.666 1.579 -13.110 658 1HB LEU 83 HB3 LEU 83 -4.470 4.557 -12.616 659 2HB LEU 83 HB2 LEU 83 -4.422 3.321 -11.377 660 HG LEU 83 HG LEU 83 -2.370 3.622 -13.568 661 1HD1 LEU 83 HD21 LEU 83 -0.981 4.319 -11.449 662 2HD1 LEU 83 HD22 LEU 83 -1.951 5.503 -12.325 663 3HD1 LEU 83 HD23 LEU 83 -2.563 4.792 -10.832 664 1HD2 LEU 83 HD11 LEU 83 -2.059 2.078 -11.019 665 2HD2 LEU 83 HD12 LEU 83 -2.765 1.342 -12.456 666 3HD2 LEU 83 HD13 LEU 83 -1.119 1.968 -12.506 667 HA PRO 84 HA PRO 84 -9.037 2.393 -12.578 668 1HB PRO 84 HB2 PRO 84 -9.591 0.249 -11.093 669 2HB PRO 84 HB3 PRO 84 -9.070 0.064 -12.771 670 1HG PRO 84 HG2 PRO 84 -7.582 -0.460 -10.262 671 2HG PRO 84 HG3 PRO 84 -7.383 -1.196 -11.859 672 1HD PRO 84 HD2 PRO 84 -5.865 0.946 -10.697 673 2HD PRO 84 HD3 PRO 84 -5.675 0.221 -12.306 674 H SER 85 HN SER 85 -10.612 2.353 -10.541 675 HA SER 85 HA SER 85 -9.229 3.767 -8.374 676 1HB SER 85 HB3 SER 85 -12.210 3.569 -8.868 677 2HB SER 85 HB2 SER 85 -11.371 4.684 -7.789 678 HG SER 85 HG SER 85 -10.987 4.633 -10.607 679 H PHE 86 HN PHE 86 -8.589 2.361 -6.871 680 HA PHE 86 HA PHE 86 -10.492 0.261 -6.058 681 1HB PHE 86 HB2 PHE 86 -8.885 -1.347 -6.157 682 2HB PHE 86 HB3 PHE 86 -8.189 -0.256 -7.345 683 HD1 PHE 86 HD1 PHE 86 -7.970 -1.402 -3.853 684 HD2 PHE 86 HD2 PHE 86 -6.061 0.763 -6.981 685 HE1 PHE 86 HE1 PHE 86 -5.893 -1.341 -2.532 686 HE2 PHE 86 HE2 PHE 86 -3.986 0.833 -5.661 687 HZ PHE 86 HZ PHE 86 -3.913 -0.221 -3.423 688 H ARG 87 HN ARG 87 -11.063 0.275 -3.897 689 HA ARG 87 HA ARG 87 -9.759 2.179 -2.198 690 1HB ARG 87 HB2 ARG 87 -12.190 0.394 -1.981 691 2HB ARG 87 HB3 ARG 87 -11.672 1.448 -0.689 692 1HG ARG 87 HG3 ARG 87 -13.355 2.635 -1.732 693 2HG ARG 87 HG2 ARG 87 -11.877 3.343 -2.381 694 1HD ARG 87 HD3 ARG 87 -13.357 3.064 -4.199 695 2HD ARG 87 HD2 ARG 87 -12.130 1.808 -4.348 696 HE ARG 87 HE ARG 87 -14.306 0.759 -2.915 697 1HH1 ARG 87 HH12 ARG 87 -14.113 2.045 -6.354 698 2HH1 ARG 87 HH11 ARG 87 -13.571 0.407 -6.596 699 1HH2 ARG 87 HH22 ARG 87 -15.879 -0.536 -3.951 700 2HH2 ARG 87 HH21 ARG 87 -16.209 -0.272 -5.636 701 H ILE 88 HN ILE 88 -9.986 1.242 0.221 702 HA ILE 88 HA ILE 88 -9.019 -1.445 0.530 703 HB ILE 88 HB ILE 88 -7.215 -0.564 2.196 704 1HG1 ILE 88 HG12 ILE 88 -7.326 1.719 0.219 705 2HG1 ILE 88 HG13 ILE 88 -7.697 1.815 1.938 706 1HG2 ILE 88 HG21 ILE 88 -6.378 -0.351 -0.670 707 2HG2 ILE 88 HG22 ILE 88 -5.575 -1.144 0.685 708 3HG2 ILE 88 HG23 ILE 88 -7.007 -1.879 -0.037 709 1HD1 ILE 88 HD11 ILE 88 -5.366 2.551 1.028 710 2HD1 ILE 88 HD12 ILE 88 -5.504 1.679 2.560 711 3HD1 ILE 88 HD13 ILE 88 -5.028 0.820 1.095 712 H LYS 89 HN LYS 89 -10.001 -2.295 2.264 713 HA LYS 89 HA LYS 89 -11.327 -0.372 4.069 714 1HB LYS 89 HB2 LYS 89 -12.188 -3.126 3.167 715 2HB LYS 89 HB3 LYS 89 -13.014 -2.206 4.416 716 1HG LYS 89 HG2 LYS 89 -12.672 -1.377 1.539 717 2HG LYS 89 HG3 LYS 89 -14.123 -2.081 2.251 718 1HD LYS 89 HD2 LYS 89 -12.902 0.488 3.230 719 2HD LYS 89 HD3 LYS 89 -14.153 0.418 1.986 720 1HE LYS 89 HE2 LYS 89 -15.586 -0.824 3.589 721 2HE LYS 89 HE3 LYS 89 -14.359 -0.556 4.827 722 1HZ LYS 89 HZ1 LYS 89 -16.293 1.283 3.695 723 2HZ LYS 89 HZ2 LYS 89 -14.742 1.925 3.933 724 3HZ LYS 89 HZ3 LYS 89 -15.592 1.258 5.243 725 HA PRO 90 HA PRO 90 -9.393 -2.126 7.617 726 1HB PRO 90 HB3 PRO 90 -11.372 -2.079 9.465 727 2HB PRO 90 HB2 PRO 90 -10.583 -0.612 8.876 728 1HG PRO 90 HG3 PRO 90 -13.210 -1.802 8.088 729 2HG PRO 90 HG2 PRO 90 -12.790 -0.106 8.385 730 1HD PRO 90 HD2 PRO 90 -12.985 -1.169 5.890 731 2HD PRO 90 HD3 PRO 90 -11.890 0.169 6.288 732 H LYS 91 HN LYS 91 -10.152 -4.140 5.877 733 HA LYS 91 HA LYS 91 -11.662 -6.123 7.339 734 1HB LYS 91 HB2 LYS 91 -11.579 -5.680 4.767 735 2HB LYS 91 HB3 LYS 91 -10.109 -6.640 4.837 736 1HG LYS 91 HG2 LYS 91 -12.307 -7.811 4.251 737 2HG LYS 91 HG3 LYS 91 -11.237 -8.573 5.432 738 1HD LYS 91 HD3 LYS 91 -12.587 -7.698 7.253 739 2HD LYS 91 HD2 LYS 91 -13.623 -6.851 6.105 740 1HE LYS 91 HE3 LYS 91 -14.429 -8.912 5.206 741 2HE LYS 91 HE2 LYS 91 -13.257 -9.840 6.142 742 1HZ LYS 91 HZ1 LYS 91 -15.564 -8.295 7.205 743 2HZ LYS 91 HZ2 LYS 91 -14.376 -9.009 8.177 744 3HZ LYS 91 HZ3 LYS 91 -15.375 -9.978 7.211 745 H ASP 92 HN ASP 92 -9.375 -5.173 8.618 746 HA ASP 92 HA ASP 92 -7.019 -6.592 8.414 747 1HB ASP 92 HB3 ASP 92 -8.376 -5.615 10.939 748 2HB ASP 92 HB2 ASP 92 -6.687 -6.081 10.816 749 H PHE 93 HN PHE 93 -9.213 -7.184 11.115 750 HA PHE 93 HA PHE 93 -9.534 -9.977 10.633 751 1HB PHE 93 HB3 PHE 93 -8.239 -10.447 12.913 752 2HB PHE 93 HB2 PHE 93 -7.417 -10.476 11.357 753 HD1 PHE 93 HD1 PHE 93 -8.343 -7.921 13.936 754 HD2 PHE 93 HD2 PHE 93 -5.396 -9.444 11.277 755 HE1 PHE 93 HE1 PHE 93 -6.761 -6.209 14.714 756 HE2 PHE 93 HE2 PHE 93 -3.806 -7.739 12.055 757 HZ PHE 93 HZ PHE 93 -4.490 -6.115 13.779 758 H GLU 94 HN GLU 94 -9.077 -9.535 13.918 759 HA GLU 94 HA GLU 94 -11.886 -9.612 14.471 760 1HB GLU 94 HB3 GLU 94 -9.784 -9.098 16.550 761 2HB GLU 94 HB2 GLU 94 -11.279 -10.012 16.691 762 1HG GLU 94 HG2 GLU 94 -10.365 -11.830 15.443 763 2HG GLU 94 HG3 GLU 94 -8.920 -10.896 15.054 764 H THR 95 HN THR 95 -9.992 -7.675 16.600 765 HA THR 95 HA THR 95 -11.587 -5.306 15.877 766 HB THR 95 HB THR 95 -10.054 -5.793 18.441 767 HG1 THR 95 HG1 THR 95 -11.595 -7.048 19.069 768 1HG2 THR 95 HG21 THR 95 -10.977 -3.935 19.282 769 2HG2 THR 95 HG22 THR 95 -12.508 -4.189 18.445 770 3HG2 THR 95 HG23 THR 95 -11.139 -3.480 17.587 771 H SER 96 HN SER 96 -10.590 -3.421 15.323 772 HA SER 96 HA SER 96 -7.782 -3.055 15.730 773 1HB SER 96 HB2 SER 96 -7.844 -4.610 13.779 774 2HB SER 96 HB3 SER 96 -8.816 -3.431 12.900 775 HG SER 96 HG SER 96 -6.475 -3.431 12.495 776 H GLU 97 HN GLU 97 -8.498 -1.590 12.946 777 HA GLU 97 HA GLU 97 -9.349 0.409 12.214 778 1HB GLU 97 HB3 GLU 97 -11.235 0.620 13.573 779 2HB GLU 97 HB2 GLU 97 -10.282 0.529 15.042 780 1HG GLU 97 HG2 GLU 97 -9.344 2.796 14.418 781 2HG GLU 97 HG3 GLU 97 -10.566 2.855 13.153 782 H TYR 98 HN TYR 98 -8.171 0.849 15.475 783 HA TYR 98 HA TYR 98 -6.544 3.029 15.165 784 1HB TYR 98 HB2 TYR 98 -5.910 0.660 16.935 785 2HB TYR 98 HB3 TYR 98 -5.351 2.316 17.163 786 HD1 TYR 98 HD1 TYR 98 -7.520 4.031 16.933 787 HD2 TYR 98 HD2 TYR 98 -7.555 0.063 18.459 788 HE1 TYR 98 HE1 TYR 98 -9.542 4.555 18.226 789 HE2 TYR 98 HE2 TYR 98 -9.581 0.575 19.753 790 HH TYR 98 HH TYR 98 -11.604 2.654 19.250 791 H VAL 99 HN VAL 99 -5.911 -0.139 14.067 792 HA VAL 99 HA VAL 99 -3.071 0.171 13.609 793 HB VAL 99 HB VAL 99 -4.991 -1.858 12.442 794 1HG1 VAL 99 HG21 VAL 99 -2.552 -1.215 11.419 795 2HG1 VAL 99 HG22 VAL 99 -2.133 -2.506 12.548 796 3HG1 VAL 99 HG23 VAL 99 -3.318 -2.798 11.275 797 1HG2 VAL 99 HG11 VAL 99 -2.925 -2.590 14.439 798 2HG2 VAL 99 HG12 VAL 99 -4.341 -1.709 15.017 799 3HG2 VAL 99 HG13 VAL 99 -4.540 -3.250 14.182 800 H ARG 100 HN ARG 100 -5.958 0.168 11.567 801 HA ARG 100 HA ARG 100 -4.628 0.955 9.165 802 1HB ARG 100 HB3 ARG 100 -6.655 -0.340 9.096 803 2HB ARG 100 HB2 ARG 100 -7.525 0.894 9.989 804 1HG ARG 100 HG2 ARG 100 -7.158 2.432 8.062 805 2HG ARG 100 HG3 ARG 100 -6.513 1.051 7.170 806 1HD ARG 100 HD3 ARG 100 -8.761 1.128 6.538 807 2HD ARG 100 HD2 ARG 100 -8.704 -0.126 7.774 808 HE ARG 100 HE ARG 100 -10.192 2.290 7.859 809 1HH1 ARG 100 HH12 ARG 100 -8.602 0.001 10.200 810 2HH1 ARG 100 HH11 ARG 100 -10.198 -0.092 10.868 811 1HH2 ARG 100 HH21 ARG 100 -11.772 2.018 10.081 812 2HH2 ARG 100 HH22 ARG 100 -10.557 3.155 10.616 813 H LYS 101 HN LYS 101 -5.918 2.646 11.889 814 HA LYS 101 HA LYS 101 -6.462 5.152 10.682 815 1HB LYS 101 HB3 LYS 101 -7.147 4.474 13.001 816 2HB LYS 101 HB2 LYS 101 -5.470 4.697 13.489 817 1HG LYS 101 HG2 LYS 101 -6.579 6.670 14.060 818 2HG LYS 101 HG3 LYS 101 -5.666 7.059 12.613 819 1HD LYS 101 HD3 LYS 101 -7.783 8.040 12.303 820 2HD LYS 101 HD2 LYS 101 -7.809 6.567 11.330 821 1HE LYS 101 HE2 LYS 101 -9.012 5.404 13.100 822 2HE LYS 101 HE3 LYS 101 -8.951 6.848 14.108 823 1HZ LYS 101 HZ1 LYS 101 -11.088 6.522 12.933 824 2HZ LYS 101 HZ2 LYS 101 -10.284 6.728 11.454 825 3HZ LYS 101 HZ3 LYS 101 -10.342 8.001 12.576 826 H ALA 102 HN ALA 102 -3.607 3.590 11.931 827 HA ALA 102 HA ALA 102 -1.890 5.850 11.705 828 1HB ALA 102 HB1 ALA 102 -1.589 2.969 12.300 829 2HB ALA 102 HB2 ALA 102 -0.175 3.783 11.629 830 3HB ALA 102 HB3 ALA 102 -0.909 4.376 13.120 831 H TRP 103 HN TRP 103 -2.980 3.296 9.598 832 HA TRP 103 HA TRP 103 -1.049 3.502 7.571 833 1HB TRP 103 HB3 TRP 103 -3.822 2.428 7.715 834 2HB TRP 103 HB2 TRP 103 -3.125 2.703 6.122 835 HD1 TRP 103 HD1 TRP 103 -2.598 0.550 9.272 836 HE1 TRP 103 HE1 TRP 103 -1.149 -1.486 8.617 837 HE3 TRP 103 HE3 TRP 103 -1.427 1.890 4.494 838 HZ2 TRP 103 HZ2 TRP 103 0.311 -2.370 6.360 839 HZ3 TRP 103 HZ3 TRP 103 -0.013 0.409 3.157 840 HH2 TRP 103 HH2 TRP 103 0.844 -1.679 4.069 841 H LEU 104 HN LEU 104 -4.038 5.325 8.164 842 HA LEU 104 HA LEU 104 -4.057 6.707 5.691 843 1HB LEU 104 HB2 LEU 104 -4.898 7.921 8.316 844 2HB LEU 104 HB3 LEU 104 -5.561 8.221 6.722 845 HG LEU 104 HG LEU 104 -5.876 5.632 8.246 846 1HD1 LEU 104 HD11 LEU 104 -7.150 8.112 8.624 847 2HD1 LEU 104 HD12 LEU 104 -8.310 7.037 7.841 848 3HD1 LEU 104 HD13 LEU 104 -7.538 6.555 9.354 849 1HD2 LEU 104 HD21 LEU 104 -6.659 6.549 5.545 850 2HD2 LEU 104 HD22 LEU 104 -6.258 4.933 6.127 851 3HD2 LEU 104 HD23 LEU 104 -7.848 5.619 6.455 852 H ARG 105 HN ARG 105 -3.101 7.827 8.869 853 HA ARG 105 HA ARG 105 -1.706 10.070 8.313 854 1HB ARG 105 HB3 ARG 105 -0.891 7.996 10.356 855 2HB ARG 105 HB2 ARG 105 -0.349 9.669 10.342 856 1HG ARG 105 HG3 ARG 105 -2.712 10.381 10.595 857 2HG ARG 105 HG2 ARG 105 -3.162 8.680 10.752 858 1HD ARG 105 HD2 ARG 105 -1.743 8.461 12.711 859 2HD ARG 105 HD3 ARG 105 -1.225 10.139 12.540 860 HE ARG 105 HE ARG 105 -4.034 10.058 12.721 861 1HH1 ARG 105 HH11 ARG 105 -1.192 10.539 14.852 862 2HH1 ARG 105 HH12 ARG 105 -1.822 9.232 15.820 863 1HH2 ARG 105 HH21 ARG 105 -4.377 11.453 15.278 864 2HH2 ARG 105 HH22 ARG 105 -4.765 9.804 15.680 865 H ASP 106 HN ASP 106 -0.467 6.765 7.929 866 HA ASP 106 HA ASP 106 2.220 7.438 7.371 867 1HB ASP 106 HB2 ASP 106 0.515 5.062 6.645 868 2HB ASP 106 HB3 ASP 106 2.147 5.227 6.011 869 H ILE 107 HN ILE 107 -0.576 6.942 5.254 870 HA ILE 107 HA ILE 107 0.678 7.432 2.801 871 HB ILE 107 HB ILE 107 -2.102 7.401 3.778 872 1HG1 ILE 107 HG13 ILE 107 -2.423 5.999 1.777 873 2HG1 ILE 107 HG12 ILE 107 -0.786 6.374 1.253 874 1HG2 ILE 107 HG21 ILE 107 -3.070 8.399 1.782 875 2HG2 ILE 107 HG22 ILE 107 -2.100 9.578 2.664 876 3HG2 ILE 107 HG23 ILE 107 -1.462 8.829 1.199 877 1HD1 ILE 107 HD11 ILE 107 -1.739 4.454 3.246 878 2HD1 ILE 107 HD12 ILE 107 -0.290 4.435 2.239 879 3HD1 ILE 107 HD13 ILE 107 -0.316 5.382 3.727 880 H ALA 108 HN ALA 108 -0.830 9.672 5.089 881 HA ALA 108 HA ALA 108 -0.612 12.008 3.515 882 1HB ALA 108 HB1 ALA 108 -1.864 12.797 5.161 883 2HB ALA 108 HB2 ALA 108 -1.591 11.309 6.069 884 3HB ALA 108 HB3 ALA 108 -0.499 12.678 6.274 885 H GLU 109 HN GLU 109 1.745 10.252 5.224 886 HA GLU 109 HA GLU 109 3.826 12.058 4.448 887 1HB GLU 109 HB3 GLU 109 4.728 12.296 6.813 888 2HB GLU 109 HB2 GLU 109 3.313 13.264 6.424 889 1HG GLU 109 HG2 GLU 109 1.882 11.695 7.578 890 2HG GLU 109 HG3 GLU 109 3.261 10.650 7.908 891 H GLU 110 HN GLU 110 4.271 10.182 3.322 892 HA GLU 110 HA GLU 110 4.698 7.657 4.417 893 1HB GLU 110 HB2 GLU 110 5.784 7.112 2.314 894 2HB GLU 110 HB3 GLU 110 4.342 8.075 2.019 895 1HG GLU 110 HG2 GLU 110 7.003 9.419 2.192 896 2HG GLU 110 HG3 GLU 110 6.555 8.554 0.727 897 H GLN 111 HN GLN 111 6.602 6.496 4.771 898 HA GLN 111 HA GLN 111 8.632 6.016 5.490 899 1HB GLN 111 HB2 GLN 111 9.299 7.512 3.586 900 2HB GLN 111 HB3 GLN 111 9.478 8.803 4.770 901 1HG GLN 111 HG3 GLN 111 11.595 8.024 4.757 902 2HG GLN 111 HG2 GLN 111 10.891 6.984 5.997 903 1HE2 GLN 111 HE21 GLN 111 12.806 6.979 3.371 904 2HE2 GLN 111 HE22 GLN 111 12.530 5.376 2.773 905 H GLU 112 HN GLU 112 8.510 5.704 7.608 906 HA GLU 112 HA GLU 112 7.854 7.663 9.529 907 1HB GLU 112 HB2 GLU 112 9.447 5.128 9.925 908 2HB GLU 112 HB3 GLU 112 8.651 6.052 11.188 909 1HG GLU 112 HG2 GLU 112 6.479 5.513 10.172 910 2HG GLU 112 HG3 GLU 112 7.315 4.527 8.968 911 H LYS 113 HN LYS 113 10.865 6.481 8.217 912 HA LYS 113 HA LYS 113 12.657 7.616 10.034 913 1HB LYS 113 HB3 LYS 113 12.907 6.787 7.156 914 2HB LYS 113 HB2 LYS 113 14.266 7.480 8.025 915 1HG LYS 113 HG2 LYS 113 14.472 5.113 8.067 916 2HG LYS 113 HG3 LYS 113 14.065 5.653 9.695 917 1HD LYS 113 HD2 LYS 113 11.727 5.016 9.317 918 2HD LYS 113 HD3 LYS 113 12.146 4.470 7.689 919 1HE LYS 113 HE2 LYS 113 13.604 2.777 8.584 920 2HE LYS 113 HE3 LYS 113 13.355 3.381 10.222 921 1HZ LYS 113 HZ1 LYS 113 12.022 1.345 9.355 922 2HZ LYS 113 HZ2 LYS 113 11.022 2.528 8.664 923 3HZ LYS 113 HZ3 LYS 113 11.272 2.503 10.340 924 H TYR 114 HN TYR 114 10.916 9.056 7.388 925 HA TYR 114 HA TYR 114 12.580 11.302 6.999 926 1HB TYR 114 HB3 TYR 114 10.798 10.603 5.419 927 2HB TYR 114 HB2 TYR 114 9.588 11.093 6.600 928 HD1 TYR 114 HD1 TYR 114 9.512 13.543 7.288 929 HD2 TYR 114 HD2 TYR 114 11.694 12.161 3.911 930 HE1 TYR 114 HE1 TYR 114 9.548 15.827 6.390 931 HE2 TYR 114 HE2 TYR 114 11.739 14.446 3.001 932 HH TYR 114 HH TYR 114 9.762 16.827 3.917 933 H ALA 115 HN ALA 115 9.860 10.676 9.159 934 HA ALA 115 HA ALA 115 10.096 13.317 10.360 935 1HB ALA 115 HB1 ALA 115 8.196 12.371 11.822 936 2HB ALA 115 HB2 ALA 115 7.861 12.703 10.122 937 3HB ALA 115 HB3 ALA 115 8.159 11.049 10.655 938 H ALA 116 HN ALA 116 9.927 10.011 11.635 939 HA ALA 116 HA ALA 116 12.300 10.216 13.175 940 1HB ALA 116 HB1 ALA 116 9.690 10.375 14.690 941 2HB ALA 116 HB2 ALA 116 11.274 10.098 15.411 942 3HB ALA 116 HB3 ALA 116 10.927 11.629 14.608 943 H GLU 117 HN GLU 117 13.019 8.207 12.957 944 HA GLU 117 HA GLU 117 11.188 6.038 12.474 945 1HB GLU 117 HB2 GLU 117 13.216 4.666 12.217 946 2HB GLU 117 HB3 GLU 117 13.266 6.117 11.227 947 1HG GLU 117 HG2 GLU 117 14.701 7.179 12.940 948 2HG GLU 117 HG3 GLU 117 14.722 5.648 13.816 949 H ARG 118 HN ARG 118 10.931 4.193 13.716 950 HA ARG 118 HA ARG 118 11.819 4.402 16.510 951 1HB ARG 118 HB2 ARG 118 9.104 3.610 15.455 952 2HB ARG 118 HB3 ARG 118 9.626 3.274 17.097 953 1HG ARG 118 HG3 ARG 118 9.587 5.492 17.716 954 2HG ARG 118 HG2 ARG 118 9.734 6.068 16.053 955 1HD ARG 118 HD2 ARG 118 7.313 4.647 17.151 956 2HD ARG 118 HD3 ARG 118 7.477 6.401 17.065 957 HE ARG 118 HE ARG 118 7.962 5.302 14.524 958 1HH1 ARG 118 HH11 ARG 118 4.709 4.998 16.299 959 2HH1 ARG 118 HH12 ARG 118 4.620 6.686 15.880 960 1HH2 ARG 118 HH21 ARG 118 6.157 4.967 12.970 961 2HH2 ARG 118 HH22 ARG 118 5.221 6.415 13.208 962 H ASP 119 HN ASP 119 11.311 2.189 17.601 963 HA ASP 119 HA ASP 119 12.105 0.087 17.899 964 1HB ASP 119 HB3 ASP 119 10.031 -0.336 16.553 965 2HB ASP 119 HB2 ASP 119 11.044 -0.414 15.113 Start of MODEL 2 1 1H MET 1 HT1 MET 1 20.308 -12.448 6.303 2 2H MET 1 HT2 MET 1 21.358 -12.701 7.636 3 3H MET 1 HT3 MET 1 19.781 -13.398 7.625 4 HA MET 1 HA MET 1 22.150 -14.110 6.061 5 1HB MET 1 HB3 MET 1 20.159 -15.669 7.737 6 2HB MET 1 HB2 MET 1 21.545 -16.367 6.905 7 1HG MET 1 HG3 MET 1 23.018 -14.938 8.280 8 2HG MET 1 HG2 MET 1 21.592 -14.394 9.173 9 1HE MET 1 HE1 MET 1 22.608 -15.707 11.844 10 2HE MET 1 HE2 MET 1 23.934 -16.712 11.288 11 3HE MET 1 HE3 MET 1 23.717 -15.096 10.620 12 H GLY 2 HN GLY 2 18.827 -15.345 6.375 13 1HA GLY 2 HA2 GLY 2 18.838 -15.844 3.504 14 2HA GLY 2 HA1 GLY 2 17.730 -16.536 4.671 15 H ASP 3 HN ASP 3 18.567 -13.668 2.889 16 HA ASP 3 HA ASP 3 17.377 -12.001 1.981 17 1HB ASP 3 HB2 ASP 3 15.902 -13.721 1.124 18 2HB ASP 3 HB3 ASP 3 14.989 -13.742 2.626 19 H THR 4 HN THR 4 17.310 -10.108 2.851 20 HA THR 4 HA THR 4 15.616 -9.638 5.203 21 HB THR 4 HB THR 4 18.334 -8.352 4.841 22 HG1 THR 4 HG1 THR 4 17.619 -10.654 6.358 23 1HG2 THR 4 HG21 THR 4 18.193 -7.704 7.111 24 2HG2 THR 4 HG22 THR 4 16.737 -8.672 7.368 25 3HG2 THR 4 HG23 THR 4 16.675 -7.235 6.352 26 H GLY 5 HN GLY 5 14.980 -9.323 2.534 27 1HA GLY 5 HA1 GLY 5 15.402 -6.596 1.714 28 2HA GLY 5 HA2 GLY 5 14.391 -7.789 0.912 29 H LYS 6 HN LYS 6 12.663 -8.464 3.032 30 HA LYS 6 HA LYS 6 11.103 -5.993 3.103 31 1HB LYS 6 HB2 LYS 6 9.193 -7.390 3.712 32 2HB LYS 6 HB3 LYS 6 9.968 -7.986 2.252 33 1HG LYS 6 HG2 LYS 6 11.022 -9.774 3.504 34 2HG LYS 6 HG3 LYS 6 10.348 -9.148 5.004 35 1HD LYS 6 HD3 LYS 6 8.098 -9.609 4.261 36 2HD LYS 6 HD2 LYS 6 8.683 -10.085 2.667 37 1HE LYS 6 HE3 LYS 6 9.409 -11.512 5.221 38 2HE LYS 6 HE2 LYS 6 8.082 -11.994 4.156 39 1HZ LYS 6 HZ1 LYS 6 10.352 -11.699 2.571 40 2HZ LYS 6 HZ2 LYS 6 9.534 -13.132 2.976 41 3HZ LYS 6 HZ3 LYS 6 10.832 -12.601 3.927 42 H LEU 7 HN LEU 7 13.182 -7.692 5.083 43 HA LEU 7 HA LEU 7 11.909 -7.065 7.599 44 1HB LEU 7 HB3 LEU 7 13.544 -9.029 6.943 45 2HB LEU 7 HB2 LEU 7 14.782 -7.841 7.349 46 HG LEU 7 HG LEU 7 12.594 -8.750 9.230 47 1HD1 LEU 7 HD21 LEU 7 14.318 -10.029 10.374 48 2HD1 LEU 7 HD22 LEU 7 14.096 -10.594 8.724 49 3HD1 LEU 7 HD23 LEU 7 15.487 -9.587 9.143 50 1HD2 LEU 7 HD11 LEU 7 14.094 -7.744 10.959 51 2HD2 LEU 7 HD12 LEU 7 15.027 -7.030 9.646 52 3HD2 LEU 7 HD13 LEU 7 13.343 -6.581 9.861 53 H GLY 8 HN GLY 8 11.681 -4.800 7.298 54 1HA GLY 8 HA1 GLY 8 13.660 -3.220 8.501 55 2HA GLY 8 HA2 GLY 8 13.783 -3.013 6.749 56 H ARG 9 HN ARG 9 11.237 -3.171 5.940 57 HA ARG 9 HA ARG 9 9.437 -1.865 5.506 58 1HB ARG 9 HB3 ARG 9 9.316 -1.916 8.518 59 2HB ARG 9 HB2 ARG 9 7.989 -1.411 7.460 60 1HG ARG 9 HG2 ARG 9 7.813 -3.585 6.514 61 2HG ARG 9 HG3 ARG 9 9.280 -4.116 7.340 62 1HD ARG 9 HD3 ARG 9 6.870 -3.111 8.819 63 2HD ARG 9 HD2 ARG 9 7.055 -4.810 8.374 64 HE ARG 9 HE ARG 9 9.344 -3.840 9.766 65 1HH1 ARG 9 HH12 ARG 9 5.903 -4.780 10.860 66 2HH1 ARG 9 HH11 ARG 9 6.769 -6.296 10.830 67 1HH2 ARG 9 HH21 ARG 9 9.575 -5.351 11.870 68 2HH2 ARG 9 HH22 ARG 9 8.573 -4.279 12.808 69 H ILE 10 HN ILE 10 10.934 -0.196 4.716 70 HA ILE 10 HA ILE 10 11.765 2.012 6.174 71 HB ILE 10 HB ILE 10 12.537 1.491 3.913 72 1HG1 ILE 10 HG13 ILE 10 12.399 3.919 4.979 73 2HG1 ILE 10 HG12 ILE 10 13.018 3.664 3.353 74 1HG2 ILE 10 HG21 ILE 10 9.695 1.778 3.287 75 2HG2 ILE 10 HG22 ILE 10 10.776 2.563 2.134 76 3HG2 ILE 10 HG23 ILE 10 10.973 0.847 2.471 77 1HD1 ILE 10 HD11 ILE 10 11.546 5.135 2.620 78 2HD1 ILE 10 HD12 ILE 10 10.248 4.044 3.106 79 3HD1 ILE 10 HD13 ILE 10 10.846 5.273 4.217 80 H ILE 11 HN ILE 11 8.644 1.326 4.663 81 HA ILE 11 HA ILE 11 7.557 3.717 5.993 82 HB ILE 11 HB ILE 11 6.571 2.396 3.455 83 1HG1 ILE 11 HG13 ILE 11 7.549 5.225 3.945 84 2HG1 ILE 11 HG12 ILE 11 8.527 3.940 3.225 85 1HG2 ILE 11 HG21 ILE 11 4.726 3.883 3.442 86 2HG2 ILE 11 HG22 ILE 11 4.765 3.154 5.049 87 3HG2 ILE 11 HG23 ILE 11 5.353 4.798 4.807 88 1HD1 ILE 11 HD11 ILE 11 5.939 4.489 1.950 89 2HD1 ILE 11 HD12 ILE 11 7.165 5.741 1.817 90 3HD1 ILE 11 HD13 ILE 11 7.487 4.108 1.230 91 H ARG 12 HN ARG 12 5.785 1.021 4.511 92 HA ARG 12 HA ARG 12 5.145 -0.148 7.106 93 1HB ARG 12 HB2 ARG 12 3.222 1.367 5.401 94 2HB ARG 12 HB3 ARG 12 2.646 -0.014 6.310 95 1HG ARG 12 HG3 ARG 12 3.941 2.421 7.470 96 2HG ARG 12 HG2 ARG 12 2.220 2.077 7.433 97 1HD ARG 12 HD2 ARG 12 2.489 1.166 9.443 98 2HD ARG 12 HD3 ARG 12 3.256 -0.175 8.593 99 HE ARG 12 HE ARG 12 5.272 1.634 8.973 100 1HH1 ARG 12 HH12 ARG 12 2.948 0.394 11.398 101 2HH1 ARG 12 HH11 ARG 12 4.206 -0.682 11.933 102 1HH2 ARG 12 HH22 ARG 12 6.835 0.848 10.907 103 2HH2 ARG 12 HH21 ARG 12 6.002 1.913 12.015 104 H HIS 13 HN HIS 13 3.212 -1.722 6.659 105 HA HIS 13 HA HIS 13 2.807 -2.929 4.218 106 1HB HIS 13 HB2 HIS 13 4.122 -4.816 4.045 107 2HB HIS 13 HB3 HIS 13 5.268 -3.601 4.580 108 HD1 HIS 13 HD1 HIS 13 6.528 -6.011 4.934 109 HD2 HIS 13 HD2 HIS 13 3.584 -4.984 7.695 110 HE1 HIS 13 HE1 HIS 13 6.890 -7.522 6.910 111 HE2 HIS 13 HE2 HIS 13 5.015 -6.989 8.503 112 H ASP 14 HN ASP 14 1.095 -4.330 4.328 113 HA ASP 14 HA ASP 14 0.279 -5.714 6.672 114 1HB ASP 14 HB3 ASP 14 -0.181 -3.128 7.120 115 2HB ASP 14 HB2 ASP 14 -1.614 -3.428 6.135 116 H ALA 15 HN ALA 15 -2.450 -5.901 6.246 117 HA ALA 15 HA ALA 15 -2.707 -6.549 3.386 118 1HB ALA 15 HB1 ALA 15 -3.810 -8.722 4.133 119 2HB ALA 15 HB2 ALA 15 -2.056 -8.616 4.292 120 3HB ALA 15 HB3 ALA 15 -3.089 -8.424 5.704 121 H PHE 16 HN PHE 16 -4.786 -6.450 2.546 122 HA PHE 16 HA PHE 16 -6.998 -5.792 4.348 123 1HB PHE 16 HB2 PHE 16 -6.164 -4.102 1.988 124 2HB PHE 16 HB3 PHE 16 -7.718 -3.953 2.805 125 HD1 PHE 16 HD1 PHE 16 -7.620 -3.537 5.383 126 HD2 PHE 16 HD2 PHE 16 -4.374 -2.843 2.719 127 HE1 PHE 16 HE1 PHE 16 -6.584 -2.038 7.046 128 HE2 PHE 16 HE2 PHE 16 -3.331 -1.344 4.373 129 HZ PHE 16 HZ PHE 16 -4.437 -0.934 6.539 130 H GLN 17 HN GLN 17 -9.069 -6.087 3.396 131 HA GLN 17 HA GLN 17 -9.054 -7.661 0.920 132 1HB GLN 17 HB3 GLN 17 -9.296 -9.192 2.862 133 2HB GLN 17 HB2 GLN 17 -10.712 -8.291 3.370 134 1HG GLN 17 HG2 GLN 17 -11.904 -8.944 1.389 135 2HG GLN 17 HG3 GLN 17 -10.467 -9.702 0.723 136 1HE2 GLN 17 HE21 GLN 17 -10.778 -11.801 0.692 137 2HE2 GLN 17 HE22 GLN 17 -11.451 -12.754 1.980 138 H VAL 18 HN VAL 18 -9.688 -5.988 -0.241 139 HA VAL 18 HA VAL 18 -12.403 -4.979 0.229 140 HB VAL 18 HB VAL 18 -11.154 -2.825 -0.883 141 1HG1 VAL 18 HG21 VAL 18 -11.997 -3.584 1.864 142 2HG1 VAL 18 HG22 VAL 18 -11.234 -2.034 1.595 143 3HG1 VAL 18 HG23 VAL 18 -12.712 -2.428 0.740 144 1HG2 VAL 18 HG11 VAL 18 -9.023 -2.601 -0.270 145 2HG2 VAL 18 HG12 VAL 18 -9.320 -3.261 1.343 146 3HG2 VAL 18 HG13 VAL 18 -9.049 -4.339 -0.030 147 H TRP 19 HN TRP 19 -12.721 -3.321 -1.770 148 HA TRP 19 HA TRP 19 -12.840 -5.102 -4.045 149 1HB TRP 19 HB2 TRP 19 -14.023 -2.354 -3.738 150 2HB TRP 19 HB3 TRP 19 -14.534 -3.624 -4.837 151 HD1 TRP 19 HD1 TRP 19 -16.019 -5.622 -3.798 152 HE1 TRP 19 HE1 TRP 19 -17.462 -5.736 -1.664 153 HE3 TRP 19 HE3 TRP 19 -14.033 -1.645 -1.264 154 HZ2 TRP 19 HZ2 TRP 19 -17.714 -4.324 0.762 155 HZ3 TRP 19 HZ3 TRP 19 -14.924 -1.090 0.958 156 HH2 TRP 19 HH2 TRP 19 -16.728 -2.414 1.950 157 H GLU 20 HN GLU 20 -11.583 -4.992 -5.696 158 HA GLU 20 HA GLU 20 -9.920 -2.621 -6.270 159 1HB GLU 20 HB2 GLU 20 -9.175 -5.219 -5.945 160 2HB GLU 20 HB3 GLU 20 -9.527 -5.217 -7.681 161 1HG GLU 20 HG2 GLU 20 -7.836 -3.667 -8.131 162 2HG GLU 20 HG3 GLU 20 -7.657 -3.234 -6.418 163 H GLY 21 HN GLY 21 -10.631 -1.389 -8.182 164 1HA GLY 21 HA1 GLY 21 -12.977 -2.012 -9.444 165 2HA GLY 21 HA2 GLY 21 -11.735 -0.954 -10.085 166 H ASP 22 HN ASP 22 -13.630 -3.248 -10.954 167 HA ASP 22 HA ASP 22 -13.759 -4.653 -12.709 168 1HB ASP 22 HB2 ASP 22 -10.990 -3.618 -13.335 169 2HB ASP 22 HB3 ASP 22 -11.878 -4.756 -14.357 170 H GLU 23 HN GLU 23 -12.454 -5.263 -10.068 171 HA GLU 23 HA GLU 23 -11.605 -7.975 -10.782 172 1HB GLU 23 HB2 GLU 23 -10.044 -5.986 -9.161 173 2HB GLU 23 HB3 GLU 23 -9.888 -7.701 -8.834 174 1HG GLU 23 HG2 GLU 23 -9.451 -6.535 -11.560 175 2HG GLU 23 HG3 GLU 23 -8.167 -6.671 -10.374 176 HA PRO 24 HA PRO 24 -14.369 -8.839 -7.428 177 1HB PRO 24 HB2 PRO 24 -13.583 -11.303 -6.665 178 2HB PRO 24 HB3 PRO 24 -14.349 -11.023 -8.250 179 1HG PRO 24 HG3 PRO 24 -11.421 -11.244 -7.579 180 2HG PRO 24 HG2 PRO 24 -12.328 -12.070 -8.865 181 1HD PRO 24 HD3 PRO 24 -10.883 -9.849 -9.351 182 2HD PRO 24 HD2 PRO 24 -12.421 -10.180 -10.206 183 HA PRO 25 HA PRO 25 -12.436 -7.582 -3.626 184 1HB PRO 25 HB3 PRO 25 -13.771 -9.290 -1.862 185 2HB PRO 25 HB2 PRO 25 -14.329 -7.701 -2.370 186 1HG PRO 25 HG3 PRO 25 -15.138 -10.390 -3.347 187 2HG PRO 25 HG2 PRO 25 -16.102 -8.909 -3.179 188 1HD PRO 25 HD2 PRO 25 -15.226 -9.802 -5.572 189 2HD PRO 25 HD3 PRO 25 -15.387 -8.073 -5.206 190 H LYS 26 HN LYS 26 -10.597 -8.207 -2.555 191 HA LYS 26 HA LYS 26 -9.997 -11.017 -2.239 192 1HB LYS 26 HB2 LYS 26 -7.958 -10.935 -3.566 193 2HB LYS 26 HB3 LYS 26 -9.359 -10.547 -4.564 194 1HG LYS 26 HG3 LYS 26 -8.860 -8.166 -4.326 195 2HG LYS 26 HG2 LYS 26 -7.449 -8.574 -3.350 196 1HD LYS 26 HD3 LYS 26 -6.584 -8.180 -5.481 197 2HD LYS 26 HD2 LYS 26 -6.675 -9.944 -5.368 198 1HE LYS 26 HE3 LYS 26 -8.598 -10.015 -6.743 199 2HE LYS 26 HE2 LYS 26 -8.845 -8.274 -6.624 200 1HZ LYS 26 HZ1 LYS 26 -7.749 -9.254 -8.744 201 2HZ LYS 26 HZ2 LYS 26 -6.352 -9.313 -7.789 202 3HZ LYS 26 HZ3 LYS 26 -7.104 -7.831 -8.051 203 H LEU 27 HN LEU 27 -8.204 -11.454 -0.954 204 HA LEU 27 HA LEU 27 -7.500 -9.335 0.903 205 1HB LEU 27 HB3 LEU 27 -8.098 -11.583 1.732 206 2HB LEU 27 HB2 LEU 27 -6.765 -12.264 0.842 207 HG LEU 27 HG LEU 27 -5.159 -11.185 2.285 208 1HD1 LEU 27 HD21 LEU 27 -5.789 -9.793 4.165 209 2HD1 LEU 27 HD22 LEU 27 -6.360 -9.085 2.660 210 3HD1 LEU 27 HD23 LEU 27 -7.494 -9.919 3.705 211 1HD2 LEU 27 HD11 LEU 27 -5.689 -12.244 4.413 212 2HD2 LEU 27 HD12 LEU 27 -7.347 -12.450 3.907 213 3HD2 LEU 27 HD13 LEU 27 -6.072 -13.298 3.063 214 H ARG 28 HN ARG 28 -6.280 -8.042 -0.526 215 HA ARG 28 HA ARG 28 -3.832 -9.187 -1.618 216 1HB ARG 28 HB3 ARG 28 -3.672 -7.305 -3.010 217 2HB ARG 28 HB2 ARG 28 -5.395 -7.653 -2.959 218 1HG ARG 28 HG3 ARG 28 -4.038 -5.590 -1.246 219 2HG ARG 28 HG2 ARG 28 -4.750 -5.244 -2.815 220 1HD ARG 28 HD3 ARG 28 -6.211 -6.242 -0.358 221 2HD ARG 28 HD2 ARG 28 -6.275 -4.623 -1.043 222 HE ARG 28 HE ARG 28 -7.801 -6.883 -1.864 223 1HH1 ARG 28 HH12 ARG 28 -6.964 -3.517 -3.206 224 2HH1 ARG 28 HH11 ARG 28 -6.426 -4.526 -4.545 225 1HH2 ARG 28 HH22 ARG 28 -9.640 -5.880 -3.520 226 2HH2 ARG 28 HH21 ARG 28 -8.593 -6.096 -4.890 227 H TYR 29 HN TYR 29 -1.776 -8.274 -1.167 228 HA TYR 29 HA TYR 29 -1.662 -7.151 1.528 229 1HB TYR 29 HB2 TYR 29 0.448 -8.469 -0.175 230 2HB TYR 29 HB3 TYR 29 0.758 -7.774 1.408 231 HD1 TYR 29 HD1 TYR 29 1.635 -10.199 1.644 232 HD2 TYR 29 HD2 TYR 29 -2.488 -9.205 1.373 233 HE1 TYR 29 HE1 TYR 29 1.059 -12.328 2.716 234 HE2 TYR 29 HE2 TYR 29 -3.078 -11.335 2.454 235 HH TYR 29 HH TYR 29 -0.567 -13.504 3.696 236 H VAL 30 HN VAL 30 -0.643 -5.313 2.039 237 HA VAL 30 HA VAL 30 0.061 -3.531 -0.213 238 HB VAL 30 HB VAL 30 -1.033 -2.629 2.441 239 1HG1 VAL 30 HG21 VAL 30 0.266 -0.959 1.179 240 2HG1 VAL 30 HG22 VAL 30 -0.828 -1.167 -0.184 241 3HG1 VAL 30 HG23 VAL 30 -1.428 -0.517 1.341 242 1HG2 VAL 30 HG11 VAL 30 -2.425 -3.524 -0.021 243 2HG2 VAL 30 HG12 VAL 30 -2.895 -3.696 1.673 244 3HG2 VAL 30 HG13 VAL 30 -3.092 -2.151 0.850 245 H PHE 31 HN PHE 31 2.170 -3.076 -0.303 246 HA PHE 31 HA PHE 31 3.615 -2.708 2.254 247 1HB PHE 31 HB2 PHE 31 4.904 -3.728 -0.274 248 2HB PHE 31 HB3 PHE 31 5.558 -3.763 1.358 249 HD1 PHE 31 HD1 PHE 31 3.432 -5.403 -1.088 250 HD2 PHE 31 HD2 PHE 31 4.763 -5.467 2.956 251 HE1 PHE 31 HE1 PHE 31 2.632 -7.716 -0.861 252 HE2 PHE 31 HE2 PHE 31 3.964 -7.782 3.186 253 HZ PHE 31 HZ PHE 31 2.903 -8.906 1.276 254 H LEU 32 HN LEU 32 4.072 -0.520 2.391 255 HA LEU 32 HA LEU 32 4.547 0.876 -0.139 256 1HB LEU 32 HB2 LEU 32 4.683 2.405 2.391 257 2HB LEU 32 HB3 LEU 32 3.956 2.819 0.846 258 HG LEU 32 HG LEU 32 2.726 0.980 2.902 259 1HD1 LEU 32 HD11 LEU 32 1.217 3.337 2.443 260 2HD1 LEU 32 HD12 LEU 32 2.034 2.837 3.931 261 3HD1 LEU 32 HD13 LEU 32 2.874 3.832 2.742 262 1HD2 LEU 32 HD21 LEU 32 1.185 0.449 1.381 263 2HD2 LEU 32 HD22 LEU 32 0.963 2.138 0.929 264 3HD2 LEU 32 HD23 LEU 32 2.232 1.183 0.166 265 H PHE 33 HN PHE 33 6.573 0.968 -0.848 266 HA PHE 33 HA PHE 33 8.743 1.270 1.129 267 1HB PHE 33 HB3 PHE 33 8.483 -0.748 -1.061 268 2HB PHE 33 HB2 PHE 33 10.082 -0.145 -0.645 269 HD1 PHE 33 HD1 PHE 33 7.052 -1.335 1.229 270 HD2 PHE 33 HD2 PHE 33 11.275 -1.482 0.743 271 HE1 PHE 33 HE1 PHE 33 7.209 -2.932 3.090 272 HE2 PHE 33 HE2 PHE 33 11.432 -3.077 2.604 273 HZ PHE 33 HZ PHE 33 9.398 -3.800 3.777 274 H ARG 34 HN ARG 34 10.155 2.785 0.733 275 HA ARG 34 HA ARG 34 11.290 4.499 -0.175 276 1HB ARG 34 HB2 ARG 34 11.693 2.406 -1.858 277 2HB ARG 34 HB3 ARG 34 11.029 3.594 -2.971 278 1HG ARG 34 HG2 ARG 34 13.390 4.066 -1.152 279 2HG ARG 34 HG3 ARG 34 13.500 3.612 -2.857 280 1HD ARG 34 HD2 ARG 34 12.549 5.658 -3.564 281 2HD ARG 34 HD3 ARG 34 12.048 6.080 -1.918 282 HE ARG 34 HE ARG 34 14.842 5.785 -1.937 283 1HH1 ARG 34 HH12 ARG 34 12.479 8.492 -2.926 284 2HH1 ARG 34 HH11 ARG 34 13.553 8.427 -4.310 285 1HH2 ARG 34 HH22 ARG 34 16.233 7.640 -2.047 286 2HH2 ARG 34 HH21 ARG 34 15.536 9.178 -2.471 287 H ASN 35 HN ASN 35 9.645 4.121 -3.223 288 HA ASN 35 HA ASN 35 7.982 6.481 -2.651 289 1HB ASN 35 HB2 ASN 35 8.470 7.259 -5.011 290 2HB ASN 35 HB3 ASN 35 9.832 7.388 -3.904 291 1HD2 ASN 35 HD21 ASN 35 11.579 7.084 -5.090 292 2HD2 ASN 35 HD22 ASN 35 11.811 5.819 -6.253 293 H LYS 36 HN LYS 36 7.382 3.559 -2.834 294 HA LYS 36 HA LYS 36 5.158 3.846 -4.653 295 1HB LYS 36 HB3 LYS 36 5.688 1.747 -5.897 296 2HB LYS 36 HB2 LYS 36 6.755 3.099 -6.266 297 1HG LYS 36 HG3 LYS 36 8.304 1.442 -6.076 298 2HG LYS 36 HG2 LYS 36 8.253 1.958 -4.399 299 1HD LYS 36 HD3 LYS 36 6.672 0.160 -3.889 300 2HD LYS 36 HD2 LYS 36 6.729 -0.370 -5.560 301 1HE LYS 36 HE3 LYS 36 9.072 -0.300 -3.666 302 2HE LYS 36 HE2 LYS 36 8.157 -1.741 -4.113 303 1HZ LYS 36 HZ1 LYS 36 9.030 -1.762 -6.225 304 2HZ LYS 36 HZ2 LYS 36 10.352 -1.208 -5.327 305 3HZ LYS 36 HZ3 LYS 36 9.420 -0.112 -6.219 306 H ILE 37 HN ILE 37 3.720 1.966 -4.648 307 HA ILE 37 HA ILE 37 3.722 0.681 -1.994 308 HB ILE 37 HB ILE 37 1.407 1.345 -3.822 309 1HG1 ILE 37 HG13 ILE 37 2.067 2.336 -1.049 310 2HG1 ILE 37 HG12 ILE 37 2.347 3.237 -2.534 311 1HG2 ILE 37 HG21 ILE 37 1.514 -0.310 -1.324 312 2HG2 ILE 37 HG22 ILE 37 0.045 0.543 -1.802 313 3HG2 ILE 37 HG23 ILE 37 0.756 -0.683 -2.865 314 1HD1 ILE 37 HD11 ILE 37 -0.326 2.369 -1.464 315 2HD1 ILE 37 HD12 ILE 37 0.342 4.009 -1.448 316 3HD1 ILE 37 HD13 ILE 37 -0.059 3.220 -2.981 317 H MET 38 HN MET 38 4.450 -1.316 -2.174 318 HA MET 38 HA MET 38 4.259 -2.829 -4.613 319 1HB MET 38 HB3 MET 38 6.232 -2.982 -3.094 320 2HB MET 38 HB2 MET 38 5.186 -3.707 -1.867 321 1HG MET 38 HG2 MET 38 4.739 -5.584 -3.358 322 2HG MET 38 HG3 MET 38 5.793 -4.875 -4.573 323 1HE MET 38 HE1 MET 38 6.357 -7.237 -4.531 324 2HE MET 38 HE2 MET 38 8.070 -7.413 -4.170 325 3HE MET 38 HE3 MET 38 6.862 -8.148 -3.114 326 H PHE 39 HN PHE 39 2.691 -4.180 -5.149 327 HA PHE 39 HA PHE 39 0.738 -4.939 -3.081 328 1HB PHE 39 HB3 PHE 39 0.433 -3.535 -5.510 329 2HB PHE 39 HB2 PHE 39 -0.318 -5.101 -5.745 330 HD1 PHE 39 HD1 PHE 39 -0.142 -2.985 -2.695 331 HD2 PHE 39 HD2 PHE 39 -2.569 -4.693 -5.730 332 HE1 PHE 39 HE1 PHE 39 -2.142 -2.159 -1.544 333 HE2 PHE 39 HE2 PHE 39 -4.599 -3.876 -4.585 334 HZ PHE 39 HZ PHE 39 -4.371 -2.618 -2.471 335 H THR 40 HN THR 40 0.314 -7.020 -2.816 336 HA THR 40 HA THR 40 1.079 -8.949 -4.881 337 HB THR 40 HB THR 40 1.714 -9.358 -1.950 338 HG1 THR 40 HG1 THR 40 3.054 -7.886 -3.744 339 1HG2 THR 40 HG21 THR 40 2.290 -10.909 -4.429 340 2HG2 THR 40 HG22 THR 40 1.625 -11.462 -2.891 341 3HG2 THR 40 HG23 THR 40 3.327 -11.042 -3.007 342 H GLU 41 HN GLU 41 -0.475 -10.507 -5.149 343 HA GLU 41 HA GLU 41 -2.781 -10.335 -3.343 344 1HB GLU 41 HB2 GLU 41 -2.471 -11.215 -6.207 345 2HB GLU 41 HB3 GLU 41 -3.952 -11.488 -5.286 346 1HG GLU 41 HG3 GLU 41 -4.321 -9.155 -5.033 347 2HG GLU 41 HG2 GLU 41 -2.719 -8.771 -5.658 348 H GLN 42 HN GLN 42 -3.284 -11.896 -2.059 349 HA GLN 42 HA GLN 42 -2.653 -14.668 -2.670 350 1HB GLN 42 HB2 GLN 42 -1.657 -13.166 -0.276 351 2HB GLN 42 HB3 GLN 42 -2.073 -14.874 -0.117 352 1HG GLN 42 HG3 GLN 42 -0.469 -15.452 -1.835 353 2HG GLN 42 HG2 GLN 42 -0.088 -13.742 -2.078 354 1HE2 GLN 42 HE21 GLN 42 0.572 -16.544 -0.320 355 2HE2 GLN 42 HE22 GLN 42 1.577 -15.870 0.898 356 H ASP 43 HN ASP 43 -4.821 -14.800 -3.096 357 HA ASP 43 HA ASP 43 -6.583 -14.531 -0.801 358 1HB ASP 43 HB2 ASP 43 -6.936 -13.009 -2.862 359 2HB ASP 43 HB3 ASP 43 -7.499 -14.479 -3.660 360 H ALA 44 HN ALA 44 -7.981 -16.174 -0.413 361 HA ALA 44 HA ALA 44 -8.772 -18.236 -0.321 362 1HB ALA 44 HB1 ALA 44 -9.522 -19.155 -2.197 363 2HB ALA 44 HB2 ALA 44 -8.783 -17.791 -3.014 364 3HB ALA 44 HB3 ALA 44 -7.898 -19.298 -2.874 365 H SER 45 HN SER 45 -7.717 -19.349 1.152 366 HA SER 45 HA SER 45 -4.944 -19.994 0.857 367 1HB SER 45 HB2 SER 45 -5.349 -21.133 3.097 368 2HB SER 45 HB3 SER 45 -5.643 -19.414 3.031 369 HG SER 45 HG SER 45 -7.513 -19.972 3.851 370 H THR 46 HN THR 46 -7.513 -21.382 -0.541 371 HA THR 46 HA THR 46 -6.494 -24.127 -0.227 372 HB THR 46 HB THR 46 -8.656 -24.769 -1.377 373 HG1 THR 46 HG1 THR 46 -9.916 -23.263 -2.088 374 1HG2 THR 46 HG21 THR 46 -8.963 -25.136 0.829 375 2HG2 THR 46 HG22 THR 46 -10.113 -23.827 0.615 376 3HG2 THR 46 HG23 THR 46 -8.523 -23.488 1.271 377 H SER 47 HN SER 47 -7.911 -22.121 -2.773 378 HA SER 47 HA SER 47 -5.753 -22.947 -4.600 379 1HB SER 47 HB3 SER 47 -7.815 -24.192 -5.172 380 2HB SER 47 HB2 SER 47 -8.706 -22.675 -5.289 381 HG SER 47 HG SER 47 -7.821 -23.669 -7.303 382 HA PRO 48 HA PRO 48 -5.892 -18.340 -4.201 383 1HB PRO 48 HB2 PRO 48 -3.136 -18.493 -5.204 384 2HB PRO 48 HB3 PRO 48 -3.748 -17.773 -3.730 385 1HG PRO 48 HG3 PRO 48 -2.294 -20.055 -3.765 386 2HG PRO 48 HG2 PRO 48 -3.518 -19.691 -2.510 387 1HD PRO 48 HD2 PRO 48 -3.670 -21.531 -4.867 388 2HD PRO 48 HD3 PRO 48 -4.411 -21.687 -3.253 389 HA PRO 49 HA PRO 49 -6.336 -18.147 -8.688 390 1HB PRO 49 HB2 PRO 49 -8.720 -16.838 -8.661 391 2HB PRO 49 HB3 PRO 49 -8.568 -18.581 -8.459 392 1HG PRO 49 HG2 PRO 49 -9.357 -16.592 -6.509 393 2HG PRO 49 HG3 PRO 49 -9.443 -18.359 -6.390 394 1HD PRO 49 HD3 PRO 49 -7.446 -16.523 -5.294 395 2HD PRO 49 HD2 PRO 49 -7.731 -18.236 -4.925 396 H SER 50 HN SER 50 -6.423 -15.611 -6.310 397 HA SER 50 HA SER 50 -6.063 -13.582 -8.380 398 1HB SER 50 HB3 SER 50 -6.396 -13.109 -5.425 399 2HB SER 50 HB2 SER 50 -6.625 -11.965 -6.736 400 HG SER 50 HG SER 50 -8.365 -13.446 -7.452 401 H TYR 51 HN TYR 51 -4.114 -13.025 -8.926 402 HA TYR 51 HA TYR 51 -2.042 -12.652 -6.911 403 1HB TYR 51 HB3 TYR 51 -1.927 -15.043 -8.063 404 2HB TYR 51 HB2 TYR 51 -1.227 -14.124 -9.400 405 HD1 TYR 51 HD1 TYR 51 0.536 -12.226 -8.316 406 HD2 TYR 51 HD2 TYR 51 -0.296 -16.121 -6.833 407 HE1 TYR 51 HE1 TYR 51 2.742 -12.278 -7.236 408 HE2 TYR 51 HE2 TYR 51 1.901 -16.171 -5.738 409 HH TYR 51 HH TYR 51 3.783 -15.120 -5.355 410 H THR 52 HN THR 52 -2.896 -12.617 -10.305 411 HA THR 52 HA THR 52 -2.449 -11.262 -12.055 412 HB THR 52 HB THR 52 -2.684 -8.881 -10.294 413 HG1 THR 52 HG1 THR 52 -4.252 -9.816 -9.257 414 1HG2 THR 52 HG21 THR 52 -2.878 -9.055 -12.914 415 2HG2 THR 52 HG22 THR 52 -3.869 -7.942 -11.976 416 3HG2 THR 52 HG23 THR 52 -4.534 -9.516 -12.521 417 H HIS 53 HN HIS 53 -0.090 -12.062 -11.739 418 HA HIS 53 HA HIS 53 2.148 -11.648 -11.910 419 1HB HIS 53 HB2 HIS 53 1.412 -8.814 -12.642 420 2HB HIS 53 HB3 HIS 53 2.794 -9.756 -13.188 421 HD1 HIS 53 HD1 HIS 53 1.843 -12.083 -14.598 422 HD2 HIS 53 HD2 HIS 53 -0.414 -8.587 -14.569 423 HE1 HIS 53 HE1 HIS 53 0.289 -12.257 -16.575 424 HE2 HIS 53 HE2 HIS 53 -1.094 -10.147 -16.509 425 H TYR 54 HN TYR 54 2.703 -8.510 -11.555 426 HA TYR 54 HA TYR 54 2.882 -8.545 -8.628 427 1HB TYR 54 HB3 TYR 54 5.026 -8.028 -10.644 428 2HB TYR 54 HB2 TYR 54 5.029 -7.084 -9.156 429 HD1 TYR 54 HD1 TYR 54 4.679 -10.661 -10.210 430 HD2 TYR 54 HD2 TYR 54 6.250 -7.879 -7.413 431 HE1 TYR 54 HE1 TYR 54 5.807 -12.499 -9.026 432 HE2 TYR 54 HE2 TYR 54 7.379 -9.701 -6.219 433 HH TYR 54 HH TYR 54 7.943 -12.658 -7.495 434 H SER 55 HN SER 55 1.074 -7.211 -8.466 435 HA SER 55 HA SER 55 0.668 -4.890 -10.017 436 1HB SER 55 HB2 SER 55 -1.127 -6.043 -8.782 437 2HB SER 55 HB3 SER 55 -0.377 -5.582 -7.260 438 HG SER 55 HG SER 55 -1.975 -4.125 -7.664 439 H SER 56 HN SER 56 1.386 -2.815 -9.769 440 HA SER 56 HA SER 56 2.851 -2.151 -7.310 441 1HB SER 56 HB2 SER 56 4.472 -2.935 -9.051 442 2HB SER 56 HB3 SER 56 3.933 -1.614 -10.090 443 HG SER 56 HG SER 56 5.616 -0.733 -9.079 444 H ILE 57 HN ILE 57 2.412 -0.218 -6.572 445 HA ILE 57 HA ILE 57 0.932 1.677 -8.282 446 HB ILE 57 HB ILE 57 0.717 0.953 -5.378 447 1HG1 ILE 57 HG13 ILE 57 -0.798 0.032 -7.199 448 2HG1 ILE 57 HG12 ILE 57 -1.609 0.775 -5.815 449 1HG2 ILE 57 HG21 ILE 57 -0.900 3.200 -5.692 450 2HG2 ILE 57 HG22 ILE 57 0.555 3.071 -4.709 451 3HG2 ILE 57 HG23 ILE 57 0.667 3.658 -6.370 452 1HD1 ILE 57 HD11 ILE 57 -2.775 1.928 -7.309 453 2HD1 ILE 57 HD12 ILE 57 -1.317 2.861 -7.590 454 3HD1 ILE 57 HD13 ILE 57 -1.690 1.486 -8.622 455 H ARG 58 HN ARG 58 1.756 3.780 -8.426 456 HA ARG 58 HA ARG 58 4.420 4.121 -7.304 457 1HB ARG 58 HB2 ARG 58 4.673 5.919 -8.859 458 2HB ARG 58 HB3 ARG 58 3.949 4.571 -9.715 459 1HG ARG 58 HG3 ARG 58 1.758 5.637 -9.561 460 2HG ARG 58 HG2 ARG 58 2.477 6.992 -8.668 461 1HD ARG 58 HD3 ARG 58 2.740 6.262 -11.542 462 2HD ARG 58 HD2 ARG 58 2.436 7.831 -10.810 463 HE ARG 58 HE ARG 58 5.026 6.706 -10.241 464 1HH1 ARG 58 HH11 ARG 58 3.387 9.130 -12.491 465 2HH1 ARG 58 HH12 ARG 58 4.572 10.119 -11.685 466 1HH2 ARG 58 HH22 ARG 58 6.759 8.604 -10.915 467 2HH2 ARG 58 HH21 ARG 58 6.724 8.093 -12.574 468 H LEU 59 HN LEU 59 5.025 6.194 -6.264 469 HA LEU 59 HA LEU 59 2.739 7.370 -4.835 470 1HB LEU 59 HB2 LEU 59 5.556 6.895 -3.891 471 2HB LEU 59 HB3 LEU 59 4.429 7.934 -3.039 472 HG LEU 59 HG LEU 59 4.125 4.972 -3.509 473 1HD1 LEU 59 HD21 LEU 59 4.643 4.628 -1.271 474 2HD1 LEU 59 HD22 LEU 59 5.790 5.858 -1.764 475 3HD1 LEU 59 HD23 LEU 59 4.358 6.338 -0.851 476 1HD2 LEU 59 HD11 LEU 59 2.336 6.647 -1.806 477 2HD2 LEU 59 HD12 LEU 59 2.011 6.401 -3.509 478 3HD2 LEU 59 HD13 LEU 59 2.075 5.026 -2.424 479 H ASP 60 HN ASP 60 3.449 8.257 -7.317 480 HA ASP 60 HA ASP 60 4.775 10.814 -6.746 481 1HB ASP 60 HB3 ASP 60 6.183 9.473 -8.195 482 2HB ASP 60 HB2 ASP 60 4.833 9.216 -9.308 483 H LYS 61 HN LYS 61 2.854 9.623 -9.523 484 HA LYS 61 HA LYS 61 1.315 12.090 -9.287 485 1HB LYS 61 HB2 LYS 61 2.022 10.340 -11.588 486 2HB LYS 61 HB3 LYS 61 0.615 11.407 -11.695 487 1HG LYS 61 HG3 LYS 61 3.399 12.301 -10.987 488 2HG LYS 61 HG2 LYS 61 2.690 12.395 -12.605 489 1HD LYS 61 HD3 LYS 61 0.922 13.849 -11.749 490 2HD LYS 61 HD2 LYS 61 1.618 13.756 -10.131 491 1HE LYS 61 HE2 LYS 61 3.691 14.780 -11.003 492 2HE LYS 61 HE3 LYS 61 2.910 14.921 -12.576 493 1HZ LYS 61 HZ1 LYS 61 2.631 16.590 -10.267 494 2HZ LYS 61 HZ2 LYS 61 1.125 16.072 -10.866 495 3HZ LYS 61 HZ3 LYS 61 2.226 16.905 -11.868 496 H TYR 62 HN TYR 62 0.211 10.840 -7.480 497 HA TYR 62 HA TYR 62 -2.286 9.838 -8.594 498 1HB TYR 62 HB3 TYR 62 -2.358 7.821 -7.434 499 2HB TYR 62 HB2 TYR 62 -0.662 7.887 -7.893 500 HD1 TYR 62 HD1 TYR 62 -2.864 7.234 -5.309 501 HD2 TYR 62 HD2 TYR 62 0.874 9.130 -6.044 502 HE1 TYR 62 HE1 TYR 62 -2.303 7.038 -2.928 503 HE2 TYR 62 HE2 TYR 62 1.454 8.924 -3.661 504 HH TYR 62 HH TYR 62 0.006 8.780 -1.447 505 H ASN 63 HN ASN 63 -4.074 10.152 -7.122 506 HA ASN 63 HA ASN 63 -3.402 12.015 -4.925 507 1HB ASN 63 HB2 ASN 63 -4.702 13.136 -6.639 508 2HB ASN 63 HB3 ASN 63 -5.920 11.869 -6.594 509 1HD2 ASN 63 HD21 ASN 63 -7.673 12.356 -5.426 510 2HD2 ASN 63 HD22 ASN 63 -7.743 13.511 -4.143 511 H ILE 64 HN ILE 64 -3.700 11.162 -2.978 512 HA ILE 64 HA ILE 64 -5.664 8.981 -2.777 513 HB ILE 64 HB ILE 64 -3.239 8.360 -2.453 514 1HG1 ILE 64 HG12 ILE 64 -4.985 7.849 -0.059 515 2HG1 ILE 64 HG13 ILE 64 -5.262 7.096 -1.625 516 1HG2 ILE 64 HG21 ILE 64 -3.011 8.980 0.290 517 2HG2 ILE 64 HG22 ILE 64 -1.981 9.519 -1.040 518 3HG2 ILE 64 HG23 ILE 64 -3.372 10.485 -0.555 519 1HD1 ILE 64 HD11 ILE 64 -3.567 5.652 -1.357 520 2HD1 ILE 64 HD12 ILE 64 -2.547 6.832 -0.541 521 3HD1 ILE 64 HD13 ILE 64 -3.814 6.006 0.357 522 H ARG 65 HN ARG 65 -7.126 8.947 -1.136 523 HA ARG 65 HA ARG 65 -7.092 11.100 0.857 524 1HB ARG 65 HB3 ARG 65 -9.394 10.530 -0.987 525 2HB ARG 65 HB2 ARG 65 -9.524 11.499 0.451 526 1HG ARG 65 HG2 ARG 65 -7.733 12.128 -1.893 527 2HG ARG 65 HG3 ARG 65 -9.310 12.866 -1.573 528 1HD ARG 65 HD2 ARG 65 -6.917 12.953 0.266 529 2HD ARG 65 HD3 ARG 65 -7.472 14.284 -0.762 530 HE ARG 65 HE ARG 65 -9.662 13.657 0.729 531 1HH1 ARG 65 HH11 ARG 65 -6.660 13.728 2.799 532 2HH1 ARG 65 HH12 ARG 65 -6.562 15.378 2.362 533 1HH2 ARG 65 HH21 ARG 65 -9.825 14.180 3.329 534 2HH2 ARG 65 HH22 ARG 65 -9.565 15.844 2.872 535 H GLN 66 HN GLN 66 -7.852 10.516 2.756 536 HA GLN 66 HA GLN 66 -8.877 7.802 3.002 537 1HB GLN 66 HB3 GLN 66 -8.125 7.815 5.292 538 2HB GLN 66 HB2 GLN 66 -6.804 8.375 4.277 539 1HG GLN 66 HG2 GLN 66 -8.598 10.202 5.849 540 2HG GLN 66 HG3 GLN 66 -7.062 9.585 6.438 541 1HE2 GLN 66 HE21 GLN 66 -5.208 10.547 5.802 542 2HE2 GLN 66 HE22 GLN 66 -5.096 11.805 4.621 543 H HIS 67 HN HIS 67 -10.966 7.613 3.176 544 HA HIS 67 HA HIS 67 -12.546 9.914 3.987 545 1HB HIS 67 HB3 HIS 67 -13.202 7.324 2.618 546 2HB HIS 67 HB2 HIS 67 -14.475 8.283 3.373 547 HD1 HIS 67 HD1 HIS 67 -14.197 11.011 2.568 548 HD2 HIS 67 HD2 HIS 67 -13.117 7.940 -0.022 549 HE1 HIS 67 HE1 HIS 67 -14.240 12.016 0.264 550 HE2 HIS 67 HE2 HIS 67 -13.706 10.107 -1.297 551 H THR 68 HN THR 68 -13.074 10.159 5.996 552 HA THR 68 HA THR 68 -13.396 7.783 7.691 553 HB THR 68 HB THR 68 -13.176 10.695 8.544 554 HG1 THR 68 HG1 THR 68 -11.179 8.668 8.431 555 1HG2 THR 68 HG21 THR 68 -12.212 9.202 10.590 556 2HG2 THR 68 HG22 THR 68 -13.513 8.176 10.002 557 3HG2 THR 68 HG23 THR 68 -13.845 9.843 10.492 558 H THR 69 HN THR 69 -14.894 10.893 8.377 559 HA THR 69 HA THR 69 -17.030 11.599 8.539 560 HB THR 69 HB THR 69 -17.498 9.870 6.115 561 HG1 THR 69 HG1 THR 69 -16.202 12.371 6.421 562 1HG2 THR 69 HG21 THR 69 -19.555 10.848 6.782 563 2HG2 THR 69 HG22 THR 69 -18.925 11.813 5.421 564 3HG2 THR 69 HG23 THR 69 -18.779 12.414 7.074 565 H ASP 70 HN ASP 70 -16.816 8.081 8.319 566 HA ASP 70 HA ASP 70 -18.837 7.793 10.340 567 1HB ASP 70 HB2 ASP 70 -20.159 7.884 8.224 568 2HB ASP 70 HB3 ASP 70 -19.218 6.529 7.608 569 H GLU 71 HN GLU 71 -16.898 6.194 7.848 570 HA GLU 71 HA GLU 71 -15.530 4.589 9.827 571 1HB GLU 71 HB3 GLU 71 -17.558 3.470 8.072 572 2HB GLU 71 HB2 GLU 71 -15.960 2.734 7.834 573 1HG GLU 71 HG3 GLU 71 -15.898 2.335 10.321 574 2HG GLU 71 HG2 GLU 71 -17.580 2.872 10.382 575 H ASP 72 HN ASP 72 -13.495 4.236 9.281 576 HA ASP 72 HA ASP 72 -12.095 5.596 7.437 577 1HB ASP 72 HB2 ASP 72 -11.533 2.859 8.572 578 2HB ASP 72 HB3 ASP 72 -10.358 3.769 7.623 579 H THR 73 HN THR 73 -11.223 5.265 5.532 580 HA THR 73 HA THR 73 -11.599 3.059 3.807 581 HB THR 73 HB THR 73 -13.268 5.535 3.300 582 HG1 THR 73 HG1 THR 73 -13.982 3.463 4.476 583 1HG2 THR 73 HG21 THR 73 -12.207 3.620 1.332 584 2HG2 THR 73 HG22 THR 73 -12.720 5.284 1.133 585 3HG2 THR 73 HG23 THR 73 -13.921 3.996 1.214 586 H ILE 74 HN ILE 74 -10.145 3.161 2.084 587 HA ILE 74 HA ILE 74 -8.583 5.653 1.871 588 HB ILE 74 HB ILE 74 -7.487 2.833 1.712 589 1HG1 ILE 74 HG12 ILE 74 -7.940 3.548 4.034 590 2HG1 ILE 74 HG13 ILE 74 -6.209 3.424 3.737 591 1HG2 ILE 74 HG21 ILE 74 -5.388 4.664 1.857 592 2HG2 ILE 74 HG22 ILE 74 -5.871 3.711 0.462 593 3HG2 ILE 74 HG23 ILE 74 -6.512 5.339 0.676 594 1HD1 ILE 74 HD11 ILE 74 -7.874 5.899 3.988 595 2HD1 ILE 74 HD12 ILE 74 -6.520 5.391 4.988 596 3HD1 ILE 74 HD13 ILE 74 -6.251 5.922 3.325 597 H VAL 75 HN VAL 75 -9.041 6.498 -0.056 598 HA VAL 75 HA VAL 75 -9.280 4.667 -2.345 599 HB VAL 75 HB VAL 75 -10.660 6.308 -3.438 600 1HG1 VAL 75 HG11 VAL 75 -11.912 6.259 -0.748 601 2HG1 VAL 75 HG12 VAL 75 -12.604 5.879 -2.312 602 3HG1 VAL 75 HG13 VAL 75 -11.532 4.734 -1.520 603 1HG2 VAL 75 HG21 VAL 75 -10.383 8.060 -1.021 604 2HG2 VAL 75 HG22 VAL 75 -9.519 8.293 -2.525 605 3HG2 VAL 75 HG23 VAL 75 -11.273 8.420 -2.470 606 H LEU 76 HN LEU 76 -8.333 5.423 -4.353 607 HA LEU 76 HA LEU 76 -6.561 7.695 -4.157 608 1HB LEU 76 HB3 LEU 76 -4.719 6.311 -5.276 609 2HB LEU 76 HB2 LEU 76 -4.917 6.227 -3.531 610 HG LEU 76 HG LEU 76 -6.362 4.232 -5.148 611 1HD1 LEU 76 HD21 LEU 76 -4.597 3.554 -6.283 612 2HD1 LEU 76 HD22 LEU 76 -3.528 4.636 -5.404 613 3HD1 LEU 76 HD23 LEU 76 -3.895 3.045 -4.744 614 1HD2 LEU 76 HD11 LEU 76 -6.616 4.075 -2.808 615 2HD2 LEU 76 HD12 LEU 76 -5.573 2.749 -3.303 616 3HD2 LEU 76 HD13 LEU 76 -4.888 4.179 -2.539 617 H GLN 77 HN GLN 77 -6.697 8.865 -5.825 618 HA GLN 77 HA GLN 77 -8.019 7.798 -8.206 619 1HB GLN 77 HB2 GLN 77 -7.508 10.600 -7.207 620 2HB GLN 77 HB3 GLN 77 -8.088 10.282 -8.834 621 1HG GLN 77 HG2 GLN 77 -9.943 10.852 -7.460 622 2HG GLN 77 HG3 GLN 77 -10.057 9.149 -7.874 623 1HE2 GLN 77 HE21 GLN 77 -10.775 7.999 -6.292 624 2HE2 GLN 77 HE22 GLN 77 -10.576 8.330 -4.613 625 HA PRO 78 HA PRO 78 -4.021 7.854 -10.168 626 1HB PRO 78 HB2 PRO 78 -4.696 6.299 -12.224 627 2HB PRO 78 HB3 PRO 78 -4.539 5.655 -10.606 628 1HG PRO 78 HG3 PRO 78 -6.992 6.261 -12.142 629 2HG PRO 78 HG2 PRO 78 -6.699 4.983 -10.987 630 1HD PRO 78 HD2 PRO 78 -8.016 7.408 -10.483 631 2HD PRO 78 HD3 PRO 78 -7.440 6.256 -9.268 632 H GLN 79 HN GLN 79 -3.390 9.661 -11.205 633 HA GLN 79 HA GLN 79 -5.210 10.908 -13.107 634 1HB GLN 79 HB2 GLN 79 -3.665 12.828 -13.056 635 2HB GLN 79 HB3 GLN 79 -4.259 12.393 -11.463 636 1HG GLN 79 HG3 GLN 79 -2.189 11.313 -10.912 637 2HG GLN 79 HG2 GLN 79 -1.581 11.589 -12.544 638 1HE2 GLN 79 HE21 GLN 79 -1.549 12.700 -9.444 639 2HE2 GLN 79 HE22 GLN 79 -0.847 14.234 -9.744 640 H GLU 80 HN GLU 80 -3.307 8.464 -13.434 641 HA GLU 80 HA GLU 80 -2.340 9.286 -16.070 642 1HB GLU 80 HB3 GLU 80 -1.042 7.228 -14.272 643 2HB GLU 80 HB2 GLU 80 -0.474 7.740 -15.854 644 1HG GLU 80 HG3 GLU 80 -0.308 10.078 -14.819 645 2HG GLU 80 HG2 GLU 80 -0.436 9.246 -13.268 646 HA PRO 81 HA PRO 81 -5.082 6.144 -17.470 647 1HB PRO 81 HB2 PRO 81 -3.301 5.744 -19.789 648 2HB PRO 81 HB3 PRO 81 -4.972 6.324 -19.729 649 1HG PRO 81 HG2 PRO 81 -2.933 7.985 -20.281 650 2HG PRO 81 HG3 PRO 81 -4.347 8.509 -19.331 651 1HD PRO 81 HD2 PRO 81 -1.620 7.716 -18.373 652 2HD PRO 81 HD3 PRO 81 -2.652 9.069 -17.853 653 H GLY 82 HN GLY 82 -1.829 5.447 -16.709 654 1HA GLY 82 HA1 GLY 82 -2.120 2.613 -17.354 655 2HA GLY 82 HA2 GLY 82 -0.672 3.394 -16.771 656 H LEU 83 HN LEU 83 -3.737 3.931 -15.178 657 HA LEU 83 HA LEU 83 -3.086 1.992 -13.096 658 1HB LEU 83 HB3 LEU 83 -3.250 4.967 -12.710 659 2HB LEU 83 HB2 LEU 83 -3.576 3.869 -11.394 660 HG LEU 83 HG LEU 83 -0.969 3.893 -12.919 661 1HD1 LEU 83 HD21 LEU 83 -1.311 4.987 -10.157 662 2HD1 LEU 83 HD22 LEU 83 -0.025 5.297 -11.348 663 3HD1 LEU 83 HD23 LEU 83 -1.629 6.014 -11.552 664 1HD2 LEU 83 HD11 LEU 83 -2.111 2.066 -11.117 665 2HD2 LEU 83 HD12 LEU 83 -0.467 2.089 -11.730 666 3HD2 LEU 83 HD13 LEU 83 -0.859 2.929 -10.237 667 HA PRO 84 HA PRO 84 -7.538 1.783 -13.183 668 1HB PRO 84 HB2 PRO 84 -7.856 -0.268 -11.525 669 2HB PRO 84 HB3 PRO 84 -6.998 -0.497 -13.049 670 1HG PRO 84 HG2 PRO 84 -5.898 -0.111 -10.288 671 2HG PRO 84 HG3 PRO 84 -5.401 -1.267 -11.519 672 1HD PRO 84 HD3 PRO 84 -4.139 1.128 -11.046 673 2HD PRO 84 HD2 PRO 84 -4.058 0.253 -12.571 674 H SER 85 HN SER 85 -9.213 1.179 -11.178 675 HA SER 85 HA SER 85 -8.733 3.282 -9.169 676 1HB SER 85 HB2 SER 85 -11.307 3.141 -8.912 677 2HB SER 85 HB3 SER 85 -10.654 3.952 -10.347 678 HG SER 85 HG SER 85 -11.041 2.068 -11.535 679 H PHE 86 HN PHE 86 -8.241 2.521 -7.210 680 HA PHE 86 HA PHE 86 -9.455 -0.012 -6.351 681 1HB PHE 86 HB3 PHE 86 -7.454 -0.967 -6.628 682 2HB PHE 86 HB2 PHE 86 -6.693 0.587 -6.937 683 HD1 PHE 86 HD1 PHE 86 -7.849 -1.522 -4.073 684 HD2 PHE 86 HD2 PHE 86 -5.077 1.345 -5.553 685 HE1 PHE 86 HE1 PHE 86 -6.554 -1.681 -1.979 686 HE2 PHE 86 HE2 PHE 86 -3.788 1.192 -3.472 687 HZ PHE 86 HZ PHE 86 -4.522 -0.321 -1.682 688 H ARG 87 HN ARG 87 -9.735 -0.293 -4.109 689 HA ARG 87 HA ARG 87 -9.307 2.054 -2.388 690 1HB ARG 87 HB2 ARG 87 -11.921 0.584 -2.793 691 2HB ARG 87 HB3 ARG 87 -11.630 1.726 -1.499 692 1HG ARG 87 HG3 ARG 87 -11.940 3.488 -2.831 693 2HG ARG 87 HG2 ARG 87 -10.987 2.781 -4.143 694 1HD ARG 87 HD2 ARG 87 -13.279 3.094 -4.864 695 2HD ARG 87 HD3 ARG 87 -12.908 1.375 -4.760 696 HE ARG 87 HE ARG 87 -14.057 2.154 -2.342 697 1HH1 ARG 87 HH12 ARG 87 -15.622 0.977 -5.596 698 2HH1 ARG 87 HH11 ARG 87 -16.106 2.649 -5.473 699 1HH2 ARG 87 HH22 ARG 87 -16.825 2.447 -2.409 700 2HH2 ARG 87 HH21 ARG 87 -16.836 0.724 -2.734 701 H ILE 88 HN ILE 88 -8.755 1.534 -0.294 702 HA ILE 88 HA ILE 88 -8.992 -1.297 0.493 703 HB ILE 88 HB ILE 88 -7.019 -0.522 2.120 704 1HG1 ILE 88 HG12 ILE 88 -6.369 0.968 -0.420 705 2HG1 ILE 88 HG13 ILE 88 -6.924 1.745 1.072 706 1HG2 ILE 88 HG21 ILE 88 -7.270 -2.203 -0.063 707 2HG2 ILE 88 HG22 ILE 88 -5.801 -1.275 -0.367 708 3HG2 ILE 88 HG23 ILE 88 -5.969 -2.185 1.117 709 1HD1 ILE 88 HD11 ILE 88 -4.951 1.345 2.176 710 2HD1 ILE 88 HD12 ILE 88 -4.524 -0.035 1.143 711 3HD1 ILE 88 HD13 ILE 88 -4.375 1.606 0.521 712 H LYS 89 HN LYS 89 -10.330 -1.572 2.186 713 HA LYS 89 HA LYS 89 -10.442 0.557 4.215 714 1HB LYS 89 HB3 LYS 89 -12.734 0.872 4.138 715 2HB LYS 89 HB2 LYS 89 -12.386 0.642 2.432 716 1HG LYS 89 HG2 LYS 89 -13.511 -1.311 2.322 717 2HG LYS 89 HG3 LYS 89 -13.054 -1.792 3.963 718 1HD LYS 89 HD3 LYS 89 -14.617 -0.046 4.820 719 2HD LYS 89 HD2 LYS 89 -15.168 0.197 3.163 720 1HE LYS 89 HE3 LYS 89 -15.836 -2.175 3.069 721 2HE LYS 89 HE2 LYS 89 -15.341 -2.357 4.762 722 1HZ LYS 89 HZ1 LYS 89 -16.980 -0.491 5.224 723 2HZ LYS 89 HZ2 LYS 89 -17.645 -1.999 4.808 724 3HZ LYS 89 HZ3 LYS 89 -17.586 -0.747 3.663 725 HA PRO 90 HA PRO 90 -10.494 -2.794 7.041 726 1HB PRO 90 HB3 PRO 90 -11.645 -1.651 9.196 727 2HB PRO 90 HB2 PRO 90 -10.028 -1.151 8.610 728 1HG PRO 90 HG2 PRO 90 -12.709 0.144 8.167 729 2HG PRO 90 HG3 PRO 90 -11.161 0.895 8.588 730 1HD PRO 90 HD3 PRO 90 -12.137 0.829 6.060 731 2HD PRO 90 HD2 PRO 90 -10.392 0.849 6.436 732 H LYS 91 HN LYS 91 -12.034 -4.062 5.739 733 HA LYS 91 HA LYS 91 -14.790 -3.837 5.867 734 1HB LYS 91 HB3 LYS 91 -14.780 -6.350 5.329 735 2HB LYS 91 HB2 LYS 91 -14.073 -5.222 4.180 736 1HG LYS 91 HG2 LYS 91 -12.064 -6.131 4.352 737 2HG LYS 91 HG3 LYS 91 -12.163 -6.231 6.113 738 1HD LYS 91 HD3 LYS 91 -12.012 -8.467 5.068 739 2HD LYS 91 HD2 LYS 91 -13.538 -8.239 5.928 740 1HE LYS 91 HE3 LYS 91 -14.486 -7.513 3.670 741 2HE LYS 91 HE2 LYS 91 -13.038 -8.217 2.975 742 1HZ LYS 91 HZ1 LYS 91 -15.206 -9.549 4.460 743 2HZ LYS 91 HZ2 LYS 91 -13.692 -10.260 4.346 744 3HZ LYS 91 HZ3 LYS 91 -14.556 -9.942 2.930 745 H ASP 92 HN ASP 92 -13.551 -6.841 7.363 746 HA ASP 92 HA ASP 92 -14.915 -6.052 9.824 747 1HB ASP 92 HB3 ASP 92 -16.467 -7.348 8.358 748 2HB ASP 92 HB2 ASP 92 -15.342 -8.688 8.432 749 H PHE 93 HN PHE 93 -13.119 -5.987 11.063 750 HA PHE 93 HA PHE 93 -12.019 -8.472 11.923 751 1HB PHE 93 HB3 PHE 93 -9.624 -7.834 11.587 752 2HB PHE 93 HB2 PHE 93 -10.473 -8.248 10.106 753 HD1 PHE 93 HD1 PHE 93 -10.944 -6.532 8.426 754 HD2 PHE 93 HD2 PHE 93 -8.859 -5.638 12.015 755 HE1 PHE 93 HE1 PHE 93 -10.169 -4.413 7.438 756 HE2 PHE 93 HE2 PHE 93 -8.070 -3.525 11.046 757 HZ PHE 93 HZ PHE 93 -8.723 -2.907 8.751 758 H GLU 94 HN GLU 94 -10.752 -8.229 13.875 759 HA GLU 94 HA GLU 94 -10.997 -5.575 15.116 760 1HB GLU 94 HB3 GLU 94 -12.847 -7.211 15.774 761 2HB GLU 94 HB2 GLU 94 -11.599 -8.129 16.586 762 1HG GLU 94 HG3 GLU 94 -11.262 -6.516 18.190 763 2HG GLU 94 HG2 GLU 94 -11.955 -5.238 17.202 764 H THR 95 HN THR 95 -9.549 -5.213 16.896 765 HA THR 95 HA THR 95 -7.525 -5.237 17.912 766 HB THR 95 HB THR 95 -7.321 -8.185 17.240 767 HG1 THR 95 HG1 THR 95 -8.926 -8.503 18.530 768 1HG2 THR 95 HG21 THR 95 -6.346 -8.089 19.662 769 2HG2 THR 95 HG22 THR 95 -6.036 -6.395 19.246 770 3HG2 THR 95 HG23 THR 95 -5.337 -7.695 18.275 771 H SER 96 HN SER 96 -7.500 -4.098 15.660 772 HA SER 96 HA SER 96 -4.931 -4.338 14.566 773 1HB SER 96 HB3 SER 96 -7.238 -5.402 12.937 774 2HB SER 96 HB2 SER 96 -5.773 -4.788 12.176 775 HG SER 96 HG SER 96 -5.608 -6.732 14.209 776 H GLU 97 HN GLU 97 -8.067 -2.949 14.745 777 HA GLU 97 HA GLU 97 -8.133 -0.996 12.801 778 1HB GLU 97 HB2 GLU 97 -9.084 -0.588 15.643 779 2HB GLU 97 HB3 GLU 97 -9.671 0.226 14.207 780 1HG GLU 97 HG2 GLU 97 -11.335 -1.283 14.495 781 2HG GLU 97 HG3 GLU 97 -10.255 -2.234 13.468 782 H TYR 98 HN TYR 98 -6.475 -0.931 15.916 783 HA TYR 98 HA TYR 98 -5.776 1.779 15.899 784 1HB TYR 98 HB2 TYR 98 -4.392 -0.559 17.205 785 2HB TYR 98 HB3 TYR 98 -3.948 1.126 17.472 786 HD1 TYR 98 HD1 TYR 98 -6.936 -1.102 17.624 787 HD2 TYR 98 HD2 TYR 98 -4.884 2.255 19.228 788 HE1 TYR 98 HE1 TYR 98 -8.609 -0.945 19.418 789 HE2 TYR 98 HE2 TYR 98 -6.550 2.425 21.027 790 HH TYR 98 HH TYR 98 -8.640 1.747 21.661 791 H VAL 99 HN VAL 99 -4.045 -1.042 14.562 792 HA VAL 99 HA VAL 99 -1.847 0.601 13.674 793 HB VAL 99 HB VAL 99 -0.878 -1.270 12.718 794 1HG1 VAL 99 HG11 VAL 99 -0.757 -1.915 14.878 795 2HG1 VAL 99 HG12 VAL 99 -2.500 -1.952 15.091 796 3HG1 VAL 99 HG13 VAL 99 -1.689 -3.264 14.261 797 1HG2 VAL 99 HG21 VAL 99 -3.639 -2.411 12.344 798 2HG2 VAL 99 HG22 VAL 99 -2.469 -1.925 11.099 799 3HG2 VAL 99 HG23 VAL 99 -2.166 -3.348 12.112 800 H ARG 100 HN ARG 100 -4.934 -0.386 12.457 801 HA ARG 100 HA ARG 100 -4.505 0.167 9.723 802 1HB ARG 100 HB2 ARG 100 -6.347 -1.227 10.301 803 2HB ARG 100 HB3 ARG 100 -6.991 -0.037 11.403 804 1HG ARG 100 HG2 ARG 100 -6.765 1.002 8.711 805 2HG ARG 100 HG3 ARG 100 -7.783 -0.443 8.794 806 1HD ARG 100 HD2 ARG 100 -8.078 1.950 10.607 807 2HD ARG 100 HD3 ARG 100 -9.003 1.718 9.123 808 HE ARG 100 HE ARG 100 -9.385 -0.581 10.561 809 1HH1 ARG 100 HH11 ARG 100 -10.176 2.906 11.242 810 2HH1 ARG 100 HH12 ARG 100 -10.447 2.312 12.855 811 1HH2 ARG 100 HH21 ARG 100 -11.192 -0.928 11.870 812 2HH2 ARG 100 HH22 ARG 100 -12.186 0.419 12.311 813 H LYS 101 HN LYS 101 -5.847 2.118 12.392 814 HA LYS 101 HA LYS 101 -6.364 4.391 10.757 815 1HB LYS 101 HB3 LYS 101 -7.428 3.912 12.993 816 2HB LYS 101 HB2 LYS 101 -5.908 4.411 13.746 817 1HG LYS 101 HG2 LYS 101 -6.151 6.631 13.018 818 2HG LYS 101 HG3 LYS 101 -7.417 6.184 11.846 819 1HD LYS 101 HD2 LYS 101 -7.759 5.876 14.824 820 2HD LYS 101 HD3 LYS 101 -8.197 7.345 13.961 821 1HE LYS 101 HE2 LYS 101 -9.700 6.014 12.514 822 2HE LYS 101 HE3 LYS 101 -9.306 4.589 13.475 823 1HZ LYS 101 HZ1 LYS 101 -10.688 7.046 14.403 824 2HZ LYS 101 HZ2 LYS 101 -10.164 5.822 15.437 825 3HZ LYS 101 HZ3 LYS 101 -11.343 5.485 14.285 826 H ALA 102 HN ALA 102 -3.560 3.077 12.171 827 HA ALA 102 HA ALA 102 -1.966 5.449 12.303 828 1HB ALA 102 HB1 ALA 102 -1.442 3.259 13.476 829 2HB ALA 102 HB2 ALA 102 -0.960 2.631 11.917 830 3HB ALA 102 HB3 ALA 102 -0.091 3.989 12.593 831 H TRP 103 HN TRP 103 -2.812 3.044 9.902 832 HA TRP 103 HA TRP 103 -0.911 3.772 7.940 833 1HB TRP 103 HB3 TRP 103 -3.494 2.270 7.881 834 2HB TRP 103 HB2 TRP 103 -2.790 2.815 6.358 835 HD1 TRP 103 HD1 TRP 103 -1.694 0.723 9.453 836 HE1 TRP 103 HE1 TRP 103 -0.086 -1.108 8.623 837 HE3 TRP 103 HE3 TRP 103 -1.487 2.005 4.521 838 HZ2 TRP 103 HZ2 TRP 103 1.113 -1.889 6.186 839 HZ3 TRP 103 HZ3 TRP 103 -0.097 0.682 2.997 840 HH2 TRP 103 HH2 TRP 103 1.184 -1.227 3.801 841 H LEU 104 HN LEU 104 -4.160 4.885 8.685 842 HA LEU 104 HA LEU 104 -4.502 6.579 6.453 843 1HB LEU 104 HB2 LEU 104 -5.723 6.445 9.180 844 2HB LEU 104 HB3 LEU 104 -6.032 7.841 8.163 845 HG LEU 104 HG LEU 104 -6.896 6.265 6.416 846 1HD1 LEU 104 HD11 LEU 104 -6.987 4.219 8.615 847 2HD1 LEU 104 HD12 LEU 104 -7.401 4.014 6.918 848 3HD1 LEU 104 HD13 LEU 104 -5.727 4.245 7.391 849 1HD2 LEU 104 HD21 LEU 104 -8.157 6.789 9.039 850 2HD2 LEU 104 HD22 LEU 104 -8.631 7.316 7.412 851 3HD2 LEU 104 HD23 LEU 104 -8.964 5.666 7.961 852 H ARG 105 HN ARG 105 -2.951 6.979 9.555 853 HA ARG 105 HA ARG 105 -2.619 9.794 9.415 854 1HB ARG 105 HB2 ARG 105 -2.427 8.751 11.560 855 2HB ARG 105 HB3 ARG 105 -1.167 7.662 10.994 856 1HG ARG 105 HG3 ARG 105 0.459 9.294 11.072 857 2HG ARG 105 HG2 ARG 105 -0.713 10.617 10.924 858 1HD ARG 105 HD3 ARG 105 -0.526 8.825 13.334 859 2HD ARG 105 HD2 ARG 105 0.326 10.363 13.200 860 HE ARG 105 HE ARG 105 -2.495 9.956 13.672 861 1HH1 ARG 105 HH11 ARG 105 -0.431 12.684 12.126 862 2HH1 ARG 105 HH12 ARG 105 -0.381 12.936 13.844 863 1HH2 ARG 105 HH21 ARG 105 -3.849 12.388 12.850 864 2HH2 ARG 105 HH22 ARG 105 -3.169 12.899 14.385 865 H ASP 106 HN ASP 106 -0.522 7.053 8.590 866 HA ASP 106 HA ASP 106 1.641 8.672 7.709 867 1HB ASP 106 HB3 ASP 106 1.757 6.227 8.417 868 2HB ASP 106 HB2 ASP 106 1.134 5.845 6.811 869 H ILE 107 HN ILE 107 -1.110 7.186 6.114 870 HA ILE 107 HA ILE 107 -0.425 7.750 3.448 871 HB ILE 107 HB ILE 107 -3.035 7.327 4.857 872 1HG1 ILE 107 HG12 ILE 107 -1.461 5.754 2.818 873 2HG1 ILE 107 HG13 ILE 107 -1.631 5.378 4.525 874 1HG2 ILE 107 HG21 ILE 107 -3.404 8.921 2.975 875 2HG2 ILE 107 HG22 ILE 107 -2.790 7.666 1.883 876 3HG2 ILE 107 HG23 ILE 107 -4.252 7.393 2.816 877 1HD1 ILE 107 HD11 ILE 107 -3.321 4.661 2.316 878 2HD1 ILE 107 HD12 ILE 107 -3.320 4.060 3.983 879 3HD1 ILE 107 HD13 ILE 107 -4.239 5.514 3.555 880 H ALA 108 HN ALA 108 -1.995 9.706 5.940 881 HA ALA 108 HA ALA 108 -2.691 11.886 4.237 882 1HB ALA 108 HB1 ALA 108 -2.834 13.142 6.433 883 2HB ALA 108 HB2 ALA 108 -3.845 11.703 6.306 884 3HB ALA 108 HB3 ALA 108 -2.331 11.660 7.222 885 H GLU 109 HN GLU 109 -0.156 11.457 6.667 886 HA GLU 109 HA GLU 109 1.446 13.657 5.692 887 1HB GLU 109 HB3 GLU 109 2.273 11.518 7.664 888 2HB GLU 109 HB2 GLU 109 2.905 13.147 7.516 889 1HG GLU 109 HG3 GLU 109 0.890 14.094 8.356 890 2HG GLU 109 HG2 GLU 109 0.075 12.537 8.304 891 H GLU 110 HN GLU 110 0.953 11.834 3.675 892 HA GLU 110 HA GLU 110 2.846 9.807 3.307 893 1HB GLU 110 HB2 GLU 110 2.075 9.731 1.028 894 2HB GLU 110 HB3 GLU 110 0.701 10.050 2.066 895 1HG GLU 110 HG3 GLU 110 1.019 12.504 1.540 896 2HG GLU 110 HG2 GLU 110 2.163 11.993 0.307 897 H GLN 111 HN GLN 111 4.685 9.636 2.151 898 HA GLN 111 HA GLN 111 6.877 10.417 1.936 899 1HB GLN 111 HB2 GLN 111 5.718 9.754 -0.191 900 2HB GLN 111 HB3 GLN 111 5.466 11.467 -0.499 901 1HG GLN 111 HG2 GLN 111 7.772 11.864 -0.726 902 2HG GLN 111 HG3 GLN 111 8.174 10.292 -0.033 903 1HE2 GLN 111 HE21 GLN 111 7.321 11.996 -2.863 904 2HE2 GLN 111 HE22 GLN 111 7.003 10.651 -3.896 905 H GLU 112 HN GLU 112 7.257 11.952 3.458 906 HA GLU 112 HA GLU 112 6.472 14.570 3.590 907 1HB GLU 112 HB2 GLU 112 9.134 13.354 4.317 908 2HB GLU 112 HB3 GLU 112 8.641 14.982 4.785 909 1HG GLU 112 HG2 GLU 112 6.765 14.068 6.036 910 2HG GLU 112 HG3 GLU 112 7.206 12.437 5.527 911 H LYS 113 HN LYS 113 9.047 13.245 1.570 912 HA LYS 113 HA LYS 113 10.054 15.796 0.777 913 1HB LYS 113 HB3 LYS 113 10.458 12.979 -0.153 914 2HB LYS 113 HB2 LYS 113 11.103 14.317 -1.091 915 1HG LYS 113 HG3 LYS 113 12.846 13.555 0.307 916 2HG LYS 113 HG2 LYS 113 12.262 15.067 1.009 917 1HD LYS 113 HD3 LYS 113 10.927 13.800 2.620 918 2HD LYS 113 HD2 LYS 113 11.538 12.299 1.927 919 1HE LYS 113 HE3 LYS 113 13.258 14.442 3.166 920 2HE LYS 113 HE2 LYS 113 12.697 12.991 4.010 921 1HZ LYS 113 HZ1 LYS 113 13.813 11.867 1.895 922 2HZ LYS 113 HZ2 LYS 113 14.692 12.231 3.304 923 3HZ LYS 113 HZ3 LYS 113 14.769 13.273 1.955 924 H TYR 114 HN TYR 114 7.323 13.992 -0.148 925 HA TYR 114 HA TYR 114 7.037 14.630 -2.865 926 1HB TYR 114 HB2 TYR 114 5.701 12.963 -1.555 927 2HB TYR 114 HB3 TYR 114 4.830 14.302 -0.834 928 HD1 TYR 114 HD1 TYR 114 3.810 15.981 -2.669 929 HD2 TYR 114 HD2 TYR 114 4.712 11.882 -3.277 930 HE1 TYR 114 HE1 TYR 114 2.166 15.902 -4.490 931 HE2 TYR 114 HE2 TYR 114 3.068 11.781 -5.097 932 HH TYR 114 HH TYR 114 1.836 13.062 -6.525 933 H ALA 115 HN ALA 115 5.167 16.142 -0.220 934 HA ALA 115 HA ALA 115 4.454 18.382 -1.802 935 1HB ALA 115 HB1 ALA 115 3.417 17.380 0.425 936 2HB ALA 115 HB2 ALA 115 4.393 18.644 1.149 937 3HB ALA 115 HB3 ALA 115 3.181 19.060 -0.053 938 H ALA 116 HN ALA 116 7.371 17.640 -0.348 939 HA ALA 116 HA ALA 116 8.140 20.379 0.221 940 1HB ALA 116 HB1 ALA 116 10.134 18.170 0.003 941 2HB ALA 116 HB2 ALA 116 10.039 19.531 1.162 942 3HB ALA 116 HB3 ALA 116 8.968 18.125 1.332 943 H GLU 117 HN GLU 117 8.414 18.005 -2.321 944 HA GLU 117 HA GLU 117 9.228 18.043 -4.422 945 1HB GLU 117 HB3 GLU 117 8.294 20.772 -3.950 946 2HB GLU 117 HB2 GLU 117 9.554 20.671 -5.181 947 1HG GLU 117 HG3 GLU 117 7.028 19.039 -5.168 948 2HG GLU 117 HG2 GLU 117 7.291 20.504 -6.117 949 H ARG 118 HN ARG 118 11.048 17.905 -2.303 950 HA ARG 118 HA ARG 118 13.480 18.380 -3.709 951 1HB ARG 118 HB3 ARG 118 12.779 20.628 -2.533 952 2HB ARG 118 HB2 ARG 118 13.316 19.800 -1.082 953 1HG ARG 118 HG3 ARG 118 15.213 20.936 -1.680 954 2HG ARG 118 HG2 ARG 118 15.482 19.370 -2.449 955 1HD ARG 118 HD3 ARG 118 14.080 21.467 -4.006 956 2HD ARG 118 HD2 ARG 118 15.814 21.642 -3.753 957 HE ARG 118 HE ARG 118 15.321 19.040 -4.659 958 1HH1 ARG 118 HH12 ARG 118 14.021 21.787 -6.440 959 2HH1 ARG 118 HH11 ARG 118 15.670 22.290 -6.793 960 1HH2 ARG 118 HH22 ARG 118 16.751 19.251 -7.204 961 2HH2 ARG 118 HH21 ARG 118 15.088 19.073 -7.659 962 H ASP 119 HN ASP 119 15.251 17.385 -2.604 963 HA ASP 119 HA ASP 119 14.543 15.781 -0.258 964 1HB ASP 119 HB2 ASP 119 15.748 13.839 -1.227 965 2HB ASP 119 HB3 ASP 119 14.307 14.275 -2.143 Start of MODEL 3 1 1H MET 1 HT1 MET 1 13.212 -15.778 -4.003 2 2H MET 1 HT2 MET 1 13.729 -16.254 -5.572 3 3H MET 1 HT3 MET 1 12.234 -16.833 -4.946 4 HA MET 1 HA MET 1 12.115 -15.026 -6.618 5 1HB MET 1 HB2 MET 1 10.355 -13.830 -5.318 6 2HB MET 1 HB3 MET 1 10.223 -15.580 -5.218 7 1HG MET 1 HG2 MET 1 11.080 -15.605 -3.007 8 2HG MET 1 HG3 MET 1 11.567 -13.914 -3.109 9 1HE MET 1 HE1 MET 1 8.660 -16.020 -4.066 10 2HE MET 1 HE2 MET 1 7.998 -16.148 -2.436 11 3HE MET 1 HE3 MET 1 7.233 -15.085 -3.618 12 H GLY 2 HN GLY 2 14.639 -14.518 -6.059 13 1HA GLY 2 HA1 GLY 2 15.711 -12.366 -6.417 14 2HA GLY 2 HA2 GLY 2 14.637 -11.696 -5.187 15 H ASP 3 HN ASP 3 14.859 -12.445 -3.028 16 HA ASP 3 HA ASP 3 16.153 -12.614 -1.151 17 1HB ASP 3 HB3 ASP 3 16.956 -15.122 -2.639 18 2HB ASP 3 HB2 ASP 3 17.137 -14.864 -0.907 19 H THR 4 HN THR 4 17.411 -10.752 -2.376 20 HA THR 4 HA THR 4 20.217 -11.402 -1.980 21 HB THR 4 HB THR 4 19.916 -11.735 -4.365 22 HG1 THR 4 HG1 THR 4 21.507 -9.830 -3.307 23 1HG2 THR 4 HG21 THR 4 19.469 -9.490 -5.668 24 2HG2 THR 4 HG22 THR 4 18.497 -9.140 -4.237 25 3HG2 THR 4 HG23 THR 4 18.160 -10.576 -5.203 26 H GLY 5 HN GLY 5 17.694 -9.483 -1.259 27 1HA GLY 5 HA1 GLY 5 18.657 -7.729 0.395 28 2HA GLY 5 HA2 GLY 5 19.280 -7.013 -1.083 29 H LYS 6 HN LYS 6 16.177 -8.608 -0.987 30 HA LYS 6 HA LYS 6 14.886 -6.085 -1.669 31 1HB LYS 6 HB2 LYS 6 14.486 -8.312 -2.894 32 2HB LYS 6 HB3 LYS 6 13.566 -8.796 -1.478 33 1HG LYS 6 HG2 LYS 6 12.102 -6.817 -1.823 34 2HG LYS 6 HG3 LYS 6 12.969 -6.497 -3.327 35 1HD LYS 6 HD3 LYS 6 12.324 -8.740 -4.140 36 2HD LYS 6 HD2 LYS 6 11.398 -8.986 -2.658 37 1HE LYS 6 HE2 LYS 6 9.901 -8.310 -4.412 38 2HE LYS 6 HE3 LYS 6 10.028 -7.012 -3.227 39 1HZ LYS 6 HZ1 LYS 6 10.464 -6.857 -5.961 40 2HZ LYS 6 HZ2 LYS 6 11.982 -6.658 -5.232 41 3HZ LYS 6 HZ3 LYS 6 10.695 -5.638 -4.804 42 H LEU 7 HN LEU 7 15.791 -5.978 0.853 43 HA LEU 7 HA LEU 7 13.404 -6.411 2.517 44 1HB LEU 7 HB2 LEU 7 15.399 -7.698 3.245 45 2HB LEU 7 HB3 LEU 7 16.275 -6.192 3.437 46 HG LEU 7 HG LEU 7 14.605 -5.503 5.161 47 1HD1 LEU 7 HD11 LEU 7 13.299 -7.881 4.193 48 2HD1 LEU 7 HD12 LEU 7 13.550 -7.957 5.938 49 3HD1 LEU 7 HD13 LEU 7 12.675 -6.600 5.235 50 1HD2 LEU 7 HD21 LEU 7 16.136 -6.262 6.569 51 2HD2 LEU 7 HD22 LEU 7 15.407 -7.864 6.495 52 3HD2 LEU 7 HD23 LEU 7 16.692 -7.421 5.364 53 H GLY 8 HN GLY 8 12.396 -4.519 2.158 54 1HA GLY 8 HA2 GLY 8 13.634 -2.171 3.384 55 2HA GLY 8 HA1 GLY 8 13.111 -2.024 1.709 56 H ARG 9 HN ARG 9 11.832 -3.452 4.682 57 HA ARG 9 HA ARG 9 9.126 -2.820 4.007 58 1HB ARG 9 HB2 ARG 9 10.358 -3.849 6.568 59 2HB ARG 9 HB3 ARG 9 8.630 -3.742 6.258 60 1HG ARG 9 HG3 ARG 9 8.714 -5.399 4.591 61 2HG ARG 9 HG2 ARG 9 10.473 -5.313 4.483 62 1HD ARG 9 HD3 ARG 9 10.679 -6.263 6.710 63 2HD ARG 9 HD2 ARG 9 8.924 -6.289 6.881 64 HE ARG 9 HE ARG 9 9.529 -7.748 4.593 65 1HH1 ARG 9 HH11 ARG 9 9.927 -8.271 8.178 66 2HH1 ARG 9 HH12 ARG 9 11.283 -9.236 7.649 67 1HH2 ARG 9 HH21 ARG 9 10.638 -10.360 5.109 68 2HH2 ARG 9 HH22 ARG 9 8.947 -10.499 5.518 69 H ILE 10 HN ILE 10 10.381 -0.486 3.869 70 HA ILE 10 HA ILE 10 10.267 1.033 6.287 71 HB ILE 10 HB ILE 10 11.804 1.464 4.343 72 1HG1 ILE 10 HG12 ILE 10 10.058 3.828 5.059 73 2HG1 ILE 10 HG13 ILE 10 11.339 3.185 6.085 74 1HG2 ILE 10 HG21 ILE 10 9.677 1.218 2.763 75 2HG2 ILE 10 HG22 ILE 10 9.690 2.974 2.931 76 3HG2 ILE 10 HG23 ILE 10 11.107 2.139 2.299 77 1HD1 ILE 10 HD11 ILE 10 11.605 4.513 3.408 78 2HD1 ILE 10 HD12 ILE 10 12.237 5.053 4.965 79 3HD1 ILE 10 HD13 ILE 10 12.920 3.628 4.179 80 H ILE 11 HN ILE 11 8.936 3.171 6.147 81 HA ILE 11 HA ILE 11 6.929 4.154 6.373 82 HB ILE 11 HB ILE 11 6.227 2.720 3.804 83 1HG1 ILE 11 HG13 ILE 11 7.437 5.446 4.326 84 2HG1 ILE 11 HG12 ILE 11 8.200 4.096 3.491 85 1HG2 ILE 11 HG21 ILE 11 4.996 5.193 5.024 86 2HG2 ILE 11 HG22 ILE 11 4.525 4.418 3.511 87 3HG2 ILE 11 HG23 ILE 11 4.265 3.587 5.046 88 1HD1 ILE 11 HD11 ILE 11 6.756 6.192 2.355 89 2HD1 ILE 11 HD12 ILE 11 7.331 4.729 1.552 90 3HD1 ILE 11 HD13 ILE 11 5.705 4.779 2.232 91 H ARG 12 HN ARG 12 5.209 1.517 4.787 92 HA ARG 12 HA ARG 12 4.566 0.242 7.298 93 1HB ARG 12 HB2 ARG 12 3.123 2.450 6.791 94 2HB ARG 12 HB3 ARG 12 2.177 1.281 5.879 95 1HG ARG 12 HG3 ARG 12 1.193 1.375 7.998 96 2HG ARG 12 HG2 ARG 12 2.135 -0.118 7.984 97 1HD ARG 12 HD3 ARG 12 3.963 1.061 9.143 98 2HD ARG 12 HD2 ARG 12 2.955 2.506 9.218 99 HE ARG 12 HE ARG 12 1.603 0.282 10.350 100 1HH1 ARG 12 HH12 ARG 12 3.442 3.199 11.513 101 2HH1 ARG 12 HH11 ARG 12 4.593 1.999 12.029 102 1HH2 ARG 12 HH22 ARG 12 1.154 0.872 12.856 103 2HH2 ARG 12 HH21 ARG 12 2.675 0.150 13.318 104 H HIS 13 HN HIS 13 3.146 -1.630 7.004 105 HA HIS 13 HA HIS 13 2.563 -2.500 4.302 106 1HB HIS 13 HB2 HIS 13 3.815 -4.592 4.446 107 2HB HIS 13 HB3 HIS 13 4.910 -3.223 4.579 108 HD1 HIS 13 HD1 HIS 13 5.687 -2.663 7.151 109 HD2 HIS 13 HD2 HIS 13 4.082 -6.437 6.418 110 HE1 HIS 13 HE1 HIS 13 6.362 -4.088 9.111 111 HE2 HIS 13 HE2 HIS 13 5.319 -6.342 8.694 112 H ASP 14 HN ASP 14 0.684 -3.635 4.305 113 HA ASP 14 HA ASP 14 -0.042 -5.297 6.556 114 1HB ASP 14 HB3 ASP 14 -0.715 -3.035 7.319 115 2HB ASP 14 HB2 ASP 14 -1.760 -2.887 5.905 116 H ALA 15 HN ALA 15 -1.923 -6.559 6.177 117 HA ALA 15 HA ALA 15 -2.393 -7.013 3.323 118 1HB ALA 15 HB1 ALA 15 -1.733 -8.925 4.715 119 2HB ALA 15 HB2 ALA 15 -3.190 -8.711 5.684 120 3HB ALA 15 HB3 ALA 15 -3.322 -9.158 3.985 121 H PHE 16 HN PHE 16 -4.039 -5.917 2.451 122 HA PHE 16 HA PHE 16 -6.415 -5.382 4.100 123 1HB PHE 16 HB2 PHE 16 -5.329 -4.051 1.626 124 2HB PHE 16 HB3 PHE 16 -6.971 -3.775 2.186 125 HD1 PHE 16 HD1 PHE 16 -3.546 -3.797 3.696 126 HD2 PHE 16 HD2 PHE 16 -7.300 -1.836 3.304 127 HE1 PHE 16 HE1 PHE 16 -2.739 -1.969 5.129 128 HE2 PHE 16 HE2 PHE 16 -6.497 -0.003 4.732 129 HZ PHE 16 HZ PHE 16 -4.215 -0.069 5.650 130 H GLN 17 HN GLN 17 -8.442 -5.863 3.402 131 HA GLN 17 HA GLN 17 -8.671 -7.697 1.116 132 1HB GLN 17 HB3 GLN 17 -9.385 -8.706 3.250 133 2HB GLN 17 HB2 GLN 17 -10.452 -7.347 3.558 134 1HG GLN 17 HG3 GLN 17 -11.744 -9.237 2.853 135 2HG GLN 17 HG2 GLN 17 -11.805 -7.991 1.609 136 1HE2 GLN 17 HE21 GLN 17 -11.460 -11.210 2.133 137 2HE2 GLN 17 HE22 GLN 17 -10.918 -11.622 0.550 138 H VAL 18 HN VAL 18 -8.749 -6.135 -0.385 139 HA VAL 18 HA VAL 18 -10.946 -4.188 -0.204 140 HB VAL 18 HB VAL 18 -8.899 -3.059 0.069 141 1HG1 VAL 18 HG11 VAL 18 -7.348 -4.715 -0.570 142 2HG1 VAL 18 HG12 VAL 18 -7.912 -4.703 -2.242 143 3HG1 VAL 18 HG13 VAL 18 -7.035 -3.312 -1.592 144 1HG2 VAL 18 HG21 VAL 18 -8.700 -1.652 -1.961 145 2HG2 VAL 18 HG22 VAL 18 -9.784 -2.774 -2.789 146 3HG2 VAL 18 HG23 VAL 18 -10.366 -1.866 -1.396 147 H TRP 19 HN TRP 19 -11.684 -3.298 -2.201 148 HA TRP 19 HA TRP 19 -12.074 -5.283 -4.315 149 1HB TRP 19 HB2 TRP 19 -13.552 -2.678 -4.017 150 2HB TRP 19 HB3 TRP 19 -14.124 -4.193 -4.709 151 HD1 TRP 19 HD1 TRP 19 -15.179 -5.976 -3.055 152 HE1 TRP 19 HE1 TRP 19 -15.931 -5.868 -0.593 153 HE3 TRP 19 HE3 TRP 19 -12.938 -1.533 -1.682 154 HZ2 TRP 19 HZ2 TRP 19 -15.604 -4.156 1.618 155 HZ3 TRP 19 HZ3 TRP 19 -13.195 -0.785 0.599 156 HH2 TRP 19 HH2 TRP 19 -14.508 -2.046 2.230 157 H GLU 20 HN GLU 20 -10.110 -4.867 -5.535 158 HA GLU 20 HA GLU 20 -9.615 -2.104 -6.305 159 1HB GLU 20 HB2 GLU 20 -7.795 -3.712 -7.684 160 2HB GLU 20 HB3 GLU 20 -7.495 -2.792 -6.217 161 1HG GLU 20 HG3 GLU 20 -6.754 -4.940 -5.727 162 2HG GLU 20 HG2 GLU 20 -8.339 -4.843 -4.962 163 H GLY 21 HN GLY 21 -10.252 -1.206 -8.127 164 1HA GLY 21 HA2 GLY 21 -10.992 -0.959 -10.299 165 2HA GLY 21 HA1 GLY 21 -10.543 -2.637 -10.596 166 H ASP 22 HN ASP 22 -12.489 -2.027 -7.900 167 HA ASP 22 HA ASP 22 -14.615 -2.449 -7.316 168 1HB ASP 22 HB3 ASP 22 -15.020 -1.691 -10.170 169 2HB ASP 22 HB2 ASP 22 -16.351 -2.457 -9.307 170 H GLU 23 HN GLU 23 -12.693 -4.426 -8.753 171 HA GLU 23 HA GLU 23 -14.364 -6.589 -9.595 172 1HB GLU 23 HB2 GLU 23 -11.461 -6.186 -9.016 173 2HB GLU 23 HB3 GLU 23 -12.080 -7.829 -9.043 174 1HG GLU 23 HG3 GLU 23 -13.087 -6.875 -11.358 175 2HG GLU 23 HG2 GLU 23 -11.573 -5.970 -11.240 176 HA PRO 24 HA PRO 24 -15.246 -8.650 -5.776 177 1HB PRO 24 HB2 PRO 24 -14.058 -11.135 -6.038 178 2HB PRO 24 HB3 PRO 24 -15.636 -10.704 -6.702 179 1HG PRO 24 HG2 PRO 24 -12.977 -10.819 -8.056 180 2HG PRO 24 HG3 PRO 24 -14.571 -11.307 -8.664 181 1HD PRO 24 HD3 PRO 24 -13.420 -8.993 -9.409 182 2HD PRO 24 HD2 PRO 24 -15.176 -9.131 -9.184 183 HA PRO 25 HA PRO 25 -11.934 -7.492 -3.123 184 1HB PRO 25 HB3 PRO 25 -12.550 -9.430 -1.146 185 2HB PRO 25 HB2 PRO 25 -13.068 -7.745 -1.194 186 1HG PRO 25 HG3 PRO 25 -14.505 -10.196 -2.081 187 2HG PRO 25 HG2 PRO 25 -15.151 -8.705 -1.367 188 1HD PRO 25 HD3 PRO 25 -15.435 -9.184 -3.969 189 2HD PRO 25 HD2 PRO 25 -15.039 -7.548 -3.395 190 H LYS 26 HN LYS 26 -9.909 -8.040 -2.726 191 HA LYS 26 HA LYS 26 -9.050 -10.827 -2.935 192 1HB LYS 26 HB3 LYS 26 -7.652 -8.580 -4.419 193 2HB LYS 26 HB2 LYS 26 -7.155 -10.262 -4.365 194 1HG LYS 26 HG2 LYS 26 -9.231 -10.872 -5.568 195 2HG LYS 26 HG3 LYS 26 -9.599 -9.152 -5.720 196 1HD LYS 26 HD2 LYS 26 -7.328 -8.903 -6.823 197 2HD LYS 26 HD3 LYS 26 -7.279 -10.666 -6.900 198 1HE LYS 26 HE2 LYS 26 -8.087 -9.753 -8.997 199 2HE LYS 26 HE3 LYS 26 -9.363 -10.663 -8.189 200 1HZ LYS 26 HZ1 LYS 26 -9.797 -8.296 -9.202 201 2HZ LYS 26 HZ2 LYS 26 -9.206 -7.779 -7.691 202 3HZ LYS 26 HZ3 LYS 26 -10.557 -8.793 -7.769 203 H LEU 27 HN LEU 27 -7.257 -11.258 -1.642 204 HA LEU 27 HA LEU 27 -6.790 -9.336 0.422 205 1HB LEU 27 HB3 LEU 27 -6.859 -11.772 0.844 206 2HB LEU 27 HB2 LEU 27 -5.399 -11.965 -0.102 207 HG LEU 27 HG LEU 27 -4.086 -10.819 1.536 208 1HD1 LEU 27 HD21 LEU 27 -4.866 -9.293 2.954 209 2HD1 LEU 27 HD22 LEU 27 -6.421 -9.443 2.140 210 3HD1 LEU 27 HD23 LEU 27 -6.091 -10.397 3.581 211 1HD2 LEU 27 HD11 LEU 27 -4.026 -12.536 2.977 212 2HD2 LEU 27 HD12 LEU 27 -5.718 -12.334 3.436 213 3HD2 LEU 27 HD13 LEU 27 -5.306 -13.210 1.966 214 H ARG 28 HN ARG 28 -5.984 -7.603 -0.622 215 HA ARG 28 HA ARG 28 -3.543 -7.773 -2.165 216 1HB ARG 28 HB2 ARG 28 -5.415 -5.523 -1.444 217 2HB ARG 28 HB3 ARG 28 -3.886 -5.239 -2.262 218 1HG ARG 28 HG3 ARG 28 -5.929 -7.130 -3.364 219 2HG ARG 28 HG2 ARG 28 -5.982 -5.394 -3.687 220 1HD ARG 28 HD3 ARG 28 -3.647 -5.543 -4.522 221 2HD ARG 28 HD2 ARG 28 -3.738 -7.294 -4.338 222 HE ARG 28 HE ARG 28 -5.889 -6.658 -5.893 223 1HH1 ARG 28 HH12 ARG 28 -2.727 -5.058 -7.055 224 2HH1 ARG 28 HH11 ARG 28 -2.228 -6.729 -7.010 225 1HH2 ARG 28 HH22 ARG 28 -5.877 -6.451 -8.177 226 2HH2 ARG 28 HH21 ARG 28 -4.381 -6.894 -8.943 227 H TYR 29 HN TYR 29 -1.727 -7.968 -1.076 228 HA TYR 29 HA TYR 29 -1.388 -6.905 1.568 229 1HB TYR 29 HB3 TYR 29 0.489 -8.245 -0.380 230 2HB TYR 29 HB2 TYR 29 1.045 -7.600 1.159 231 HD1 TYR 29 HD1 TYR 29 -1.655 -9.856 -0.133 232 HD2 TYR 29 HD2 TYR 29 1.194 -9.073 2.930 233 HE1 TYR 29 HE1 TYR 29 -2.266 -11.964 0.968 234 HE2 TYR 29 HE2 TYR 29 0.583 -11.181 4.041 235 HH TYR 29 HH TYR 29 -1.849 -13.364 2.627 236 H VAL 30 HN VAL 30 -1.201 -4.846 1.871 237 HA VAL 30 HA VAL 30 -0.138 -3.101 -0.211 238 HB VAL 30 HB VAL 30 -1.316 -2.267 2.440 239 1HG1 VAL 30 HG21 VAL 30 -0.822 -0.210 1.768 240 2HG1 VAL 30 HG22 VAL 30 -0.114 -0.846 0.283 241 3HG1 VAL 30 HG23 VAL 30 -1.827 -0.441 0.337 242 1HG2 VAL 30 HG11 VAL 30 -3.294 -2.976 1.719 243 2HG2 VAL 30 HG12 VAL 30 -3.172 -1.833 0.380 244 3HG2 VAL 30 HG13 VAL 30 -2.594 -3.489 0.183 245 H PHE 31 HN PHE 31 2.011 -2.896 -0.233 246 HA PHE 31 HA PHE 31 3.344 -2.340 2.344 247 1HB PHE 31 HB3 PHE 31 4.808 -3.381 -0.073 248 2HB PHE 31 HB2 PHE 31 5.343 -3.357 1.599 249 HD1 PHE 31 HD1 PHE 31 3.391 -5.111 -0.920 250 HD2 PHE 31 HD2 PHE 31 4.659 -5.079 3.150 251 HE1 PHE 31 HE1 PHE 31 2.765 -7.476 -0.701 252 HE2 PHE 31 HE2 PHE 31 4.032 -7.450 3.367 253 HZ PHE 31 HZ PHE 31 3.084 -8.649 1.438 254 H LEU 32 HN LEU 32 3.841 -0.186 2.419 255 HA LEU 32 HA LEU 32 4.364 1.138 -0.150 256 1HB LEU 32 HB2 LEU 32 4.482 2.755 2.303 257 2HB LEU 32 HB3 LEU 32 3.746 3.087 0.746 258 HG LEU 32 HG LEU 32 2.478 1.262 2.794 259 1HD1 LEU 32 HD11 LEU 32 2.837 3.753 3.453 260 2HD1 LEU 32 HD12 LEU 32 1.581 4.069 2.258 261 3HD1 LEU 32 HD13 LEU 32 1.238 3.031 3.643 262 1HD2 LEU 32 HD21 LEU 32 1.404 2.667 0.354 263 2HD2 LEU 32 HD22 LEU 32 1.781 0.950 0.472 264 3HD2 LEU 32 HD23 LEU 32 0.480 1.638 1.448 265 H PHE 33 HN PHE 33 6.378 0.869 -0.729 266 HA PHE 33 HA PHE 33 8.449 0.910 1.344 267 1HB PHE 33 HB2 PHE 33 8.359 -0.371 -1.379 268 2HB PHE 33 HB3 PHE 33 9.875 -0.166 -0.509 269 HD1 PHE 33 HD1 PHE 33 9.629 -2.790 -1.038 270 HD2 PHE 33 HD2 PHE 33 7.414 -0.636 1.889 271 HE1 PHE 33 HE1 PHE 33 9.196 -4.886 0.180 272 HE2 PHE 33 HE2 PHE 33 6.982 -2.722 3.106 273 HZ PHE 33 HZ PHE 33 7.871 -4.851 2.254 274 H ARG 34 HN ARG 34 7.488 3.388 0.514 275 HA ARG 34 HA ARG 34 8.265 5.458 0.014 276 1HB ARG 34 HB3 ARG 34 10.232 4.895 1.240 277 2HB ARG 34 HB2 ARG 34 10.883 3.974 -0.106 278 1HG ARG 34 HG2 ARG 34 11.053 6.083 -1.397 279 2HG ARG 34 HG3 ARG 34 10.549 6.960 0.053 280 1HD ARG 34 HD3 ARG 34 12.470 5.955 1.258 281 2HD ARG 34 HD2 ARG 34 12.993 5.220 -0.255 282 HE ARG 34 HE ARG 34 12.674 8.064 -0.465 283 1HH1 ARG 34 HH12 ARG 34 15.317 5.732 -0.813 284 2HH1 ARG 34 HH11 ARG 34 15.742 6.050 0.849 285 1HH2 ARG 34 HH21 ARG 34 15.155 8.961 -1.179 286 2HH2 ARG 34 HH22 ARG 34 15.477 9.119 0.529 287 H ASN 35 HN ASN 35 10.030 3.249 -2.180 288 HA ASN 35 HA ASN 35 10.028 5.085 -4.340 289 1HB ASN 35 HB2 ASN 35 10.337 2.075 -4.504 290 2HB ASN 35 HB3 ASN 35 10.867 3.256 -5.698 291 1HD2 ASN 35 HD21 ASN 35 12.142 1.205 -3.757 292 2HD2 ASN 35 HD22 ASN 35 13.377 2.087 -2.931 293 H LYS 36 HN LYS 36 7.788 2.662 -3.259 294 HA LYS 36 HA LYS 36 5.666 3.688 -4.807 295 1HB LYS 36 HB2 LYS 36 5.279 1.903 -6.366 296 2HB LYS 36 HB3 LYS 36 6.936 2.444 -6.595 297 1HG LYS 36 HG2 LYS 36 7.795 0.538 -5.432 298 2HG LYS 36 HG3 LYS 36 6.173 0.056 -4.929 299 1HD LYS 36 HD2 LYS 36 5.572 -0.286 -7.301 300 2HD LYS 36 HD3 LYS 36 7.233 0.101 -7.754 301 1HE LYS 36 HE2 LYS 36 8.068 -1.810 -6.574 302 2HE LYS 36 HE3 LYS 36 6.479 -2.141 -5.884 303 1HZ LYS 36 HZ1 LYS 36 7.513 -3.188 -8.200 304 2HZ LYS 36 HZ2 LYS 36 6.381 -2.042 -8.733 305 3HZ LYS 36 HZ3 LYS 36 5.900 -3.282 -7.685 306 H ILE 37 HN ILE 37 3.782 2.009 -4.754 307 HA ILE 37 HA ILE 37 3.714 0.894 -2.035 308 HB ILE 37 HB ILE 37 1.441 1.484 -3.959 309 1HG1 ILE 37 HG12 ILE 37 2.265 2.891 -1.413 310 2HG1 ILE 37 HG13 ILE 37 2.554 3.494 -3.041 311 1HG2 ILE 37 HG21 ILE 37 0.431 -0.109 -2.701 312 2HG2 ILE 37 HG22 ILE 37 1.586 0.057 -1.377 313 3HG2 ILE 37 HG23 ILE 37 0.267 1.215 -1.545 314 1HD1 ILE 37 HD11 ILE 37 0.610 4.511 -1.844 315 2HD1 ILE 37 HD12 ILE 37 0.236 3.819 -3.422 316 3HD1 ILE 37 HD13 ILE 37 -0.191 2.945 -1.950 317 H MET 38 HN MET 38 4.747 -1.046 -2.393 318 HA MET 38 HA MET 38 4.295 -2.704 -4.631 319 1HB MET 38 HB2 MET 38 6.319 -2.751 -3.116 320 2HB MET 38 HB3 MET 38 5.325 -3.590 -1.934 321 1HG MET 38 HG2 MET 38 5.002 -5.435 -3.463 322 2HG MET 38 HG3 MET 38 5.889 -4.579 -4.724 323 1HE MET 38 HE1 MET 38 7.737 -6.033 -0.784 324 2HE MET 38 HE2 MET 38 6.155 -5.284 -1.011 325 3HE MET 38 HE3 MET 38 6.410 -6.965 -1.477 326 H PHE 39 HN PHE 39 2.663 -3.902 -5.093 327 HA PHE 39 HA PHE 39 0.782 -4.681 -2.971 328 1HB PHE 39 HB3 PHE 39 0.476 -3.482 -5.551 329 2HB PHE 39 HB2 PHE 39 -0.376 -5.019 -5.523 330 HD1 PHE 39 HD1 PHE 39 -2.385 -3.644 -5.943 331 HD2 PHE 39 HD2 PHE 39 -0.126 -3.330 -2.356 332 HE1 PHE 39 HE1 PHE 39 -4.295 -2.550 -4.851 333 HE2 PHE 39 HE2 PHE 39 -2.040 -2.245 -1.250 334 HZ PHE 39 HZ PHE 39 -4.125 -1.852 -2.497 335 H THR 40 HN THR 40 0.144 -6.782 -2.797 336 HA THR 40 HA THR 40 1.088 -8.699 -4.796 337 HB THR 40 HB THR 40 1.325 -9.283 -1.841 338 HG1 THR 40 HG1 THR 40 2.905 -7.729 -3.363 339 1HG2 THR 40 HG21 THR 40 1.725 -11.339 -2.567 340 2HG2 THR 40 HG22 THR 40 3.190 -10.718 -3.329 341 3HG2 THR 40 HG23 THR 40 1.685 -10.807 -4.248 342 H GLU 41 HN GLU 41 -0.429 -10.112 -5.352 343 HA GLU 41 HA GLU 41 -3.033 -9.873 -4.108 344 1HB GLU 41 HB2 GLU 41 -2.170 -11.481 -6.516 345 2HB GLU 41 HB3 GLU 41 -3.827 -11.181 -6.017 346 1HG GLU 41 HG3 GLU 41 -3.493 -9.685 -7.747 347 2HG GLU 41 HG2 GLU 41 -3.263 -8.701 -6.304 348 H GLN 42 HN GLN 42 -4.339 -11.720 -3.585 349 HA GLN 42 HA GLN 42 -3.278 -14.320 -3.315 350 1HB GLN 42 HB3 GLN 42 -2.093 -13.109 -1.418 351 2HB GLN 42 HB2 GLN 42 -3.675 -12.905 -0.674 352 1HG GLN 42 HG3 GLN 42 -3.962 -15.334 -0.625 353 2HG GLN 42 HG2 GLN 42 -2.378 -15.532 -1.368 354 1HE2 GLN 42 HE21 GLN 42 -0.836 -16.034 -0.021 355 2HE2 GLN 42 HE22 GLN 42 -0.661 -15.440 1.592 356 H ASP 43 HN ASP 43 -4.937 -15.655 -3.372 357 HA ASP 43 HA ASP 43 -7.607 -14.612 -2.725 358 1HB ASP 43 HB3 ASP 43 -6.718 -16.826 -4.580 359 2HB ASP 43 HB2 ASP 43 -8.399 -16.591 -4.112 360 H ALA 44 HN ALA 44 -7.986 -15.111 -0.638 361 HA ALA 44 HA ALA 44 -7.093 -17.641 0.447 362 1HB ALA 44 HB1 ALA 44 -7.298 -16.687 2.462 363 2HB ALA 44 HB2 ALA 44 -7.410 -15.187 1.544 364 3HB ALA 44 HB3 ALA 44 -8.879 -16.001 2.090 365 H SER 45 HN SER 45 -9.344 -17.333 -1.629 366 HA SER 45 HA SER 45 -11.720 -18.237 -0.335 367 1HB SER 45 HB3 SER 45 -10.928 -18.455 -3.246 368 2HB SER 45 HB2 SER 45 -12.562 -18.578 -2.595 369 HG SER 45 HG SER 45 -12.181 -16.383 -1.764 370 H THR 46 HN THR 46 -8.879 -19.698 -1.577 371 HA THR 46 HA THR 46 -9.824 -22.342 -0.747 372 HB THR 46 HB THR 46 -8.424 -23.199 -2.762 373 HG1 THR 46 HG1 THR 46 -7.896 -21.796 -4.275 374 1HG2 THR 46 HG21 THR 46 -10.659 -21.885 -4.049 375 2HG2 THR 46 HG22 THR 46 -11.113 -22.690 -2.546 376 3HG2 THR 46 HG23 THR 46 -10.323 -23.601 -3.835 377 H SER 47 HN SER 47 -7.220 -23.561 -1.470 378 HA SER 47 HA SER 47 -5.688 -22.345 0.694 379 1HB SER 47 HB3 SER 47 -5.226 -24.953 -0.776 380 2HB SER 47 HB2 SER 47 -4.284 -24.373 0.599 381 HG SER 47 HG SER 47 -7.032 -24.443 0.960 382 HA PRO 48 HA PRO 48 -2.539 -21.835 -2.804 383 1HB PRO 48 HB3 PRO 48 -3.329 -22.816 -5.338 384 2HB PRO 48 HB2 PRO 48 -2.133 -23.532 -4.258 385 1HG PRO 48 HG2 PRO 48 -4.625 -24.623 -4.964 386 2HG PRO 48 HG3 PRO 48 -3.539 -25.199 -3.690 387 1HD PRO 48 HD2 PRO 48 -5.998 -23.562 -3.482 388 2HD PRO 48 HD3 PRO 48 -5.270 -24.670 -2.302 389 HA PRO 49 HA PRO 49 -5.262 -18.449 -4.012 390 1HB PRO 49 HB2 PRO 49 -3.500 -16.465 -3.731 391 2HB PRO 49 HB3 PRO 49 -4.164 -17.308 -2.323 392 1HG PRO 49 HG3 PRO 49 -1.560 -17.765 -3.743 393 2HG PRO 49 HG2 PRO 49 -1.844 -17.544 -2.005 394 1HD PRO 49 HD2 PRO 49 -1.573 -19.995 -3.111 395 2HD PRO 49 HD3 PRO 49 -2.665 -19.700 -1.741 396 H SER 50 HN SER 50 -4.830 -16.431 -5.426 397 HA SER 50 HA SER 50 -3.394 -17.208 -7.863 398 1HB SER 50 HB2 SER 50 -6.062 -15.773 -7.710 399 2HB SER 50 HB3 SER 50 -5.206 -16.225 -9.184 400 HG SER 50 HG SER 50 -6.777 -17.747 -7.517 401 H TYR 51 HN TYR 51 -2.869 -15.260 -9.216 402 HA TYR 51 HA TYR 51 -2.587 -12.842 -7.567 403 1HB TYR 51 HB2 TYR 51 -0.424 -14.200 -9.188 404 2HB TYR 51 HB3 TYR 51 -0.301 -12.538 -8.634 405 HD1 TYR 51 HD1 TYR 51 -0.920 -15.964 -7.281 406 HD2 TYR 51 HD2 TYR 51 0.795 -12.123 -6.647 407 HE1 TYR 51 HE1 TYR 51 0.060 -16.761 -5.177 408 HE2 TYR 51 HE2 TYR 51 1.784 -12.913 -4.534 409 HH TYR 51 HH TYR 51 1.278 -14.722 -2.830 410 H THR 52 HN THR 52 -2.028 -10.930 -8.878 411 HA THR 52 HA THR 52 -3.256 -11.097 -11.551 412 HB THR 52 HB THR 52 -2.978 -8.573 -9.910 413 HG1 THR 52 HG1 THR 52 -4.987 -10.565 -9.808 414 1HG2 THR 52 HG21 THR 52 -3.589 -8.555 -12.394 415 2HG2 THR 52 HG22 THR 52 -4.622 -7.660 -11.276 416 3HG2 THR 52 HG23 THR 52 -5.130 -9.238 -11.878 417 H HIS 53 HN HIS 53 -0.577 -11.625 -10.487 418 HA HIS 53 HA HIS 53 1.570 -11.489 -11.085 419 1HB HIS 53 HB3 HIS 53 0.543 -11.569 -13.384 420 2HB HIS 53 HB2 HIS 53 0.693 -9.816 -13.438 421 HD1 HIS 53 HD1 HIS 53 3.201 -12.505 -12.384 422 HD2 HIS 53 HD2 HIS 53 2.811 -9.306 -15.023 423 HE1 HIS 53 HE1 HIS 53 5.416 -12.319 -13.566 424 HE2 HIS 53 HE2 HIS 53 5.149 -10.408 -15.184 425 H TYR 54 HN TYR 54 0.978 -9.856 -9.097 426 HA TYR 54 HA TYR 54 1.663 -8.064 -7.903 427 1HB TYR 54 HB3 TYR 54 3.852 -8.071 -9.983 428 2HB TYR 54 HB2 TYR 54 3.856 -7.012 -8.580 429 HD1 TYR 54 HD1 TYR 54 3.678 -10.622 -9.488 430 HD2 TYR 54 HD2 TYR 54 4.864 -7.722 -6.611 431 HE1 TYR 54 HE1 TYR 54 4.775 -12.385 -8.173 432 HE2 TYR 54 HE2 TYR 54 5.969 -9.476 -5.290 433 HH TYR 54 HH TYR 54 6.563 -11.614 -5.191 434 H SER 55 HN SER 55 -0.295 -6.992 -8.551 435 HA SER 55 HA SER 55 0.028 -4.891 -10.576 436 1HB SER 55 HB3 SER 55 -2.404 -5.412 -8.855 437 2HB SER 55 HB2 SER 55 -2.328 -4.516 -10.373 438 HG SER 55 HG SER 55 -1.361 -6.915 -10.857 439 H SER 56 HN SER 56 1.727 -3.914 -9.276 440 HA SER 56 HA SER 56 1.093 -2.771 -6.735 441 1HB SER 56 HB3 SER 56 3.390 -1.668 -7.131 442 2HB SER 56 HB2 SER 56 3.322 -3.423 -6.969 443 HG SER 56 HG SER 56 3.353 -1.996 -9.437 444 H ILE 57 HN ILE 57 1.495 -0.554 -6.227 445 HA ILE 57 HA ILE 57 0.364 1.316 -8.204 446 HB ILE 57 HB ILE 57 0.209 1.138 -5.198 447 1HG1 ILE 57 HG12 ILE 57 -1.493 0.010 -6.634 448 2HG1 ILE 57 HG13 ILE 57 -2.166 1.206 -5.532 449 1HG2 ILE 57 HG21 ILE 57 0.550 3.567 -6.574 450 2HG2 ILE 57 HG22 ILE 57 -1.156 3.479 -6.138 451 3HG2 ILE 57 HG23 ILE 57 0.083 3.333 -4.891 452 1HD1 ILE 57 HD11 ILE 57 -3.144 1.230 -7.816 453 2HD1 ILE 57 HD12 ILE 57 -2.462 2.775 -7.297 454 3HD1 ILE 57 HD13 ILE 57 -1.574 1.751 -8.428 455 H ARG 58 HN ARG 58 1.367 3.495 -8.239 456 HA ARG 58 HA ARG 58 4.193 3.374 -7.478 457 1HB ARG 58 HB2 ARG 58 4.589 5.096 -9.082 458 2HB ARG 58 HB3 ARG 58 3.522 3.936 -9.860 459 1HG ARG 58 HG3 ARG 58 1.607 5.397 -9.379 460 2HG ARG 58 HG2 ARG 58 2.706 6.568 -8.649 461 1HD ARG 58 HD3 ARG 58 2.744 5.637 -11.515 462 2HD ARG 58 HD2 ARG 58 2.169 7.199 -10.930 463 HE ARG 58 HE ARG 58 4.823 6.858 -10.088 464 1HH1 ARG 58 HH11 ARG 58 3.246 7.898 -13.326 465 2HH1 ARG 58 HH12 ARG 58 4.523 6.845 -13.866 466 1HH2 ARG 58 HH21 ARG 58 6.170 8.847 -11.461 467 2HH2 ARG 58 HH22 ARG 58 6.635 7.609 -12.602 468 H LEU 59 HN LEU 59 5.137 5.151 -6.323 469 HA LEU 59 HA LEU 59 3.155 6.617 -4.715 470 1HB LEU 59 HB2 LEU 59 5.026 4.996 -3.748 471 2HB LEU 59 HB3 LEU 59 6.031 6.420 -3.943 472 HG LEU 59 HG LEU 59 4.572 7.692 -2.454 473 1HD1 LEU 59 HD11 LEU 59 2.794 5.455 -2.947 474 2HD1 LEU 59 HD12 LEU 59 2.969 5.807 -1.227 475 3HD1 LEU 59 HD13 LEU 59 2.442 7.074 -2.338 476 1HD2 LEU 59 HD21 LEU 59 5.462 6.863 -0.549 477 2HD2 LEU 59 HD22 LEU 59 4.989 5.203 -0.911 478 3HD2 LEU 59 HD23 LEU 59 6.398 5.910 -1.700 479 H ASP 60 HN ASP 60 3.477 7.643 -7.137 480 HA ASP 60 HA ASP 60 5.126 10.018 -6.672 481 1HB ASP 60 HB3 ASP 60 6.375 8.562 -8.182 482 2HB ASP 60 HB2 ASP 60 4.972 8.403 -9.231 483 H LYS 61 HN LYS 61 3.034 8.866 -9.322 484 HA LYS 61 HA LYS 61 1.575 11.398 -9.133 485 1HB LYS 61 HB2 LYS 61 1.921 9.456 -11.402 486 2HB LYS 61 HB3 LYS 61 0.777 10.788 -11.453 487 1HG LYS 61 HG3 LYS 61 2.732 12.320 -10.997 488 2HG LYS 61 HG2 LYS 61 3.771 10.924 -11.301 489 1HD LYS 61 HD3 LYS 61 2.890 10.689 -13.525 490 2HD LYS 61 HD2 LYS 61 1.703 11.958 -13.231 491 1HE LYS 61 HE2 LYS 61 3.579 13.556 -12.901 492 2HE LYS 61 HE3 LYS 61 4.698 12.273 -13.362 493 1HZ LYS 61 HZ1 LYS 61 3.453 14.028 -15.049 494 2HZ LYS 61 HZ2 LYS 61 2.594 12.581 -15.262 495 3HZ LYS 61 HZ3 LYS 61 4.274 12.613 -15.498 496 H TYR 62 HN TYR 62 0.408 10.333 -7.245 497 HA TYR 62 HA TYR 62 -2.068 9.242 -8.331 498 1HB TYR 62 HB3 TYR 62 -2.175 7.337 -7.020 499 2HB TYR 62 HB2 TYR 62 -0.451 7.398 -7.366 500 HD1 TYR 62 HD1 TYR 62 1.006 8.672 -5.569 501 HD2 TYR 62 HD2 TYR 62 -2.868 7.066 -4.845 502 HE1 TYR 62 HE1 TYR 62 1.460 8.663 -3.146 503 HE2 TYR 62 HE2 TYR 62 -2.427 7.049 -2.439 504 HH TYR 62 HH TYR 62 0.634 7.453 -1.093 505 H ASN 63 HN ASN 63 -3.910 9.826 -7.146 506 HA ASN 63 HA ASN 63 -3.411 11.906 -5.125 507 1HB ASN 63 HB3 ASN 63 -4.782 12.508 -7.148 508 2HB ASN 63 HB2 ASN 63 -5.984 11.344 -6.609 509 1HD2 ASN 63 HD21 ASN 63 -7.659 12.559 -6.023 510 2HD2 ASN 63 HD22 ASN 63 -7.589 13.925 -4.964 511 H ILE 64 HN ILE 64 -3.733 11.365 -3.098 512 HA ILE 64 HA ILE 64 -5.231 8.914 -2.585 513 HB ILE 64 HB ILE 64 -2.916 8.930 -1.831 514 1HG1 ILE 64 HG12 ILE 64 -3.371 8.211 0.522 515 2HG1 ILE 64 HG13 ILE 64 -5.009 8.842 0.349 516 1HG2 ILE 64 HG21 ILE 64 -2.473 11.182 -1.290 517 2HG2 ILE 64 HG22 ILE 64 -3.812 11.251 -0.144 518 3HG2 ILE 64 HG23 ILE 64 -2.377 10.295 0.231 519 1HD1 ILE 64 HD11 ILE 64 -4.061 6.929 -1.693 520 2HD1 ILE 64 HD12 ILE 64 -4.422 6.309 -0.082 521 3HD1 ILE 64 HD13 ILE 64 -5.667 7.155 -1.001 522 H ARG 65 HN ARG 65 -7.096 8.894 -1.690 523 HA ARG 65 HA ARG 65 -8.066 11.258 -0.212 524 1HB ARG 65 HB3 ARG 65 -9.869 9.132 -1.333 525 2HB ARG 65 HB2 ARG 65 -10.232 10.815 -0.985 526 1HG ARG 65 HG2 ARG 65 -8.483 9.854 -3.237 527 2HG ARG 65 HG3 ARG 65 -10.175 10.330 -3.388 528 1HD ARG 65 HD2 ARG 65 -8.135 12.198 -2.233 529 2HD ARG 65 HD3 ARG 65 -8.347 12.050 -3.976 530 HE ARG 65 HE ARG 65 -9.989 13.505 -2.194 531 1HH1 ARG 65 HH12 ARG 65 -11.328 11.161 -4.775 532 2HH1 ARG 65 HH11 ARG 65 -10.727 12.414 -5.819 533 1HH2 ARG 65 HH22 ARG 65 -11.690 14.817 -3.824 534 2HH2 ARG 65 HH21 ARG 65 -12.865 13.532 -3.759 535 H GLN 66 HN GLN 66 -10.010 10.346 1.337 536 HA GLN 66 HA GLN 66 -9.605 7.757 2.391 537 1HB GLN 66 HB2 GLN 66 -8.592 8.180 4.495 538 2HB GLN 66 HB3 GLN 66 -7.560 8.932 3.288 539 1HG GLN 66 HG2 GLN 66 -9.624 10.539 4.735 540 2HG GLN 66 HG3 GLN 66 -8.065 10.190 5.476 541 1HE2 GLN 66 HE21 GLN 66 -6.421 11.424 5.000 542 2HE2 GLN 66 HE22 GLN 66 -6.223 12.369 3.578 543 H HIS 67 HN HIS 67 -11.001 7.299 4.197 544 HA HIS 67 HA HIS 67 -13.103 9.317 4.640 545 1HB HIS 67 HB3 HIS 67 -13.592 6.359 4.182 546 2HB HIS 67 HB2 HIS 67 -14.807 7.520 4.676 547 HD1 HIS 67 HD1 HIS 67 -16.152 6.715 2.570 548 HD2 HIS 67 HD2 HIS 67 -12.608 8.725 1.725 549 HE1 HIS 67 HE1 HIS 67 -16.257 7.286 0.119 550 HE2 HIS 67 HE2 HIS 67 -14.140 8.571 -0.356 551 H THR 68 HN THR 68 -14.062 9.215 6.717 552 HA THR 68 HA THR 68 -12.915 7.277 8.586 553 HB THR 68 HB THR 68 -13.129 10.074 9.571 554 HG1 THR 68 HG1 THR 68 -12.033 10.103 7.444 555 1HG2 THR 68 HG21 THR 68 -10.687 9.100 10.297 556 2HG2 THR 68 HG22 THR 68 -11.670 7.637 10.238 557 3HG2 THR 68 HG23 THR 68 -12.158 8.989 11.261 558 H THR 69 HN THR 69 -14.304 9.631 10.393 559 HA THR 69 HA THR 69 -16.231 9.822 11.532 560 HB THR 69 HB THR 69 -17.542 8.884 8.972 561 HG1 THR 69 HG1 THR 69 -16.189 11.174 9.624 562 1HG2 THR 69 HG21 THR 69 -19.058 9.027 10.934 563 2HG2 THR 69 HG22 THR 69 -19.451 10.157 9.640 564 3HG2 THR 69 HG23 THR 69 -18.624 10.731 11.087 565 H ASP 70 HN ASP 70 -15.190 8.019 12.607 566 HA ASP 70 HA ASP 70 -15.336 6.119 13.864 567 1HB ASP 70 HB3 ASP 70 -18.158 6.522 13.024 568 2HB ASP 70 HB2 ASP 70 -17.735 4.952 13.701 569 H GLU 71 HN GLU 71 -14.819 6.075 10.840 570 HA GLU 71 HA GLU 71 -14.735 3.160 10.673 571 1HB GLU 71 HB3 GLU 71 -16.699 4.381 9.318 572 2HB GLU 71 HB2 GLU 71 -15.400 4.594 8.150 573 1HG GLU 71 HG3 GLU 71 -15.020 2.067 8.396 574 2HG GLU 71 HG2 GLU 71 -16.598 2.045 9.179 575 H ASP 72 HN ASP 72 -13.781 3.355 7.889 576 HA ASP 72 HA ASP 72 -11.448 5.004 7.833 577 1HB ASP 72 HB2 ASP 72 -9.759 3.374 8.103 578 2HB ASP 72 HB3 ASP 72 -10.878 3.043 9.422 579 H THR 73 HN THR 73 -10.350 4.805 5.830 580 HA THR 73 HA THR 73 -10.876 2.933 3.802 581 HB THR 73 HB THR 73 -12.317 5.587 3.430 582 HG1 THR 73 HG1 THR 73 -13.270 3.497 4.585 583 1HG2 THR 73 HG21 THR 73 -13.219 4.046 1.427 584 2HG2 THR 73 HG22 THR 73 -11.544 3.503 1.530 585 3HG2 THR 73 HG23 THR 73 -11.906 5.210 1.276 586 H ILE 74 HN ILE 74 -9.418 3.253 2.121 587 HA ILE 74 HA ILE 74 -7.939 5.791 2.089 588 HB ILE 74 HB ILE 74 -6.682 3.048 1.770 589 1HG1 ILE 74 HG13 ILE 74 -7.227 3.576 4.128 590 2HG1 ILE 74 HG12 ILE 74 -5.491 3.507 3.846 591 1HG2 ILE 74 HG21 ILE 74 -5.614 4.675 0.350 592 2HG2 ILE 74 HG22 ILE 74 -5.485 5.816 1.687 593 3HG2 ILE 74 HG23 ILE 74 -4.556 4.312 1.711 594 1HD1 ILE 74 HD11 ILE 74 -5.881 6.126 3.482 595 2HD1 ILE 74 HD12 ILE 74 -7.201 5.786 4.601 596 3HD1 ILE 74 HD13 ILE 74 -5.536 5.407 5.053 597 H VAL 75 HN VAL 75 -8.740 6.611 0.251 598 HA VAL 75 HA VAL 75 -9.255 4.825 -2.005 599 HB VAL 75 HB VAL 75 -9.982 7.735 -1.693 600 1HG1 VAL 75 HG21 VAL 75 -11.624 6.096 -3.445 601 2HG1 VAL 75 HG22 VAL 75 -10.884 7.670 -3.729 602 3HG1 VAL 75 HG23 VAL 75 -9.944 6.197 -3.975 603 1HG2 VAL 75 HG11 VAL 75 -12.319 6.712 -1.358 604 2HG2 VAL 75 HG12 VAL 75 -11.448 5.241 -0.927 605 3HG2 VAL 75 HG13 VAL 75 -11.199 6.718 0.003 606 H LEU 76 HN LEU 76 -7.742 4.597 -3.518 607 HA LEU 76 HA LEU 76 -5.853 6.796 -3.954 608 1HB LEU 76 HB2 LEU 76 -5.730 3.895 -4.804 609 2HB LEU 76 HB3 LEU 76 -4.567 5.108 -5.302 610 HG LEU 76 HG LEU 76 -4.104 5.476 -2.821 611 1HD1 LEU 76 HD11 LEU 76 -5.111 2.714 -2.374 612 2HD1 LEU 76 HD12 LEU 76 -4.852 4.028 -1.224 613 3HD1 LEU 76 HD13 LEU 76 -6.254 4.057 -2.289 614 1HD2 LEU 76 HD21 LEU 76 -3.052 3.691 -4.685 615 2HD2 LEU 76 HD22 LEU 76 -2.279 4.286 -3.215 616 3HD2 LEU 76 HD23 LEU 76 -3.192 2.773 -3.187 617 H GLN 77 HN GLN 77 -6.432 8.168 -5.440 618 HA GLN 77 HA GLN 77 -8.109 7.267 -7.670 619 1HB GLN 77 HB3 GLN 77 -8.828 9.177 -6.152 620 2HB GLN 77 HB2 GLN 77 -7.507 10.111 -6.839 621 1HG GLN 77 HG3 GLN 77 -8.489 10.069 -8.999 622 2HG GLN 77 HG2 GLN 77 -9.693 8.885 -8.496 623 1HE2 GLN 77 HE21 GLN 77 -11.614 9.636 -7.998 624 2HE2 GLN 77 HE22 GLN 77 -11.990 11.299 -7.692 625 HA PRO 78 HA PRO 78 -4.486 7.681 -10.209 626 1HB PRO 78 HB3 PRO 78 -6.099 7.092 -12.511 627 2HB PRO 78 HB2 PRO 78 -4.995 6.019 -11.653 628 1HG PRO 78 HG3 PRO 78 -7.730 5.721 -11.717 629 2HG PRO 78 HG2 PRO 78 -6.675 5.057 -10.458 630 1HD PRO 78 HD3 PRO 78 -8.375 7.512 -10.409 631 2HD PRO 78 HD2 PRO 78 -8.040 6.343 -9.113 632 H GLN 79 HN GLN 79 -3.965 9.846 -10.360 633 HA GLN 79 HA GLN 79 -5.673 11.722 -11.687 634 1HB GLN 79 HB3 GLN 79 -3.784 13.301 -11.445 635 2HB GLN 79 HB2 GLN 79 -4.223 12.524 -9.931 636 1HG GLN 79 HG3 GLN 79 -2.332 11.008 -10.143 637 2HG GLN 79 HG2 GLN 79 -1.899 11.757 -11.680 638 1HE2 GLN 79 HE21 GLN 79 -1.341 11.770 -8.408 639 2HE2 GLN 79 HE22 GLN 79 -0.521 13.285 -8.288 640 H GLU 80 HN GLU 80 -3.714 9.314 -12.745 641 HA GLU 80 HA GLU 80 -3.693 10.370 -15.457 642 1HB GLU 80 HB3 GLU 80 -1.307 9.571 -13.892 643 2HB GLU 80 HB2 GLU 80 -1.391 8.957 -15.539 644 1HG GLU 80 HG3 GLU 80 -1.790 11.311 -16.293 645 2HG GLU 80 HG2 GLU 80 -1.438 11.822 -14.644 646 HA PRO 81 HA PRO 81 -5.523 6.445 -16.270 647 1HB PRO 81 HB2 PRO 81 -4.492 6.718 -19.014 648 2HB PRO 81 HB3 PRO 81 -6.161 6.657 -18.439 649 1HG PRO 81 HG3 PRO 81 -5.098 8.932 -19.353 650 2HG PRO 81 HG2 PRO 81 -6.220 8.929 -17.978 651 1HD PRO 81 HD3 PRO 81 -3.221 9.096 -17.971 652 2HD PRO 81 HD2 PRO 81 -4.400 10.052 -17.045 653 H GLY 82 HN GLY 82 -3.126 5.996 -15.046 654 1HA GLY 82 HA1 GLY 82 -2.076 3.727 -16.612 655 2HA GLY 82 HA2 GLY 82 -0.965 4.839 -15.820 656 H LEU 83 HN LEU 83 -3.649 4.696 -13.966 657 HA LEU 83 HA LEU 83 -2.739 2.401 -12.373 658 1HB LEU 83 HB3 LEU 83 -3.414 5.177 -11.396 659 2HB LEU 83 HB2 LEU 83 -3.250 3.792 -10.337 660 HG LEU 83 HG LEU 83 -1.041 4.826 -12.109 661 1HD1 LEU 83 HD21 LEU 83 -0.084 5.722 -9.991 662 2HD1 LEU 83 HD22 LEU 83 -1.551 6.545 -10.515 663 3HD1 LEU 83 HD23 LEU 83 -1.620 5.370 -9.198 664 1HD2 LEU 83 HD11 LEU 83 0.343 3.477 -10.479 665 2HD2 LEU 83 HD12 LEU 83 -1.171 2.758 -9.932 666 3HD2 LEU 83 HD13 LEU 83 -0.652 2.554 -11.606 667 HA PRO 84 HA PRO 84 -7.070 1.488 -12.211 668 1HB PRO 84 HB2 PRO 84 -6.766 -0.162 -9.909 669 2HB PRO 84 HB3 PRO 84 -6.822 -0.669 -11.596 670 1HG PRO 84 HG2 PRO 84 -4.603 -0.852 -9.943 671 2HG PRO 84 HG3 PRO 84 -4.568 -0.896 -11.713 672 1HD PRO 84 HD3 PRO 84 -3.952 1.356 -9.859 673 2HD PRO 84 HD2 PRO 84 -3.224 0.944 -11.427 674 H SER 85 HN SER 85 -8.931 1.477 -10.680 675 HA SER 85 HA SER 85 -8.529 3.525 -8.597 676 1HB SER 85 HB2 SER 85 -11.099 2.776 -10.017 677 2HB SER 85 HB3 SER 85 -10.878 4.104 -8.877 678 HG SER 85 HG SER 85 -9.392 3.898 -11.287 679 H PHE 86 HN PHE 86 -8.489 2.694 -6.593 680 HA PHE 86 HA PHE 86 -10.512 0.726 -5.890 681 1HB PHE 86 HB2 PHE 86 -9.034 -0.895 -5.004 682 2HB PHE 86 HB3 PHE 86 -8.431 -0.511 -6.608 683 HD1 PHE 86 HD1 PHE 86 -7.820 -0.047 -2.997 684 HD2 PHE 86 HD2 PHE 86 -6.300 0.403 -6.945 685 HE1 PHE 86 HE1 PHE 86 -5.577 0.383 -2.083 686 HE2 PHE 86 HE2 PHE 86 -4.058 0.829 -6.034 687 HZ PHE 86 HZ PHE 86 -3.698 0.807 -3.595 688 H ARG 87 HN ARG 87 -10.697 0.381 -3.581 689 HA ARG 87 HA ARG 87 -9.746 2.685 -2.001 690 1HB ARG 87 HB2 ARG 87 -12.387 1.237 -1.727 691 2HB ARG 87 HB3 ARG 87 -11.827 2.559 -0.734 692 1HG ARG 87 HG3 ARG 87 -13.266 3.651 -2.137 693 2HG ARG 87 HG2 ARG 87 -11.753 3.841 -3.027 694 1HD ARG 87 HD3 ARG 87 -13.584 3.142 -4.499 695 2HD ARG 87 HD2 ARG 87 -12.313 1.921 -4.419 696 HE ARG 87 HE ARG 87 -14.308 1.364 -2.491 697 1HH1 ARG 87 HH11 ARG 87 -13.803 1.274 -5.968 698 2HH1 ARG 87 HH12 ARG 87 -15.238 0.313 -6.231 699 1HH2 ARG 87 HH22 ARG 87 -16.568 -0.047 -3.789 700 2HH2 ARG 87 HH21 ARG 87 -15.315 -1.248 -3.677 701 H ILE 88 HN ILE 88 -7.990 1.428 -1.093 702 HA ILE 88 HA ILE 88 -8.281 -1.175 -0.142 703 HB ILE 88 HB ILE 88 -6.426 -0.270 1.624 704 1HG1 ILE 88 HG12 ILE 88 -6.114 1.387 -0.882 705 2HG1 ILE 88 HG13 ILE 88 -6.519 2.011 0.716 706 1HG2 ILE 88 HG21 ILE 88 -4.900 -1.453 0.347 707 2HG2 ILE 88 HG22 ILE 88 -6.448 -2.154 -0.128 708 3HG2 ILE 88 HG23 ILE 88 -5.647 -0.983 -1.180 709 1HD1 ILE 88 HD11 ILE 88 -4.131 2.274 0.053 710 2HD1 ILE 88 HD12 ILE 88 -4.386 1.415 1.575 711 3HD1 ILE 88 HD13 ILE 88 -3.985 0.518 0.107 712 H LYS 89 HN LYS 89 -9.187 -2.072 1.448 713 HA LYS 89 HA LYS 89 -9.843 -0.597 3.877 714 1HB LYS 89 HB2 LYS 89 -11.757 -2.029 2.035 715 2HB LYS 89 HB3 LYS 89 -12.117 -1.783 3.736 716 1HG LYS 89 HG3 LYS 89 -11.367 0.573 2.100 717 2HG LYS 89 HG2 LYS 89 -12.978 -0.130 1.889 718 1HD LYS 89 HD2 LYS 89 -11.721 0.949 4.425 719 2HD LYS 89 HD3 LYS 89 -13.129 1.584 3.571 720 1HE LYS 89 HE3 LYS 89 -14.421 -0.369 4.140 721 2HE LYS 89 HE2 LYS 89 -13.009 -1.145 4.852 722 1HZ LYS 89 HZ1 LYS 89 -12.976 0.744 6.490 723 2HZ LYS 89 HZ2 LYS 89 -14.307 -0.304 6.619 724 3HZ LYS 89 HZ3 LYS 89 -14.492 1.210 5.885 725 HA PRO 90 HA PRO 90 -8.946 -4.703 5.392 726 1HB PRO 90 HB2 PRO 90 -9.381 -4.295 7.985 727 2HB PRO 90 HB3 PRO 90 -8.116 -3.386 7.150 728 1HG PRO 90 HG3 PRO 90 -10.804 -2.494 8.053 729 2HG PRO 90 HG2 PRO 90 -9.298 -1.572 7.921 730 1HD PRO 90 HD3 PRO 90 -11.440 -1.673 6.042 731 2HD PRO 90 HD2 PRO 90 -9.874 -0.856 5.854 732 H LYS 91 HN LYS 91 -11.089 -5.233 4.049 733 HA LYS 91 HA LYS 91 -13.547 -5.390 5.419 734 1HB LYS 91 HB2 LYS 91 -12.982 -5.605 2.870 735 2HB LYS 91 HB3 LYS 91 -12.874 -7.321 3.232 736 1HG LYS 91 HG3 LYS 91 -15.295 -5.867 4.137 737 2HG LYS 91 HG2 LYS 91 -15.119 -6.200 2.414 738 1HD LYS 91 HD2 LYS 91 -14.721 -8.611 3.029 739 2HD LYS 91 HD3 LYS 91 -15.177 -8.183 4.681 740 1HE LYS 91 HE2 LYS 91 -17.369 -7.587 4.029 741 2HE LYS 91 HE3 LYS 91 -16.948 -7.615 2.319 742 1HZ LYS 91 HZ1 LYS 91 -18.245 -9.558 3.150 743 2HZ LYS 91 HZ2 LYS 91 -16.880 -10.026 4.038 744 3HZ LYS 91 HZ3 LYS 91 -16.803 -9.956 2.345 745 H ASP 92 HN ASP 92 -10.865 -7.635 5.204 746 HA ASP 92 HA ASP 92 -12.123 -9.915 6.272 747 1HB ASP 92 HB3 ASP 92 -9.908 -9.866 5.111 748 2HB ASP 92 HB2 ASP 92 -9.224 -9.099 6.541 749 H PHE 93 HN PHE 93 -10.564 -7.148 7.735 750 HA PHE 93 HA PHE 93 -11.821 -7.705 10.284 751 1HB PHE 93 HB2 PHE 93 -9.388 -8.741 10.112 752 2HB PHE 93 HB3 PHE 93 -8.887 -7.074 10.376 753 HD1 PHE 93 HD1 PHE 93 -11.469 -9.367 11.757 754 HD2 PHE 93 HD2 PHE 93 -8.330 -6.614 12.572 755 HE1 PHE 93 HE1 PHE 93 -11.813 -9.698 14.164 756 HE2 PHE 93 HE2 PHE 93 -8.671 -6.939 14.989 757 HZ PHE 93 HZ PHE 93 -10.415 -8.483 15.785 758 H GLU 94 HN GLU 94 -13.007 -5.890 9.936 759 HA GLU 94 HA GLU 94 -11.763 -3.421 9.089 760 1HB GLU 94 HB3 GLU 94 -14.005 -4.031 8.301 761 2HB GLU 94 HB2 GLU 94 -14.611 -3.924 9.948 762 1HG GLU 94 HG3 GLU 94 -14.197 -1.571 10.016 763 2HG GLU 94 HG2 GLU 94 -13.380 -1.622 8.453 764 H THR 95 HN THR 95 -13.336 -4.546 12.051 765 HA THR 95 HA THR 95 -12.964 -2.104 13.435 766 HB THR 95 HB THR 95 -13.364 -4.885 14.558 767 HG1 THR 95 HG1 THR 95 -15.039 -3.077 13.276 768 1HG2 THR 95 HG21 THR 95 -12.800 -2.680 16.010 769 2HG2 THR 95 HG22 THR 95 -13.824 -4.004 16.567 770 3HG2 THR 95 HG23 THR 95 -14.555 -2.553 15.883 771 H SER 96 HN SER 96 -10.871 -1.434 13.226 772 HA SER 96 HA SER 96 -8.934 -2.411 15.039 773 1HB SER 96 HB2 SER 96 -8.360 -2.571 12.064 774 2HB SER 96 HB3 SER 96 -7.195 -2.859 13.353 775 HG SER 96 HG SER 96 -9.354 -4.429 13.684 776 H GLU 97 HN GLU 97 -10.183 -0.185 15.097 777 HA GLU 97 HA GLU 97 -9.576 1.960 13.463 778 1HB GLU 97 HB3 GLU 97 -11.260 2.073 15.215 779 2HB GLU 97 HB2 GLU 97 -10.017 1.941 16.450 780 1HG GLU 97 HG3 GLU 97 -9.065 4.089 15.620 781 2HG GLU 97 HG2 GLU 97 -10.467 4.235 14.562 782 H TYR 98 HN TYR 98 -7.830 0.828 16.305 783 HA TYR 98 HA TYR 98 -5.896 2.808 16.494 784 1HB TYR 98 HB2 TYR 98 -5.547 -0.138 17.067 785 2HB TYR 98 HB3 TYR 98 -4.551 1.168 17.707 786 HD1 TYR 98 HD1 TYR 98 -5.749 2.961 19.134 787 HD2 TYR 98 HD2 TYR 98 -7.447 -0.830 18.213 788 HE1 TYR 98 HE1 TYR 98 -7.318 3.210 21.017 789 HE2 TYR 98 HE2 TYR 98 -9.005 -0.596 20.093 790 HH TYR 98 HH TYR 98 -9.383 2.380 21.822 791 H VAL 99 HN VAL 99 -5.618 -0.268 14.724 792 HA VAL 99 HA VAL 99 -3.075 0.383 13.614 793 HB VAL 99 HB VAL 99 -5.068 -1.738 12.800 794 1HG1 VAL 99 HG21 VAL 99 -3.663 -1.528 10.947 795 2HG1 VAL 99 HG22 VAL 99 -2.244 -1.202 11.941 796 3HG1 VAL 99 HG23 VAL 99 -2.932 -2.827 11.887 797 1HG2 VAL 99 HG11 VAL 99 -4.416 -2.179 15.019 798 2HG2 VAL 99 HG12 VAL 99 -3.399 -3.216 14.015 799 3HG2 VAL 99 HG13 VAL 99 -2.740 -1.732 14.696 800 H ARG 100 HN ARG 100 -6.379 0.371 12.285 801 HA ARG 100 HA ARG 100 -5.587 1.096 9.672 802 1HB ARG 100 HB2 ARG 100 -8.164 0.872 11.112 803 2HB ARG 100 HB3 ARG 100 -8.147 1.850 9.650 804 1HG ARG 100 HG3 ARG 100 -8.789 -0.460 9.191 805 2HG ARG 100 HG2 ARG 100 -7.285 -0.030 8.373 806 1HD ARG 100 HD2 ARG 100 -6.155 -1.039 10.481 807 2HD ARG 100 HD3 ARG 100 -7.718 -1.816 10.734 808 HE ARG 100 HE ARG 100 -6.793 -2.214 8.079 809 1HH1 ARG 100 HH11 ARG 100 -7.343 -4.257 10.914 810 2HH1 ARG 100 HH12 ARG 100 -5.632 -4.506 11.101 811 1HH2 ARG 100 HH22 ARG 100 -5.037 -4.236 7.817 812 2HH2 ARG 100 HH21 ARG 100 -6.245 -5.374 8.350 813 H LYS 101 HN LYS 101 -6.765 3.117 12.369 814 HA LYS 101 HA LYS 101 -6.902 5.495 10.841 815 1HB LYS 101 HB2 LYS 101 -7.769 4.913 13.256 816 2HB LYS 101 HB3 LYS 101 -6.228 5.586 13.753 817 1HG LYS 101 HG3 LYS 101 -6.756 7.700 12.845 818 2HG LYS 101 HG2 LYS 101 -8.144 7.045 11.974 819 1HD LYS 101 HD3 LYS 101 -8.901 8.288 13.913 820 2HD LYS 101 HD2 LYS 101 -9.255 6.572 14.113 821 1HE LYS 101 HE2 LYS 101 -7.264 6.334 15.519 822 2HE LYS 101 HE3 LYS 101 -6.938 8.057 15.339 823 1HZ LYS 101 HZ1 LYS 101 -8.369 8.521 16.954 824 2HZ LYS 101 HZ2 LYS 101 -8.497 6.858 17.267 825 3HZ LYS 101 HZ3 LYS 101 -9.602 7.611 16.226 826 H ALA 102 HN ALA 102 -4.311 3.808 12.386 827 HA ALA 102 HA ALA 102 -2.397 5.901 12.396 828 1HB ALA 102 HB1 ALA 102 -1.744 4.174 13.756 829 2HB ALA 102 HB2 ALA 102 -2.278 2.932 12.621 830 3HB ALA 102 HB3 ALA 102 -0.788 3.823 12.315 831 H TRP 103 HN TRP 103 -3.555 3.686 9.956 832 HA TRP 103 HA TRP 103 -1.434 4.187 8.083 833 1HB TRP 103 HB3 TRP 103 -4.022 2.720 8.017 834 2HB TRP 103 HB2 TRP 103 -3.356 3.261 6.481 835 HD1 TRP 103 HD1 TRP 103 -2.259 1.106 9.517 836 HE1 TRP 103 HE1 TRP 103 -0.679 -0.730 8.639 837 HE3 TRP 103 HE3 TRP 103 -1.957 2.565 4.632 838 HZ2 TRP 103 HZ2 TRP 103 0.531 -1.453 6.172 839 HZ3 TRP 103 HZ3 TRP 103 -0.575 1.260 3.084 840 HH2 TRP 103 HH2 TRP 103 0.645 -0.705 3.832 841 H LEU 104 HN LEU 104 -4.581 5.549 8.806 842 HA LEU 104 HA LEU 104 -4.897 7.076 6.449 843 1HB LEU 104 HB2 LEU 104 -6.063 7.127 9.182 844 2HB LEU 104 HB3 LEU 104 -6.218 8.587 8.229 845 HG LEU 104 HG LEU 104 -7.297 7.167 6.432 846 1HD1 LEU 104 HD11 LEU 104 -6.819 5.129 8.522 847 2HD1 LEU 104 HD12 LEU 104 -8.359 5.060 7.664 848 3HD1 LEU 104 HD13 LEU 104 -6.844 4.970 6.766 849 1HD2 LEU 104 HD21 LEU 104 -9.352 6.747 8.155 850 2HD2 LEU 104 HD22 LEU 104 -8.391 7.927 9.045 851 3HD2 LEU 104 HD23 LEU 104 -8.964 8.302 7.419 852 H ARG 105 HN ARG 105 -3.288 7.688 9.513 853 HA ARG 105 HA ARG 105 -2.658 10.423 8.955 854 1HB ARG 105 HB2 ARG 105 -1.105 8.616 10.804 855 2HB ARG 105 HB3 ARG 105 -1.283 10.361 10.897 856 1HG ARG 105 HG3 ARG 105 -3.568 10.151 11.592 857 2HG ARG 105 HG2 ARG 105 -3.524 8.404 11.338 858 1HD ARG 105 HD3 ARG 105 -2.251 10.038 13.488 859 2HD ARG 105 HD2 ARG 105 -3.192 8.551 13.613 860 HE ARG 105 HE ARG 105 -0.828 8.009 12.203 861 1HH1 ARG 105 HH11 ARG 105 -1.456 9.055 15.621 862 2HH1 ARG 105 HH12 ARG 105 -1.030 7.428 16.082 863 1HH2 ARG 105 HH21 ARG 105 0.562 6.313 13.717 864 2HH2 ARG 105 HH22 ARG 105 1.453 7.692 14.296 865 H ASP 106 HN ASP 106 -0.859 7.381 8.818 866 HA ASP 106 HA ASP 106 1.561 8.467 7.891 867 1HB ASP 106 HB2 ASP 106 0.853 6.059 8.833 868 2HB ASP 106 HB3 ASP 106 0.891 5.688 7.110 869 H ILE 107 HN ILE 107 -1.183 7.092 6.063 870 HA ILE 107 HA ILE 107 0.100 7.282 3.531 871 HB ILE 107 HB ILE 107 -2.029 5.941 4.202 872 1HG1 ILE 107 HG12 ILE 107 -2.901 6.239 1.766 873 2HG1 ILE 107 HG13 ILE 107 -1.528 7.326 1.586 874 1HG2 ILE 107 HG21 ILE 107 -3.194 8.630 3.563 875 2HG2 ILE 107 HG22 ILE 107 -4.116 7.140 3.362 876 3HG2 ILE 107 HG23 ILE 107 -3.505 7.594 4.955 877 1HD1 ILE 107 HD11 ILE 107 -1.023 4.628 2.703 878 2HD1 ILE 107 HD12 ILE 107 -1.366 4.772 0.980 879 3HD1 ILE 107 HD13 ILE 107 -0.003 5.644 1.686 880 H ALA 108 HN ALA 108 -1.692 9.529 5.488 881 HA ALA 108 HA ALA 108 -2.265 11.447 3.481 882 1HB ALA 108 HB1 ALA 108 -2.121 11.627 6.479 883 2HB ALA 108 HB2 ALA 108 -2.621 12.969 5.450 884 3HB ALA 108 HB3 ALA 108 -3.558 11.475 5.469 885 H GLU 109 HN GLU 109 0.609 10.619 5.115 886 HA GLU 109 HA GLU 109 2.104 12.625 3.725 887 1HB GLU 109 HB2 GLU 109 3.060 13.663 5.800 888 2HB GLU 109 HB3 GLU 109 1.364 14.042 5.522 889 1HG GLU 109 HG2 GLU 109 0.749 12.269 7.135 890 2HG GLU 109 HG3 GLU 109 2.461 12.022 7.464 891 H GLU 110 HN GLU 110 2.634 10.270 3.149 892 HA GLU 110 HA GLU 110 4.112 8.622 4.877 893 1HB GLU 110 HB3 GLU 110 4.439 8.798 1.877 894 2HB GLU 110 HB2 GLU 110 4.798 7.423 2.914 895 1HG GLU 110 HG2 GLU 110 2.529 6.979 3.298 896 2HG GLU 110 HG3 GLU 110 2.033 8.540 2.639 897 H GLN 111 HN GLN 111 5.857 9.298 5.917 898 HA GLN 111 HA GLN 111 7.812 10.339 6.420 899 1HB GLN 111 HB2 GLN 111 8.310 8.250 5.011 900 2HB GLN 111 HB3 GLN 111 8.690 9.371 3.712 901 1HG GLN 111 HG3 GLN 111 10.509 10.269 4.869 902 2HG GLN 111 HG2 GLN 111 9.988 9.557 6.397 903 1HE2 GLN 111 HE21 GLN 111 11.652 9.064 3.441 904 2HE2 GLN 111 HE22 GLN 111 12.090 7.415 3.674 905 H GLU 112 HN GLU 112 5.998 12.157 5.396 906 HA GLU 112 HA GLU 112 6.646 13.749 3.292 907 1HB GLU 112 HB2 GLU 112 4.736 13.694 5.116 908 2HB GLU 112 HB3 GLU 112 5.713 14.963 5.843 909 1HG GLU 112 HG3 GLU 112 5.310 15.325 3.017 910 2HG GLU 112 HG2 GLU 112 3.807 15.263 3.924 911 H LYS 113 HN LYS 113 7.534 14.417 6.680 912 HA LYS 113 HA LYS 113 9.325 16.515 5.975 913 1HB LYS 113 HB3 LYS 113 8.828 15.033 8.552 914 2HB LYS 113 HB2 LYS 113 10.031 16.309 8.416 915 1HG LYS 113 HG3 LYS 113 8.107 17.330 9.300 916 2HG LYS 113 HG2 LYS 113 8.171 17.810 7.604 917 1HD LYS 113 HD2 LYS 113 6.571 15.938 7.112 918 2HD LYS 113 HD3 LYS 113 6.388 15.731 8.856 919 1HE LYS 113 HE2 LYS 113 4.593 17.107 7.993 920 2HE LYS 113 HE3 LYS 113 5.642 18.065 9.038 921 1HZ LYS 113 HZ1 LYS 113 4.905 19.076 6.827 922 2HZ LYS 113 HZ2 LYS 113 6.023 18.030 6.101 923 3HZ LYS 113 HZ3 LYS 113 6.551 19.187 7.224 924 H TYR 114 HN TYR 114 9.597 13.223 5.789 925 HA TYR 114 HA TYR 114 11.276 11.767 5.381 926 1HB TYR 114 HB2 TYR 114 11.829 13.687 3.760 927 2HB TYR 114 HB3 TYR 114 13.085 14.128 4.911 928 HD1 TYR 114 HD1 TYR 114 11.873 11.020 3.204 929 HD2 TYR 114 HD2 TYR 114 15.187 13.378 4.440 930 HE1 TYR 114 HE1 TYR 114 13.408 9.397 2.169 931 HE2 TYR 114 HE2 TYR 114 16.730 11.769 3.409 932 HH TYR 114 HH TYR 114 16.674 9.291 2.819 933 H ALA 115 HN ALA 115 10.843 12.715 8.058 934 HA ALA 115 HA ALA 115 13.556 12.552 9.184 935 1HB ALA 115 HB1 ALA 115 12.931 14.048 10.709 936 2HB ALA 115 HB2 ALA 115 11.440 14.264 9.793 937 3HB ALA 115 HB3 ALA 115 11.501 13.107 11.126 938 H ALA 116 HN ALA 116 13.379 10.253 8.553 939 HA ALA 116 HA ALA 116 11.570 8.439 9.605 940 1HB ALA 116 HB1 ALA 116 14.501 7.950 9.087 941 2HB ALA 116 HB2 ALA 116 13.222 6.737 9.147 942 3HB ALA 116 HB3 ALA 116 13.240 7.935 7.853 943 H GLU 117 HN GLU 117 11.112 7.879 11.612 944 HA GLU 117 HA GLU 117 12.736 8.756 13.805 945 1HB GLU 117 HB3 GLU 117 10.213 8.637 13.794 946 2HB GLU 117 HB2 GLU 117 10.365 6.889 13.904 947 1HG GLU 117 HG2 GLU 117 11.452 7.062 16.034 948 2HG GLU 117 HG3 GLU 117 11.501 8.820 15.909 949 H ARG 118 HN ARG 118 14.620 7.561 12.981 950 HA ARG 118 HA ARG 118 14.645 4.784 13.959 951 1HB ARG 118 HB3 ARG 118 14.987 5.163 11.474 952 2HB ARG 118 HB2 ARG 118 16.482 5.986 11.882 953 1HG ARG 118 HG3 ARG 118 16.086 3.233 12.918 954 2HG ARG 118 HG2 ARG 118 16.428 3.441 11.200 955 1HD ARG 118 HD3 ARG 118 18.109 4.413 13.505 956 2HD ARG 118 HD2 ARG 118 18.492 3.092 12.401 957 HE ARG 118 HE ARG 118 18.076 5.425 10.893 958 1HH1 ARG 118 HH12 ARG 118 20.416 4.838 13.537 959 2HH1 ARG 118 HH11 ARG 118 21.456 4.194 12.302 960 1HH2 ARG 118 HH21 ARG 118 20.346 7.220 11.046 961 2HH2 ARG 118 HH22 ARG 118 20.639 5.982 9.863 962 H ASP 119 HN ASP 119 16.913 7.471 13.313 963 HA ASP 119 HA ASP 119 17.879 7.244 16.069 964 1HB ASP 119 HB3 ASP 119 19.495 6.829 13.623 965 2HB ASP 119 HB2 ASP 119 20.195 7.910 14.823 Start of MODEL 4 1 1H MET 1 HT1 MET 1 5.690 -7.701 13.831 2 2H MET 1 HT2 MET 1 7.020 -8.705 14.298 3 3H MET 1 HT3 MET 1 5.481 -8.886 15.070 4 HA MET 1 HA MET 1 5.134 -10.492 13.641 5 1HB MET 1 HB2 MET 1 3.740 -8.615 12.811 6 2HB MET 1 HB3 MET 1 5.038 -8.162 11.718 7 1HG MET 1 HG2 MET 1 4.788 -10.238 10.506 8 2HG MET 1 HG3 MET 1 3.535 -10.762 11.627 9 1HE MET 1 HE1 MET 1 1.140 -10.729 9.562 10 2HE MET 1 HE2 MET 1 2.090 -10.227 8.172 11 3HE MET 1 HE3 MET 1 2.784 -11.322 9.356 12 H GLY 2 HN GLY 2 6.570 -12.000 12.995 13 1HA GLY 2 HA2 GLY 2 8.214 -12.987 11.708 14 2HA GLY 2 HA1 GLY 2 8.242 -11.534 10.731 15 H ASP 3 HN ASP 3 10.491 -11.665 10.618 16 HA ASP 3 HA ASP 3 11.895 -10.897 13.089 17 1HB ASP 3 HB3 ASP 3 12.513 -13.125 12.021 18 2HB ASP 3 HB2 ASP 3 13.135 -12.192 10.656 19 H THR 4 HN THR 4 12.905 -8.991 13.092 20 HA THR 4 HA THR 4 12.404 -7.096 11.079 21 HB THR 4 HB THR 4 14.328 -5.906 12.519 22 HG1 THR 4 HG1 THR 4 14.773 -7.865 13.671 23 1HG2 THR 4 HG21 THR 4 12.644 -5.132 14.063 24 2HG2 THR 4 HG22 THR 4 11.567 -6.449 13.573 25 3HG2 THR 4 HG23 THR 4 12.001 -5.173 12.427 26 H GLY 5 HN GLY 5 14.720 -9.510 11.078 27 1HA GLY 5 HA2 GLY 5 16.959 -8.175 10.005 28 2HA GLY 5 HA1 GLY 5 16.579 -9.884 9.802 29 H LYS 6 HN LYS 6 14.150 -9.694 8.451 30 HA LYS 6 HA LYS 6 14.987 -8.424 5.926 31 1HB LYS 6 HB2 LYS 6 13.427 -10.997 6.288 32 2HB LYS 6 HB3 LYS 6 13.817 -10.268 4.740 33 1HG LYS 6 HG3 LYS 6 16.244 -10.584 5.285 34 2HG LYS 6 HG2 LYS 6 15.747 -11.444 6.737 35 1HD LYS 6 HD3 LYS 6 14.857 -12.297 3.999 36 2HD LYS 6 HD2 LYS 6 16.376 -12.845 4.709 37 1HE LYS 6 HE3 LYS 6 14.838 -14.553 5.175 38 2HE LYS 6 HE2 LYS 6 15.008 -13.664 6.689 39 1HZ LYS 6 HZ1 LYS 6 12.675 -14.344 5.778 40 2HZ LYS 6 HZ2 LYS 6 12.829 -12.931 4.849 41 3HZ LYS 6 HZ3 LYS 6 12.894 -12.844 6.549 42 H LEU 7 HN LEU 7 12.712 -8.408 8.377 43 HA LEU 7 HA LEU 7 10.748 -7.154 6.591 44 1HB LEU 7 HB3 LEU 7 10.282 -8.563 9.219 45 2HB LEU 7 HB2 LEU 7 9.050 -7.711 8.309 46 HG LEU 7 HG LEU 7 10.536 -10.165 7.371 47 1HD1 LEU 7 HD21 LEU 7 8.039 -10.971 7.508 48 2HD1 LEU 7 HD22 LEU 7 9.108 -11.042 8.903 49 3HD1 LEU 7 HD23 LEU 7 7.953 -9.718 8.749 50 1HD2 LEU 7 HD11 LEU 7 9.965 -8.850 5.468 51 2HD2 LEU 7 HD12 LEU 7 8.776 -10.147 5.588 52 3HD2 LEU 7 HD13 LEU 7 8.352 -8.522 6.111 53 H GLY 8 HN GLY 8 12.420 -5.335 7.012 54 1HA GLY 8 HA1 GLY 8 12.220 -4.040 9.603 55 2HA GLY 8 HA2 GLY 8 13.096 -3.434 8.200 56 H ARG 9 HN ARG 9 11.017 -3.518 6.331 57 HA ARG 9 HA ARG 9 9.319 -2.262 5.493 58 1HB ARG 9 HB3 ARG 9 8.294 -2.126 8.333 59 2HB ARG 9 HB2 ARG 9 7.364 -1.902 6.861 60 1HG ARG 9 HG2 ARG 9 7.493 -4.176 6.302 61 2HG ARG 9 HG3 ARG 9 8.740 -4.484 7.525 62 1HD ARG 9 HD2 ARG 9 5.873 -3.717 7.989 63 2HD ARG 9 HD3 ARG 9 6.630 -5.281 8.351 64 HE ARG 9 HE ARG 9 7.965 -3.175 9.697 65 1HH1 ARG 9 HH11 ARG 9 6.083 -5.917 10.644 66 2HH1 ARG 9 HH12 ARG 9 4.650 -4.917 10.626 67 1HH2 ARG 9 HH21 ARG 9 7.445 -2.567 11.805 68 2HH2 ARG 9 HH22 ARG 9 6.188 -3.411 12.658 69 H ILE 10 HN ILE 10 10.783 -0.598 5.014 70 HA ILE 10 HA ILE 10 11.589 1.442 6.675 71 HB ILE 10 HB ILE 10 12.580 1.163 4.523 72 1HG1 ILE 10 HG13 ILE 10 12.419 3.538 3.647 73 2HG1 ILE 10 HG12 ILE 10 11.171 3.813 4.852 74 1HG2 ILE 10 HG21 ILE 10 11.439 0.793 2.662 75 2HG2 ILE 10 HG22 ILE 10 9.953 0.951 3.567 76 3HG2 ILE 10 HG23 ILE 10 10.647 2.362 2.786 77 1HD1 ILE 10 HD11 ILE 10 12.632 3.860 6.572 78 2HD1 ILE 10 HD12 ILE 10 13.730 2.699 5.821 79 3HD1 ILE 10 HD13 ILE 10 13.717 4.385 5.284 80 H ILE 11 HN ILE 11 8.569 1.290 4.763 81 HA ILE 11 HA ILE 11 7.688 3.670 6.244 82 HB ILE 11 HB ILE 11 6.451 2.551 3.718 83 1HG1 ILE 11 HG13 ILE 11 8.061 5.071 4.157 84 2HG1 ILE 11 HG12 ILE 11 8.655 3.624 3.369 85 1HG2 ILE 11 HG21 ILE 11 5.738 4.869 5.505 86 2HG2 ILE 11 HG22 ILE 11 5.259 4.830 3.804 87 3HG2 ILE 11 HG23 ILE 11 4.696 3.565 4.898 88 1HD1 ILE 11 HD11 ILE 11 8.005 5.389 1.808 89 2HD1 ILE 11 HD12 ILE 11 7.089 3.911 1.577 90 3HD1 ILE 11 HD13 ILE 11 6.359 5.276 2.393 91 H ARG 12 HN ARG 12 5.656 1.223 4.677 92 HA ARG 12 HA ARG 12 4.914 0.180 7.285 93 1HB ARG 12 HB2 ARG 12 3.265 2.011 5.674 94 2HB ARG 12 HB3 ARG 12 2.427 0.582 6.283 95 1HG ARG 12 HG2 ARG 12 4.072 2.363 8.031 96 2HG ARG 12 HG3 ARG 12 2.359 2.639 7.731 97 1HD ARG 12 HD3 ARG 12 1.785 0.529 8.690 98 2HD ARG 12 HD2 ARG 12 3.473 0.040 8.756 99 HE ARG 12 HE ARG 12 3.624 1.058 10.774 100 1HH1 ARG 12 HH12 ARG 12 0.305 2.138 9.846 101 2HH1 ARG 12 HH11 ARG 12 0.953 3.736 9.752 102 1HH2 ARG 12 HH21 ARG 12 2.471 2.242 12.672 103 2HH2 ARG 12 HH22 ARG 12 2.376 3.857 12.036 104 H HIS 13 HN HIS 13 3.104 -1.419 7.019 105 HA HIS 13 HA HIS 13 2.797 -2.784 4.534 106 1HB HIS 13 HB2 HIS 13 4.756 -3.944 4.618 107 2HB HIS 13 HB3 HIS 13 5.017 -3.556 6.306 108 HD1 HIS 13 HD1 HIS 13 3.468 -5.126 8.011 109 HD2 HIS 13 HD2 HIS 13 4.271 -6.572 4.200 110 HE1 HIS 13 HE1 HIS 13 3.106 -7.607 8.151 111 HE2 HIS 13 HE2 HIS 13 3.413 -8.440 5.786 112 H ASP 14 HN ASP 14 0.892 -3.848 4.605 113 HA ASP 14 HA ASP 14 -0.055 -5.141 6.994 114 1HB ASP 14 HB3 ASP 14 -0.600 -2.628 7.284 115 2HB ASP 14 HB2 ASP 14 -1.802 -2.875 6.016 116 H ALA 15 HN ALA 15 -2.541 -5.763 6.545 117 HA ALA 15 HA ALA 15 -2.713 -6.601 3.720 118 1HB ALA 15 HB1 ALA 15 -3.291 -8.175 6.212 119 2HB ALA 15 HB2 ALA 15 -3.895 -8.650 4.623 120 3HB ALA 15 HB3 ALA 15 -2.156 -8.559 4.902 121 H PHE 16 HN PHE 16 -4.339 -5.568 2.792 122 HA PHE 16 HA PHE 16 -6.789 -5.129 4.379 123 1HB PHE 16 HB2 PHE 16 -5.796 -3.518 2.016 124 2HB PHE 16 HB3 PHE 16 -7.269 -3.228 2.917 125 HD1 PHE 16 HD1 PHE 16 -6.869 -2.983 5.547 126 HD2 PHE 16 HD2 PHE 16 -4.003 -2.195 2.499 127 HE1 PHE 16 HE1 PHE 16 -5.657 -1.491 7.078 128 HE2 PHE 16 HE2 PHE 16 -2.783 -0.703 4.028 129 HZ PHE 16 HZ PHE 16 -3.611 -0.346 6.322 130 H GLN 17 HN GLN 17 -8.650 -5.936 3.635 131 HA GLN 17 HA GLN 17 -8.624 -7.290 1.025 132 1HB GLN 17 HB3 GLN 17 -9.183 -8.680 3.032 133 2HB GLN 17 HB2 GLN 17 -10.581 -7.665 3.312 134 1HG GLN 17 HG3 GLN 17 -11.470 -8.317 1.123 135 2HG GLN 17 HG2 GLN 17 -10.080 -9.358 0.878 136 1HE2 GLN 17 HE21 GLN 17 -10.345 -11.403 1.426 137 2HE2 GLN 17 HE22 GLN 17 -11.370 -11.995 2.673 138 H VAL 18 HN VAL 18 -9.313 -5.940 -0.473 139 HA VAL 18 HA VAL 18 -11.789 -4.438 0.032 140 HB VAL 18 HB VAL 18 -9.866 -2.964 -1.578 141 1HG1 VAL 18 HG21 VAL 18 -10.905 -1.161 -0.630 142 2HG1 VAL 18 HG22 VAL 18 -12.167 -2.379 -0.440 143 3HG1 VAL 18 HG23 VAL 18 -11.119 -1.966 0.927 144 1HG2 VAL 18 HG11 VAL 18 -8.989 -4.023 0.990 145 2HG2 VAL 18 HG12 VAL 18 -8.067 -3.215 -0.276 146 3HG2 VAL 18 HG13 VAL 18 -8.946 -2.260 0.916 147 H TRP 19 HN TRP 19 -12.539 -3.356 -1.982 148 HA TRP 19 HA TRP 19 -12.770 -5.325 -4.059 149 1HB TRP 19 HB2 TRP 19 -13.894 -2.527 -3.935 150 2HB TRP 19 HB3 TRP 19 -14.496 -3.877 -4.893 151 HD1 TRP 19 HD1 TRP 19 -15.858 -5.788 -3.605 152 HE1 TRP 19 HE1 TRP 19 -17.104 -5.781 -1.362 153 HE3 TRP 19 HE3 TRP 19 -13.813 -1.563 -1.536 154 HZ2 TRP 19 HZ2 TRP 19 -17.221 -4.214 0.948 155 HZ3 TRP 19 HZ3 TRP 19 -14.565 -0.893 0.706 156 HH2 TRP 19 HH2 TRP 19 -16.231 -2.195 1.917 157 H GLU 20 HN GLU 20 -11.070 -5.430 -5.544 158 HA GLU 20 HA GLU 20 -9.506 -3.136 -6.235 159 1HB GLU 20 HB3 GLU 20 -9.395 -5.974 -6.600 160 2HB GLU 20 HB2 GLU 20 -9.244 -5.217 -8.175 161 1HG GLU 20 HG3 GLU 20 -7.500 -4.860 -5.772 162 2HG GLU 20 HG2 GLU 20 -7.064 -5.497 -7.363 163 H GLY 21 HN GLY 21 -9.073 -3.160 -8.826 164 1HA GLY 21 HA2 GLY 21 -10.938 -1.564 -10.014 165 2HA GLY 21 HA1 GLY 21 -9.850 -2.601 -10.918 166 H ASP 22 HN ASP 22 -13.028 -2.097 -9.802 167 HA ASP 22 HA ASP 22 -15.046 -2.824 -10.492 168 1HB ASP 22 HB2 ASP 22 -14.085 -2.770 -12.768 169 2HB ASP 22 HB3 ASP 22 -13.560 -4.436 -12.565 170 H GLU 23 HN GLU 23 -12.613 -5.404 -10.310 171 HA GLU 23 HA GLU 23 -14.322 -7.560 -9.866 172 1HB GLU 23 HB3 GLU 23 -11.455 -7.127 -8.998 173 2HB GLU 23 HB2 GLU 23 -12.280 -8.671 -8.927 174 1HG GLU 23 HG2 GLU 23 -12.654 -8.481 -11.394 175 2HG GLU 23 HG3 GLU 23 -11.569 -7.090 -11.367 176 HA PRO 24 HA PRO 24 -15.742 -7.700 -5.725 177 1HB PRO 24 HB3 PRO 24 -15.043 -10.231 -4.959 178 2HB PRO 24 HB2 PRO 24 -16.378 -9.867 -6.049 179 1HG PRO 24 HG2 PRO 24 -13.595 -10.725 -6.716 180 2HG PRO 24 HG3 PRO 24 -15.119 -11.305 -7.383 181 1HD PRO 24 HD3 PRO 24 -13.627 -9.545 -8.702 182 2HD PRO 24 HD2 PRO 24 -15.393 -9.436 -8.707 183 HA PRO 25 HA PRO 25 -12.807 -6.913 -2.549 184 1HB PRO 25 HB2 PRO 25 -13.543 -8.473 -0.446 185 2HB PRO 25 HB3 PRO 25 -14.404 -7.010 -0.929 186 1HG PRO 25 HG3 PRO 25 -15.007 -9.875 -1.617 187 2HG PRO 25 HG2 PRO 25 -16.120 -8.607 -1.028 188 1HD PRO 25 HD2 PRO 25 -16.008 -9.212 -3.618 189 2HD PRO 25 HD3 PRO 25 -16.133 -7.512 -3.087 190 H LYS 26 HN LYS 26 -10.861 -7.511 -3.095 191 HA LYS 26 HA LYS 26 -9.949 -10.274 -2.639 192 1HB LYS 26 HB3 LYS 26 -8.758 -8.016 -4.267 193 2HB LYS 26 HB2 LYS 26 -7.930 -9.531 -3.947 194 1HG LYS 26 HG2 LYS 26 -9.655 -10.750 -5.143 195 2HG LYS 26 HG3 LYS 26 -10.525 -9.224 -5.429 196 1HD LYS 26 HD2 LYS 26 -8.729 -8.352 -6.728 197 2HD LYS 26 HD3 LYS 26 -7.675 -9.701 -6.312 198 1HE LYS 26 HE2 LYS 26 -9.189 -11.201 -7.561 199 2HE LYS 26 HE3 LYS 26 -10.166 -9.801 -8.003 200 1HZ LYS 26 HZ1 LYS 26 -7.633 -9.066 -8.703 201 2HZ LYS 26 HZ2 LYS 26 -8.831 -9.645 -9.766 202 3HZ LYS 26 HZ3 LYS 26 -7.683 -10.719 -9.126 203 H LEU 27 HN LEU 27 -7.902 -10.566 -1.487 204 HA LEU 27 HA LEU 27 -7.485 -8.507 0.524 205 1HB LEU 27 HB3 LEU 27 -7.827 -10.896 1.176 206 2HB LEU 27 HB2 LEU 27 -6.397 -11.330 0.266 207 HG LEU 27 HG LEU 27 -4.982 -10.149 1.810 208 1HD1 LEU 27 HD21 LEU 27 -6.619 -8.288 2.236 209 2HD1 LEU 27 HD22 LEU 27 -7.432 -9.368 3.370 210 3HD1 LEU 27 HD23 LEU 27 -5.752 -8.887 3.650 211 1HD2 LEU 27 HD11 LEU 27 -5.174 -11.614 3.604 212 2HD2 LEU 27 HD12 LEU 27 -6.941 -11.556 3.583 213 3HD2 LEU 27 HD13 LEU 27 -6.066 -12.453 2.342 214 H ARG 28 HN ARG 28 -5.568 -7.328 0.606 215 HA ARG 28 HA ARG 28 -3.472 -8.115 -1.286 216 1HB ARG 28 HB3 ARG 28 -4.139 -5.213 -0.963 217 2HB ARG 28 HB2 ARG 28 -3.263 -6.016 -2.261 218 1HG ARG 28 HG3 ARG 28 -5.191 -5.650 -3.362 219 2HG ARG 28 HG2 ARG 28 -5.649 -7.168 -2.572 220 1HD ARG 28 HD2 ARG 28 -7.350 -6.078 -1.634 221 2HD ARG 28 HD3 ARG 28 -6.174 -5.178 -0.693 222 HE ARG 28 HE ARG 28 -6.604 -3.344 -1.968 223 1HH1 ARG 28 HH11 ARG 28 -9.152 -5.512 -3.357 224 2HH1 ARG 28 HH12 ARG 28 -7.951 -5.830 -4.579 225 1HH2 ARG 28 HH22 ARG 28 -8.537 -2.367 -3.492 226 2HH2 ARG 28 HH21 ARG 28 -7.570 -2.753 -4.904 227 H TYR 29 HN TYR 29 -1.491 -7.949 -0.561 228 HA TYR 29 HA TYR 29 -1.062 -6.896 2.145 229 1HB TYR 29 HB2 TYR 29 0.755 -8.541 0.364 230 2HB TYR 29 HB3 TYR 29 1.106 -8.069 2.013 231 HD1 TYR 29 HD1 TYR 29 1.337 -10.808 1.336 232 HD2 TYR 29 HD2 TYR 29 -2.167 -8.666 2.434 233 HE1 TYR 29 HE1 TYR 29 0.322 -12.893 2.145 234 HE2 TYR 29 HE2 TYR 29 -3.185 -10.746 3.260 235 HH TYR 29 HH TYR 29 -1.481 -13.852 2.989 236 H VAL 30 HN VAL 30 -1.140 -4.708 1.618 237 HA VAL 30 HA VAL 30 0.406 -3.517 -0.425 238 HB VAL 30 HB VAL 30 -0.726 -2.138 2.026 239 1HG1 VAL 30 HG21 VAL 30 -0.797 -0.794 -0.572 240 2HG1 VAL 30 HG22 VAL 30 -0.295 -0.185 0.998 241 3HG1 VAL 30 HG23 VAL 30 0.834 -1.127 0.015 242 1HG2 VAL 30 HG11 VAL 30 -2.354 -1.967 -0.375 243 2HG2 VAL 30 HG12 VAL 30 -2.191 -3.630 0.184 244 3HG2 VAL 30 HG13 VAL 30 -2.823 -2.400 1.273 245 H PHE 31 HN PHE 31 2.522 -3.089 -0.458 246 HA PHE 31 HA PHE 31 3.965 -2.863 2.119 247 1HB PHE 31 HB2 PHE 31 5.148 -3.760 -0.512 248 2HB PHE 31 HB3 PHE 31 5.900 -3.838 1.073 249 HD1 PHE 31 HD1 PHE 31 4.438 -5.278 2.821 250 HD2 PHE 31 HD2 PHE 31 4.417 -5.679 -1.412 251 HE1 PHE 31 HE1 PHE 31 3.671 -7.604 3.048 252 HE2 PHE 31 HE2 PHE 31 3.673 -8.009 -1.189 253 HZ PHE 31 HZ PHE 31 3.297 -8.972 1.040 254 H LEU 32 HN LEU 32 4.323 -0.619 2.356 255 HA LEU 32 HA LEU 32 5.105 0.814 -0.070 256 1HB LEU 32 HB2 LEU 32 5.156 2.400 2.347 257 2HB LEU 32 HB3 LEU 32 4.348 2.678 0.820 258 HG LEU 32 HG LEU 32 3.223 0.849 2.938 259 1HD1 LEU 32 HD11 LEU 32 2.923 2.698 4.146 260 2HD1 LEU 32 HD12 LEU 32 3.363 3.752 2.820 261 3HD1 LEU 32 HD13 LEU 32 1.720 3.146 2.951 262 1HD2 LEU 32 HD21 LEU 32 1.176 1.942 1.459 263 2HD2 LEU 32 HD22 LEU 32 2.431 1.676 0.257 264 3HD2 LEU 32 HD23 LEU 32 1.868 0.334 1.239 265 H PHE 33 HN PHE 33 7.139 1.082 -0.567 266 HA PHE 33 HA PHE 33 9.123 1.198 1.588 267 1HB PHE 33 HB3 PHE 33 9.131 -0.620 -0.803 268 2HB PHE 33 HB2 PHE 33 10.650 -0.090 -0.101 269 HD1 PHE 33 HD1 PHE 33 7.381 -1.531 1.073 270 HD2 PHE 33 HD2 PHE 33 11.617 -1.486 1.442 271 HE1 PHE 33 HE1 PHE 33 7.246 -3.296 2.779 272 HE2 PHE 33 HE2 PHE 33 11.482 -3.270 3.131 273 HZ PHE 33 HZ PHE 33 9.297 -4.173 3.805 274 H ARG 34 HN ARG 34 9.756 3.187 1.498 275 HA ARG 34 HA ARG 34 10.693 5.110 0.889 276 1HB ARG 34 HB2 ARG 34 11.703 3.458 -1.419 277 2HB ARG 34 HB3 ARG 34 12.201 5.114 -1.119 278 1HG ARG 34 HG3 ARG 34 12.886 4.320 1.206 279 2HG ARG 34 HG2 ARG 34 12.689 2.684 0.569 280 1HD ARG 34 HD3 ARG 34 14.486 4.769 -0.640 281 2HD ARG 34 HD2 ARG 34 15.020 3.552 0.498 282 HE ARG 34 HE ARG 34 14.913 1.954 -1.155 283 1HH1 ARG 34 HH11 ARG 34 14.340 5.107 -2.566 284 2HH1 ARG 34 HH12 ARG 34 13.340 4.488 -3.845 285 1HH2 ARG 34 HH21 ARG 34 15.319 2.073 -3.984 286 2HH2 ARG 34 HH22 ARG 34 13.638 1.649 -3.980 287 H ASN 35 HN ASN 35 10.584 4.680 -2.515 288 HA ASN 35 HA ASN 35 8.486 6.725 -2.621 289 1HB ASN 35 HB3 ASN 35 10.650 5.994 -4.590 290 2HB ASN 35 HB2 ASN 35 9.427 7.214 -4.887 291 1HD2 ASN 35 HD21 ASN 35 10.053 9.175 -4.544 292 2HD2 ASN 35 HD22 ASN 35 11.434 9.640 -3.591 293 H LYS 36 HN LYS 36 8.278 3.589 -2.688 294 HA LYS 36 HA LYS 36 6.205 3.633 -4.715 295 1HB LYS 36 HB3 LYS 36 7.010 1.593 -5.850 296 2HB LYS 36 HB2 LYS 36 8.111 2.949 -6.031 297 1HG LYS 36 HG2 LYS 36 9.658 1.425 -5.532 298 2HG LYS 36 HG3 LYS 36 9.182 1.800 -3.869 299 1HD LYS 36 HD2 LYS 36 7.537 -0.094 -4.015 300 2HD LYS 36 HD3 LYS 36 8.287 -0.524 -5.549 301 1HE LYS 36 HE2 LYS 36 10.481 -0.669 -4.404 302 2HE LYS 36 HE3 LYS 36 9.658 -0.356 -2.873 303 1HZ LYS 36 HZ1 LYS 36 8.609 -2.410 -2.935 304 2HZ LYS 36 HZ2 LYS 36 10.174 -2.751 -3.486 305 3HZ LYS 36 HZ3 LYS 36 8.895 -2.637 -4.580 306 H ILE 37 HN ILE 37 4.805 1.763 -4.642 307 HA ILE 37 HA ILE 37 4.750 0.491 -1.969 308 HB ILE 37 HB ILE 37 2.455 1.435 -3.703 309 1HG1 ILE 37 HG12 ILE 37 3.357 2.343 -0.961 310 2HG1 ILE 37 HG13 ILE 37 3.647 3.223 -2.462 311 1HG2 ILE 37 HG21 ILE 37 2.193 0.275 -0.946 312 2HG2 ILE 37 HG22 ILE 37 0.937 0.531 -2.169 313 3HG2 ILE 37 HG23 ILE 37 2.146 -0.751 -2.382 314 1HD1 ILE 37 HD11 ILE 37 1.294 3.144 -0.771 315 2HD1 ILE 37 HD12 ILE 37 1.754 4.304 -2.022 316 3HD1 ILE 37 HD13 ILE 37 0.919 2.810 -2.468 317 H MET 38 HN MET 38 5.394 -1.618 -2.393 318 HA MET 38 HA MET 38 4.777 -2.935 -4.855 319 1HB MET 38 HB2 MET 38 6.228 -3.639 -2.424 320 2HB MET 38 HB3 MET 38 5.275 -4.977 -3.050 321 1HG MET 38 HG2 MET 38 6.371 -4.730 -5.236 322 2HG MET 38 HG3 MET 38 7.331 -3.398 -4.594 323 1HE MET 38 HE1 MET 38 9.644 -4.655 -5.376 324 2HE MET 38 HE2 MET 38 9.883 -6.375 -5.081 325 3HE MET 38 HE3 MET 38 8.545 -5.844 -6.093 326 H PHE 39 HN PHE 39 3.386 -4.684 -5.199 327 HA PHE 39 HA PHE 39 1.197 -4.822 -3.267 328 1HB PHE 39 HB3 PHE 39 1.082 -3.131 -5.291 329 2HB PHE 39 HB2 PHE 39 0.536 -4.566 -6.145 330 HD1 PHE 39 HD1 PHE 39 -1.741 -4.690 -6.333 331 HD2 PHE 39 HD2 PHE 39 -0.003 -3.075 -2.817 332 HE1 PHE 39 HE1 PHE 39 -3.999 -4.337 -5.407 333 HE2 PHE 39 HE2 PHE 39 -2.255 -2.750 -1.849 334 HZ PHE 39 HZ PHE 39 -4.254 -3.371 -3.153 335 H THR 40 HN THR 40 0.481 -6.759 -2.935 336 HA THR 40 HA THR 40 0.748 -8.793 -5.023 337 HB THR 40 HB THR 40 0.909 -10.434 -3.050 338 HG1 THR 40 HG1 THR 40 2.025 -8.377 -1.555 339 1HG2 THR 40 HG21 THR 40 3.377 -9.048 -2.695 340 2HG2 THR 40 HG22 THR 40 2.905 -8.981 -4.390 341 3HG2 THR 40 HG23 THR 40 3.053 -10.545 -3.568 342 H GLU 41 HN GLU 41 -1.176 -9.568 -5.637 343 HA GLU 41 HA GLU 41 -3.524 -8.831 -4.041 344 1HB GLU 41 HB2 GLU 41 -3.301 -7.870 -6.292 345 2HB GLU 41 HB3 GLU 41 -3.290 -9.497 -6.976 346 1HG GLU 41 HG3 GLU 41 -5.569 -9.757 -5.809 347 2HG GLU 41 HG2 GLU 41 -5.544 -7.995 -5.720 348 H GLN 42 HN GLN 42 -4.536 -10.349 -2.968 349 HA GLN 42 HA GLN 42 -4.391 -13.144 -3.840 350 1HB GLN 42 HB2 GLN 42 -3.919 -12.596 -1.445 351 2HB GLN 42 HB3 GLN 42 -5.539 -11.939 -1.303 352 1HG GLN 42 HG2 GLN 42 -6.522 -14.081 -1.645 353 2HG GLN 42 HG3 GLN 42 -4.967 -14.791 -2.044 354 1HE2 GLN 42 HE21 GLN 42 -3.734 -15.611 -0.449 355 2HE2 GLN 42 HE22 GLN 42 -4.189 -15.596 1.227 356 H ASP 43 HN ASP 43 -6.244 -14.131 -4.665 357 HA ASP 43 HA ASP 43 -8.455 -12.331 -5.257 358 1HB ASP 43 HB2 ASP 43 -7.281 -13.800 -6.991 359 2HB ASP 43 HB3 ASP 43 -8.132 -15.153 -6.261 360 H ALA 44 HN ALA 44 -8.649 -12.639 -2.770 361 HA ALA 44 HA ALA 44 -9.972 -13.205 -1.034 362 1HB ALA 44 HB1 ALA 44 -12.180 -14.412 -1.667 363 2HB ALA 44 HB2 ALA 44 -11.925 -12.752 -2.180 364 3HB ALA 44 HB3 ALA 44 -11.679 -14.068 -3.334 365 H SER 45 HN SER 45 -11.378 -16.031 -2.306 366 HA SER 45 HA SER 45 -9.236 -17.712 -1.304 367 1HB SER 45 HB2 SER 45 -11.117 -19.021 -0.044 368 2HB SER 45 HB3 SER 45 -10.449 -17.563 0.684 369 HG SER 45 HG SER 45 -12.290 -16.556 0.420 370 H THR 46 HN THR 46 -10.715 -17.105 -3.953 371 HA THR 46 HA THR 46 -11.609 -19.846 -4.524 372 HB THR 46 HB THR 46 -12.410 -18.567 -6.703 373 HG1 THR 46 HG1 THR 46 -11.973 -16.520 -6.491 374 1HG2 THR 46 HG21 THR 46 -13.945 -19.680 -5.190 375 2HG2 THR 46 HG22 THR 46 -14.567 -18.110 -5.683 376 3HG2 THR 46 HG23 THR 46 -13.855 -18.314 -4.080 377 H SER 47 HN SER 47 -10.283 -21.113 -5.562 378 HA SER 47 HA SER 47 -8.656 -21.894 -6.933 379 1HB SER 47 HB3 SER 47 -8.834 -19.161 -8.244 380 2HB SER 47 HB2 SER 47 -8.035 -20.580 -8.926 381 HG SER 47 HG SER 47 -10.144 -21.621 -8.825 382 HA PRO 48 HA PRO 48 -4.726 -20.635 -5.280 383 1HB PRO 48 HB2 PRO 48 -3.480 -20.176 -7.918 384 2HB PRO 48 HB3 PRO 48 -3.046 -21.346 -6.671 385 1HG PRO 48 HG2 PRO 48 -4.223 -22.091 -8.975 386 2HG PRO 48 HG3 PRO 48 -4.517 -22.943 -7.465 387 1HD PRO 48 HD3 PRO 48 -6.230 -21.001 -8.927 388 2HD PRO 48 HD2 PRO 48 -6.681 -22.431 -7.959 389 HA PRO 49 HA PRO 49 -5.348 -16.185 -5.737 390 1HB PRO 49 HB2 PRO 49 -4.108 -15.890 -3.141 391 2HB PRO 49 HB3 PRO 49 -5.807 -15.667 -3.593 392 1HG PRO 49 HG2 PRO 49 -4.904 -17.685 -1.993 393 2HG PRO 49 HG3 PRO 49 -6.368 -17.773 -2.961 394 1HD PRO 49 HD2 PRO 49 -3.663 -18.905 -3.519 395 2HD PRO 49 HD3 PRO 49 -5.271 -19.619 -3.830 396 H SER 50 HN SER 50 -3.542 -14.630 -4.111 397 HA SER 50 HA SER 50 -1.692 -13.371 -4.296 398 1HB SER 50 HB2 SER 50 0.497 -14.524 -4.609 399 2HB SER 50 HB3 SER 50 -0.510 -15.216 -3.334 400 HG SER 50 HG SER 50 -1.079 -16.459 -5.617 401 H TYR 51 HN TYR 51 -3.236 -14.313 -6.829 402 HA TYR 51 HA TYR 51 -3.381 -13.722 -8.993 403 1HB TYR 51 HB2 TYR 51 -2.703 -11.499 -7.982 404 2HB TYR 51 HB3 TYR 51 -1.071 -11.846 -8.507 405 HD1 TYR 51 HD1 TYR 51 -4.465 -12.051 -10.076 406 HD2 TYR 51 HD2 TYR 51 -0.465 -10.645 -10.362 407 HE1 TYR 51 HE1 TYR 51 -4.983 -11.038 -12.258 408 HE2 TYR 51 HE2 TYR 51 -0.967 -9.641 -12.546 409 HH TYR 51 HH TYR 51 -4.054 -10.146 -14.144 410 H THR 52 HN THR 52 0.100 -13.383 -8.529 411 HA THR 52 HA THR 52 0.885 -15.838 -9.591 412 HB THR 52 HB THR 52 0.041 -15.162 -11.721 413 HG1 THR 52 HG1 THR 52 2.162 -16.069 -11.737 414 1HG2 THR 52 HG21 THR 52 1.217 -12.538 -11.070 415 2HG2 THR 52 HG22 THR 52 -0.309 -12.945 -11.868 416 3HG2 THR 52 HG23 THR 52 1.225 -13.056 -12.756 417 H HIS 53 HN HIS 53 1.442 -12.474 -9.070 418 HA HIS 53 HA HIS 53 3.551 -12.681 -7.351 419 1HB HIS 53 HB2 HIS 53 4.884 -13.523 -9.290 420 2HB HIS 53 HB3 HIS 53 4.579 -12.003 -10.127 421 HD1 HIS 53 HD1 HIS 53 5.447 -9.810 -8.637 422 HD2 HIS 53 HD2 HIS 53 7.212 -13.504 -7.873 423 HE1 HIS 53 HE1 HIS 53 7.563 -9.300 -7.382 424 HE2 HIS 53 HE2 HIS 53 8.506 -11.556 -6.753 425 H TYR 54 HN TYR 54 2.423 -10.804 -10.132 426 HA TYR 54 HA TYR 54 1.637 -8.693 -10.347 427 1HB TYR 54 HB2 TYR 54 0.594 -9.398 -8.002 428 2HB TYR 54 HB3 TYR 54 1.687 -8.164 -7.401 429 HD1 TYR 54 HD1 TYR 54 1.440 -5.786 -8.293 430 HD2 TYR 54 HD2 TYR 54 -1.467 -8.810 -9.012 431 HE1 TYR 54 HE1 TYR 54 -0.198 -4.061 -8.904 432 HE2 TYR 54 HE2 TYR 54 -3.114 -7.087 -9.627 433 HH TYR 54 HH TYR 54 -3.089 -4.134 -8.883 434 H SER 55 HN SER 55 2.232 -6.320 -9.695 435 HA SER 55 HA SER 55 5.160 -6.183 -9.516 436 1HB SER 55 HB3 SER 55 4.721 -3.952 -10.794 437 2HB SER 55 HB2 SER 55 4.606 -5.480 -11.676 438 HG SER 55 HG SER 55 2.808 -3.843 -11.881 439 H SER 56 HN SER 56 4.357 -3.100 -9.571 440 HA SER 56 HA SER 56 3.770 -2.837 -6.703 441 1HB SER 56 HB2 SER 56 5.900 -1.241 -8.146 442 2HB SER 56 HB3 SER 56 5.511 -1.186 -6.416 443 HG SER 56 HG SER 56 7.258 -2.731 -7.654 444 H ILE 57 HN ILE 57 3.254 -0.549 -6.135 445 HA ILE 57 HA ILE 57 1.709 0.720 -8.295 446 HB ILE 57 HB ILE 57 1.010 -0.018 -5.605 447 1HG1 ILE 57 HG13 ILE 57 -0.331 -0.277 -7.705 448 2HG1 ILE 57 HG12 ILE 57 -1.218 0.372 -6.324 449 1HG2 ILE 57 HG21 ILE 57 1.672 2.157 -4.849 450 2HG2 ILE 57 HG22 ILE 57 0.763 2.932 -6.147 451 3HG2 ILE 57 HG23 ILE 57 -0.096 2.065 -4.874 452 1HD1 ILE 57 HD11 ILE 57 -1.520 2.395 -7.273 453 2HD1 ILE 57 HD12 ILE 57 -0.019 2.313 -8.205 454 3HD1 ILE 57 HD13 ILE 57 -1.438 1.396 -8.734 455 H ARG 58 HN ARG 58 1.808 3.028 -8.444 456 HA ARG 58 HA ARG 58 4.405 4.040 -7.818 457 1HB ARG 58 HB2 ARG 58 3.866 5.854 -9.218 458 2HB ARG 58 HB3 ARG 58 3.107 4.453 -9.934 459 1HG ARG 58 HG3 ARG 58 0.967 5.131 -8.881 460 2HG ARG 58 HG2 ARG 58 1.744 6.625 -8.376 461 1HD ARG 58 HD2 ARG 58 1.136 5.656 -11.144 462 2HD ARG 58 HD3 ARG 58 0.676 7.183 -10.394 463 HE ARG 58 HE ARG 58 3.492 7.041 -10.565 464 1HH1 ARG 58 HH11 ARG 58 0.648 7.935 -12.372 465 2HH1 ARG 58 HH12 ARG 58 1.517 8.289 -13.832 466 1HH2 ARG 58 HH22 ARG 58 4.113 9.050 -12.537 467 2HH2 ARG 58 HH21 ARG 58 4.272 7.599 -13.492 468 H LEU 59 HN LEU 59 4.464 6.454 -7.060 469 HA LEU 59 HA LEU 59 2.597 6.911 -4.864 470 1HB LEU 59 HB2 LEU 59 4.654 5.568 -4.114 471 2HB LEU 59 HB3 LEU 59 5.571 7.025 -4.399 472 HG LEU 59 HG LEU 59 4.071 8.181 -2.733 473 1HD1 LEU 59 HD11 LEU 59 3.048 5.397 -2.498 474 2HD1 LEU 59 HD12 LEU 59 3.132 6.411 -1.069 475 3HD1 LEU 59 HD13 LEU 59 2.177 6.927 -2.455 476 1HD2 LEU 59 HD21 LEU 59 5.552 7.720 -1.096 477 2HD2 LEU 59 HD22 LEU 59 5.371 5.968 -1.278 478 3HD2 LEU 59 HD23 LEU 59 6.386 6.873 -2.399 479 H ASP 60 HN ASP 60 3.510 8.030 -7.533 480 HA ASP 60 HA ASP 60 4.267 10.726 -6.656 481 1HB ASP 60 HB2 ASP 60 4.588 9.367 -9.329 482 2HB ASP 60 HB3 ASP 60 4.924 11.071 -9.057 483 H LYS 61 HN LYS 61 2.555 9.603 -9.603 484 HA LYS 61 HA LYS 61 0.874 11.937 -9.363 485 1HB LYS 61 HB3 LYS 61 2.119 11.206 -11.452 486 2HB LYS 61 HB2 LYS 61 0.928 9.924 -11.599 487 1HG LYS 61 HG2 LYS 61 -0.845 11.559 -11.814 488 2HG LYS 61 HG3 LYS 61 0.303 12.867 -11.594 489 1HD LYS 61 HD2 LYS 61 1.430 12.316 -13.641 490 2HD LYS 61 HD3 LYS 61 0.439 10.865 -13.835 491 1HE LYS 61 HE2 LYS 61 -0.452 12.546 -15.270 492 2HE LYS 61 HE3 LYS 61 -1.569 12.331 -13.929 493 1HZ LYS 61 HZ1 LYS 61 -0.177 14.314 -12.948 494 2HZ LYS 61 HZ2 LYS 61 -1.459 14.578 -14.012 495 3HZ LYS 61 HZ3 LYS 61 0.125 14.619 -14.589 496 H TYR 62 HN TYR 62 0.418 9.414 -7.712 497 HA TYR 62 HA TYR 62 -2.268 8.685 -8.651 498 1HB TYR 62 HB3 TYR 62 -2.055 6.796 -7.377 499 2HB TYR 62 HB2 TYR 62 -0.357 7.116 -7.663 500 HD1 TYR 62 HD1 TYR 62 -3.033 7.080 -5.212 501 HD2 TYR 62 HD2 TYR 62 1.104 7.805 -5.841 502 HE1 TYR 62 HE1 TYR 62 -2.666 7.018 -2.789 503 HE2 TYR 62 HE2 TYR 62 1.485 7.767 -3.412 504 HH TYR 62 HH TYR 62 -0.311 8.289 -1.260 505 H ASN 63 HN ASN 63 -4.079 9.545 -7.679 506 HA ASN 63 HA ASN 63 -3.655 11.587 -5.640 507 1HB ASN 63 HB3 ASN 63 -6.083 10.858 -7.288 508 2HB ASN 63 HB2 ASN 63 -6.075 12.124 -6.077 509 1HD2 ASN 63 HD21 ASN 63 -6.014 11.690 -9.230 510 2HD2 ASN 63 HD22 ASN 63 -5.289 13.200 -9.663 511 H ILE 64 HN ILE 64 -3.650 10.915 -3.582 512 HA ILE 64 HA ILE 64 -5.365 8.670 -2.837 513 HB ILE 64 HB ILE 64 -2.964 8.654 -2.190 514 1HG1 ILE 64 HG12 ILE 64 -3.360 7.927 0.153 515 2HG1 ILE 64 HG13 ILE 64 -4.978 8.606 0.063 516 1HG2 ILE 64 HG21 ILE 64 -3.407 11.251 -1.425 517 2HG2 ILE 64 HG22 ILE 64 -3.306 10.394 0.114 518 3HG2 ILE 64 HG23 ILE 64 -1.985 10.300 -1.050 519 1HD1 ILE 64 HD11 ILE 64 -5.640 6.602 -0.616 520 2HD1 ILE 64 HD12 ILE 64 -4.839 6.969 -2.151 521 3HD1 ILE 64 HD13 ILE 64 -3.968 6.071 -0.893 522 H ARG 65 HN ARG 65 -7.019 8.746 -1.473 523 HA ARG 65 HA ARG 65 -7.569 11.184 0.056 524 1HB ARG 65 HB3 ARG 65 -9.660 9.777 -1.614 525 2HB ARG 65 HB2 ARG 65 -9.917 11.179 -0.592 526 1HG ARG 65 HG2 ARG 65 -8.172 11.172 -3.053 527 2HG ARG 65 HG3 ARG 65 -9.863 11.694 -3.014 528 1HD ARG 65 HD3 ARG 65 -7.672 12.887 -1.326 529 2HD ARG 65 HD2 ARG 65 -8.237 13.558 -2.861 530 HE ARG 65 HE ARG 65 -9.532 13.738 -0.303 531 1HH1 ARG 65 HH11 ARG 65 -9.959 15.063 -3.587 532 2HH1 ARG 65 HH12 ARG 65 -11.071 13.729 -3.810 533 1HH2 ARG 65 HH22 ARG 65 -11.397 15.617 -0.626 534 2HH2 ARG 65 HH21 ARG 65 -12.451 14.277 -0.949 535 H GLN 66 HN GLN 66 -8.418 10.733 2.013 536 HA GLN 66 HA GLN 66 -9.116 7.924 2.573 537 1HB GLN 66 HB2 GLN 66 -7.982 8.045 4.696 538 2HB GLN 66 HB3 GLN 66 -6.855 8.468 3.414 539 1HG GLN 66 HG3 GLN 66 -8.249 10.475 5.172 540 2HG GLN 66 HG2 GLN 66 -6.642 9.823 5.482 541 1HE2 GLN 66 HE21 GLN 66 -4.930 10.532 4.274 542 2HE2 GLN 66 HE22 GLN 66 -5.022 11.720 3.037 543 H HIS 67 HN HIS 67 -10.953 7.592 3.521 544 HA HIS 67 HA HIS 67 -12.516 9.887 4.499 545 1HB HIS 67 HB3 HIS 67 -13.322 7.061 3.756 546 2HB HIS 67 HB2 HIS 67 -14.439 8.308 4.321 547 HD1 HIS 67 HD1 HIS 67 -14.643 10.464 2.644 548 HD2 HIS 67 HD2 HIS 67 -12.901 7.013 1.102 549 HE1 HIS 67 HE1 HIS 67 -14.606 10.769 0.142 550 HE2 HIS 67 HE2 HIS 67 -13.759 8.581 -0.764 551 H THR 68 HN THR 68 -12.256 10.192 6.617 552 HA THR 68 HA THR 68 -12.140 7.815 8.340 553 HB THR 68 HB THR 68 -11.264 10.441 9.396 554 HG1 THR 68 HG1 THR 68 -10.152 10.667 7.563 555 1HG2 THR 68 HG21 THR 68 -11.105 7.912 10.323 556 2HG2 THR 68 HG22 THR 68 -10.021 9.221 10.808 557 3HG2 THR 68 HG23 THR 68 -9.526 8.084 9.545 558 H THR 69 HN THR 69 -12.510 9.688 10.688 559 HA THR 69 HA THR 69 -14.188 10.156 12.088 560 HB THR 69 HB THR 69 -15.270 11.639 9.694 561 HG1 THR 69 HG1 THR 69 -13.023 12.013 11.255 562 1HG2 THR 69 HG21 THR 69 -16.433 13.003 11.082 563 2HG2 THR 69 HG22 THR 69 -15.341 12.744 12.442 564 3HG2 THR 69 HG23 THR 69 -16.541 11.497 12.002 565 H ASP 70 HN ASP 70 -16.483 10.277 9.414 566 HA ASP 70 HA ASP 70 -18.297 8.554 10.757 567 1HB ASP 70 HB3 ASP 70 -18.582 9.126 7.828 568 2HB ASP 70 HB2 ASP 70 -19.814 9.057 9.081 569 H GLU 71 HN GLU 71 -15.900 8.110 8.234 570 HA GLU 71 HA GLU 71 -16.684 5.272 8.128 571 1HB GLU 71 HB3 GLU 71 -15.537 6.959 5.897 572 2HB GLU 71 HB2 GLU 71 -15.868 5.233 5.792 573 1HG GLU 71 HG3 GLU 71 -18.248 5.653 6.083 574 2HG GLU 71 HG2 GLU 71 -17.930 7.372 6.257 575 H ASP 72 HN ASP 72 -14.732 4.186 6.768 576 HA ASP 72 HA ASP 72 -12.097 4.869 7.783 577 1HB ASP 72 HB2 ASP 72 -13.304 3.360 9.516 578 2HB ASP 72 HB3 ASP 72 -13.198 2.095 8.290 579 H THR 73 HN THR 73 -11.586 5.155 5.615 580 HA THR 73 HA THR 73 -11.027 2.800 4.081 581 HB THR 73 HB THR 73 -13.094 4.716 2.991 582 HG1 THR 73 HG1 THR 73 -13.480 2.646 4.562 583 1HG2 THR 73 HG21 THR 73 -11.851 2.275 1.782 584 2HG2 THR 73 HG22 THR 73 -11.870 3.916 1.156 585 3HG2 THR 73 HG23 THR 73 -13.359 2.982 1.216 586 H ILE 74 HN ILE 74 -9.475 3.070 2.679 587 HA ILE 74 HA ILE 74 -8.471 5.791 2.123 588 HB ILE 74 HB ILE 74 -6.933 3.196 1.840 589 1HG1 ILE 74 HG13 ILE 74 -7.609 3.578 4.207 590 2HG1 ILE 74 HG12 ILE 74 -5.865 3.646 3.971 591 1HG2 ILE 74 HG21 ILE 74 -6.412 5.735 0.884 592 2HG2 ILE 74 HG22 ILE 74 -5.403 5.606 2.338 593 3HG2 ILE 74 HG23 ILE 74 -5.253 4.412 1.059 594 1HD1 ILE 74 HD11 ILE 74 -7.323 5.469 5.353 595 2HD1 ILE 74 HD12 ILE 74 -5.743 5.787 4.626 596 3HD1 ILE 74 HD13 ILE 74 -7.214 6.230 3.750 597 H VAL 75 HN VAL 75 -8.703 6.462 0.016 598 HA VAL 75 HA VAL 75 -9.097 4.352 -1.986 599 HB VAL 75 HB VAL 75 -10.668 5.796 -3.162 600 1HG1 VAL 75 HG11 VAL 75 -12.560 5.575 -1.647 601 2HG1 VAL 75 HG12 VAL 75 -11.540 4.152 -1.596 602 3HG1 VAL 75 HG13 VAL 75 -11.441 5.331 -0.296 603 1HG2 VAL 75 HG21 VAL 75 -10.099 7.981 -2.615 604 2HG2 VAL 75 HG22 VAL 75 -11.649 7.733 -1.809 605 3HG2 VAL 75 HG23 VAL 75 -10.132 7.664 -0.904 606 H LEU 76 HN LEU 76 -8.145 4.562 -3.884 607 HA LEU 76 HA LEU 76 -6.334 6.838 -4.213 608 1HB LEU 76 HB2 LEU 76 -6.124 4.014 -5.280 609 2HB LEU 76 HB3 LEU 76 -5.004 5.313 -5.659 610 HG LEU 76 HG LEU 76 -4.666 5.411 -3.069 611 1HD1 LEU 76 HD11 LEU 76 -5.271 2.488 -3.274 612 2HD1 LEU 76 HD12 LEU 76 -5.016 3.489 -1.838 613 3HD1 LEU 76 HD13 LEU 76 -6.511 3.630 -2.770 614 1HD2 LEU 76 HD21 LEU 76 -2.754 4.913 -4.139 615 2HD2 LEU 76 HD22 LEU 76 -3.064 3.322 -3.478 616 3HD2 LEU 76 HD23 LEU 76 -3.497 3.676 -5.144 617 H GLN 77 HN GLN 77 -6.942 8.237 -5.665 618 HA GLN 77 HA GLN 77 -8.814 7.476 -7.780 619 1HB GLN 77 HB3 GLN 77 -8.054 9.998 -6.400 620 2HB GLN 77 HB2 GLN 77 -8.474 10.139 -8.097 621 1HG GLN 77 HG2 GLN 77 -10.380 10.597 -6.727 622 2HG GLN 77 HG3 GLN 77 -10.644 9.128 -7.665 623 1HE2 GLN 77 HE21 GLN 77 -10.953 10.530 -4.719 624 2HE2 GLN 77 HE22 GLN 77 -11.328 9.103 -3.832 625 HA PRO 78 HA PRO 78 -6.612 7.747 -11.649 626 1HB PRO 78 HB2 PRO 78 -6.524 10.716 -11.354 627 2HB PRO 78 HB3 PRO 78 -6.873 9.746 -12.774 628 1HG PRO 78 HG3 PRO 78 -8.778 10.839 -11.011 629 2HG PRO 78 HG2 PRO 78 -9.076 9.603 -12.250 630 1HD PRO 78 HD3 PRO 78 -9.317 9.235 -9.483 631 2HD PRO 78 HD2 PRO 78 -9.200 7.947 -10.700 632 H GLN 79 HN GLN 79 -4.789 6.854 -11.121 633 HA GLN 79 HA GLN 79 -2.574 8.398 -10.006 634 1HB GLN 79 HB2 GLN 79 -2.548 5.432 -10.437 635 2HB GLN 79 HB3 GLN 79 -1.693 6.384 -9.228 636 1HG GLN 79 HG3 GLN 79 -3.792 6.779 -8.054 637 2HG GLN 79 HG2 GLN 79 -4.648 5.826 -9.265 638 1HE2 GLN 79 HE21 GLN 79 -5.158 3.904 -8.485 639 2HE2 GLN 79 HE22 GLN 79 -4.254 3.026 -7.313 640 H GLU 80 HN GLU 80 -3.743 6.582 -12.700 641 HA GLU 80 HA GLU 80 -1.598 7.516 -14.422 642 1HB GLU 80 HB3 GLU 80 -2.191 4.602 -13.935 643 2HB GLU 80 HB2 GLU 80 -1.462 5.149 -15.431 644 1HG GLU 80 HG2 GLU 80 0.379 6.147 -14.038 645 2HG GLU 80 HG3 GLU 80 -0.328 5.292 -12.658 646 HA PRO 81 HA PRO 81 -4.813 7.910 -17.424 647 1HB PRO 81 HB2 PRO 81 -3.191 6.359 -19.363 648 2HB PRO 81 HB3 PRO 81 -3.852 8.018 -19.494 649 1HG PRO 81 HG2 PRO 81 -1.250 7.577 -19.092 650 2HG PRO 81 HG3 PRO 81 -2.089 8.932 -18.327 651 1HD PRO 81 HD2 PRO 81 -1.227 6.325 -17.138 652 2HD PRO 81 HD3 PRO 81 -1.232 7.950 -16.414 653 H GLY 82 HN GLY 82 -3.259 4.756 -17.226 654 1HA GLY 82 HA1 GLY 82 -5.653 3.366 -18.160 655 2HA GLY 82 HA2 GLY 82 -4.115 2.625 -17.715 656 H LEU 83 HN LEU 83 -3.538 3.016 -15.351 657 HA LEU 83 HA LEU 83 -4.481 1.535 -13.569 658 1HB LEU 83 HB3 LEU 83 -3.092 3.847 -13.334 659 2HB LEU 83 HB2 LEU 83 -4.510 4.235 -12.383 660 HG LEU 83 HG LEU 83 -4.033 2.630 -10.760 661 1HD1 LEU 83 HD11 LEU 83 -3.698 0.789 -12.443 662 2HD1 LEU 83 HD12 LEU 83 -2.017 1.325 -12.587 663 3HD1 LEU 83 HD13 LEU 83 -2.623 0.723 -11.038 664 1HD2 LEU 83 HD21 LEU 83 -1.769 4.188 -11.756 665 2HD2 LEU 83 HD22 LEU 83 -2.356 3.976 -10.104 666 3HD2 LEU 83 HD23 LEU 83 -1.280 2.778 -10.813 667 HA PRO 84 HA PRO 84 -8.945 1.830 -13.358 668 1HB PRO 84 HB2 PRO 84 -9.188 -0.232 -11.574 669 2HB PRO 84 HB3 PRO 84 -8.906 -0.463 -13.299 670 1HG PRO 84 HG2 PRO 84 -6.920 -0.423 -11.042 671 2HG PRO 84 HG3 PRO 84 -7.092 -1.616 -12.343 672 1HD PRO 84 HD2 PRO 84 -5.246 0.289 -12.503 673 2HD PRO 84 HD3 PRO 84 -6.188 -0.179 -13.943 674 H SER 85 HN SER 85 -10.055 0.879 -10.888 675 HA SER 85 HA SER 85 -9.697 3.273 -9.243 676 1HB SER 85 HB2 SER 85 -11.938 1.242 -9.151 677 2HB SER 85 HB3 SER 85 -11.904 2.822 -8.374 678 HG SER 85 HG SER 85 -11.703 3.671 -10.606 679 H PHE 86 HN PHE 86 -8.500 3.001 -7.484 680 HA PHE 86 HA PHE 86 -8.275 0.286 -6.372 681 1HB PHE 86 HB3 PHE 86 -6.202 1.200 -7.355 682 2HB PHE 86 HB2 PHE 86 -6.306 2.591 -6.285 683 HD1 PHE 86 HD1 PHE 86 -3.932 1.967 -5.801 684 HD2 PHE 86 HD2 PHE 86 -7.224 -0.499 -4.708 685 HE1 PHE 86 HE1 PHE 86 -2.514 0.834 -4.142 686 HE2 PHE 86 HE2 PHE 86 -5.816 -1.615 -3.020 687 HZ PHE 86 HZ PHE 86 -3.463 -0.945 -2.740 688 H ARG 87 HN ARG 87 -8.928 -0.047 -4.319 689 HA ARG 87 HA ARG 87 -9.154 2.250 -2.512 690 1HB ARG 87 HB2 ARG 87 -11.339 0.175 -2.589 691 2HB ARG 87 HB3 ARG 87 -11.354 1.739 -1.776 692 1HG ARG 87 HG3 ARG 87 -12.651 2.337 -3.496 693 2HG ARG 87 HG2 ARG 87 -11.106 2.490 -4.370 694 1HD ARG 87 HD3 ARG 87 -11.329 0.290 -5.291 695 2HD ARG 87 HD2 ARG 87 -12.717 -0.068 -4.260 696 HE ARG 87 HE ARG 87 -13.247 2.170 -5.930 697 1HH1 ARG 87 HH11 ARG 87 -12.533 -1.226 -6.777 698 2HH1 ARG 87 HH12 ARG 87 -14.233 -1.566 -6.712 699 1HH2 ARG 87 HH21 ARG 87 -15.446 1.217 -7.438 700 2HH2 ARG 87 HH22 ARG 87 -14.234 0.910 -8.630 701 H ILE 88 HN ILE 88 -8.986 1.703 -0.314 702 HA ILE 88 HA ILE 88 -8.534 -1.115 0.323 703 HB ILE 88 HB ILE 88 -6.598 -0.122 1.898 704 1HG1 ILE 88 HG12 ILE 88 -6.414 1.542 -0.619 705 2HG1 ILE 88 HG13 ILE 88 -6.793 2.172 0.984 706 1HG2 ILE 88 HG21 ILE 88 -5.784 -0.680 -0.911 707 2HG2 ILE 88 HG22 ILE 88 -5.123 -1.318 0.603 708 3HG2 ILE 88 HG23 ILE 88 -6.654 -1.935 -0.015 709 1HD1 ILE 88 HD11 ILE 88 -4.593 2.626 0.960 710 2HD1 ILE 88 HD12 ILE 88 -4.471 0.956 1.507 711 3HD1 ILE 88 HD13 ILE 88 -4.219 1.352 -0.174 712 H LYS 89 HN LYS 89 -9.732 -1.638 2.029 713 HA LYS 89 HA LYS 89 -10.093 0.265 4.217 714 1HB LYS 89 HB3 LYS 89 -12.441 0.256 4.173 715 2HB LYS 89 HB2 LYS 89 -12.007 0.403 2.478 716 1HG LYS 89 HG2 LYS 89 -12.822 -1.611 1.923 717 2HG LYS 89 HG3 LYS 89 -12.409 -2.339 3.491 718 1HD LYS 89 HD2 LYS 89 -14.680 -0.403 2.988 719 2HD LYS 89 HD3 LYS 89 -14.842 -2.161 3.152 720 1HE LYS 89 HE3 LYS 89 -13.843 -1.965 5.428 721 2HE LYS 89 HE2 LYS 89 -13.916 -0.207 5.254 722 1HZ LYS 89 HZ1 LYS 89 -16.288 -0.343 5.010 723 2HZ LYS 89 HZ2 LYS 89 -15.821 -1.099 6.457 724 3HZ LYS 89 HZ3 LYS 89 -16.248 -2.035 5.104 725 HA PRO 90 HA PRO 90 -9.774 -3.477 6.550 726 1HB PRO 90 HB3 PRO 90 -10.972 -2.795 8.859 727 2HB PRO 90 HB2 PRO 90 -9.443 -2.103 8.384 728 1HG PRO 90 HG3 PRO 90 -12.182 -0.943 8.209 729 2HG PRO 90 HG2 PRO 90 -10.648 -0.149 8.664 730 1HD PRO 90 HD2 PRO 90 -11.823 0.042 6.182 731 2HD PRO 90 HD3 PRO 90 -10.097 0.256 6.486 732 H LYS 91 HN LYS 91 -11.440 -4.304 4.833 733 HA LYS 91 HA LYS 91 -14.175 -4.466 5.493 734 1HB LYS 91 HB2 LYS 91 -13.085 -4.845 3.227 735 2HB LYS 91 HB3 LYS 91 -12.698 -6.465 3.791 736 1HG LYS 91 HG3 LYS 91 -15.083 -6.911 4.132 737 2HG LYS 91 HG2 LYS 91 -15.468 -5.298 3.555 738 1HD LYS 91 HD2 LYS 91 -14.443 -5.844 1.386 739 2HD LYS 91 HD3 LYS 91 -14.101 -7.473 1.976 740 1HE LYS 91 HE3 LYS 91 -16.847 -6.245 1.661 741 2HE LYS 91 HE2 LYS 91 -16.106 -7.425 0.577 742 1HZ LYS 91 HZ1 LYS 91 -17.122 -7.811 3.314 743 2HZ LYS 91 HZ2 LYS 91 -15.939 -8.853 2.698 744 3HZ LYS 91 HZ3 LYS 91 -17.437 -8.716 1.911 745 H ASP 92 HN ASP 92 -11.754 -7.162 5.626 746 HA ASP 92 HA ASP 92 -13.117 -8.108 8.012 747 1HB ASP 92 HB3 ASP 92 -14.109 -9.161 5.879 748 2HB ASP 92 HB2 ASP 92 -12.566 -10.010 5.748 749 H PHE 93 HN PHE 93 -11.307 -7.796 9.252 750 HA PHE 93 HA PHE 93 -9.297 -9.806 9.156 751 1HB PHE 93 HB2 PHE 93 -8.588 -7.930 7.437 752 2HB PHE 93 HB3 PHE 93 -8.167 -7.039 8.892 753 HD1 PHE 93 HD1 PHE 93 -7.656 -10.507 7.575 754 HD2 PHE 93 HD2 PHE 93 -6.011 -7.083 9.498 755 HE1 PHE 93 HE1 PHE 93 -5.458 -11.615 7.679 756 HE2 PHE 93 HE2 PHE 93 -3.819 -8.182 9.584 757 HZ PHE 93 HZ PHE 93 -3.543 -10.445 8.676 758 H GLU 94 HN GLU 94 -8.755 -10.169 11.238 759 HA GLU 94 HA GLU 94 -9.539 -8.137 13.198 760 1HB GLU 94 HB2 GLU 94 -9.518 -9.987 14.827 761 2HB GLU 94 HB3 GLU 94 -10.588 -10.307 13.462 762 1HG GLU 94 HG2 GLU 94 -8.968 -11.787 12.484 763 2HG GLU 94 HG3 GLU 94 -7.798 -11.399 13.740 764 H THR 95 HN THR 95 -8.257 -8.012 15.191 765 HA THR 95 HA THR 95 -6.391 -7.399 16.291 766 HB THR 95 HB THR 95 -4.979 -9.589 14.764 767 HG1 THR 95 HG1 THR 95 -7.144 -9.722 16.414 768 1HG2 THR 95 HG21 THR 95 -4.385 -9.748 17.477 769 2HG2 THR 95 HG22 THR 95 -4.322 -8.017 17.104 770 3HG2 THR 95 HG23 THR 95 -3.323 -9.156 16.190 771 H SER 96 HN SER 96 -6.815 -5.627 14.355 772 HA SER 96 HA SER 96 -4.136 -4.803 13.630 773 1HB SER 96 HB3 SER 96 -6.287 -5.275 11.543 774 2HB SER 96 HB2 SER 96 -4.789 -4.390 11.245 775 HG SER 96 HG SER 96 -4.291 -6.788 12.399 776 H GLU 97 HN GLU 97 -6.254 -4.007 15.392 777 HA GLU 97 HA GLU 97 -7.744 -1.799 14.454 778 1HB GLU 97 HB2 GLU 97 -6.708 -2.049 17.269 779 2HB GLU 97 HB3 GLU 97 -8.203 -1.301 16.723 780 1HG GLU 97 HG2 GLU 97 -9.131 -3.441 16.159 781 2HG GLU 97 HG3 GLU 97 -7.598 -4.232 16.521 782 H TYR 98 HN TYR 98 -4.678 -1.920 16.249 783 HA TYR 98 HA TYR 98 -4.227 0.843 16.285 784 1HB TYR 98 HB2 TYR 98 -2.304 -1.480 16.442 785 2HB TYR 98 HB3 TYR 98 -1.770 0.190 16.569 786 HD1 TYR 98 HD1 TYR 98 -4.280 -2.123 18.080 787 HD2 TYR 98 HD2 TYR 98 -1.605 1.124 18.658 788 HE1 TYR 98 HE1 TYR 98 -4.786 -2.155 20.492 789 HE2 TYR 98 HE2 TYR 98 -2.080 1.101 21.069 790 HH TYR 98 HH TYR 98 -4.331 -1.273 22.501 791 H VAL 99 HN VAL 99 -2.888 -1.599 14.051 792 HA VAL 99 HA VAL 99 -1.459 0.172 12.461 793 HB VAL 99 HB VAL 99 -2.684 -2.420 11.510 794 1HG1 VAL 99 HG21 VAL 99 -1.175 -0.646 10.124 795 2HG1 VAL 99 HG22 VAL 99 0.065 -1.718 10.781 796 3HG1 VAL 99 HG23 VAL 99 -1.242 -2.394 9.806 797 1HG2 VAL 99 HG11 VAL 99 -1.055 -2.045 13.762 798 2HG2 VAL 99 HG12 VAL 99 -1.489 -3.560 12.990 799 3HG2 VAL 99 HG13 VAL 99 -0.015 -2.732 12.498 800 H ARG 100 HN ARG 100 -4.816 -0.930 12.146 801 HA ARG 100 HA ARG 100 -5.414 0.099 9.621 802 1HB ARG 100 HB2 ARG 100 -6.875 -0.809 11.951 803 2HB ARG 100 HB3 ARG 100 -7.705 0.506 11.151 804 1HG ARG 100 HG3 ARG 100 -8.426 -1.698 10.379 805 2HG ARG 100 HG2 ARG 100 -7.748 -0.718 9.081 806 1HD ARG 100 HD3 ARG 100 -5.648 -1.938 9.243 807 2HD ARG 100 HD2 ARG 100 -6.263 -2.849 10.614 808 HE ARG 100 HE ARG 100 -8.039 -3.234 8.524 809 1HH1 ARG 100 HH12 ARG 100 -4.447 -4.036 8.413 810 2HH1 ARG 100 HH11 ARG 100 -5.012 -5.427 9.299 811 1HH2 ARG 100 HH22 ARG 100 -7.934 -5.657 7.782 812 2HH2 ARG 100 HH21 ARG 100 -6.568 -5.653 6.724 813 H LYS 101 HN LYS 101 -5.936 1.654 12.773 814 HA LYS 101 HA LYS 101 -6.759 4.115 11.659 815 1HB LYS 101 HB3 LYS 101 -5.977 3.205 14.387 816 2HB LYS 101 HB2 LYS 101 -6.177 4.923 14.064 817 1HG LYS 101 HG2 LYS 101 -8.251 4.172 14.880 818 2HG LYS 101 HG3 LYS 101 -8.468 4.336 13.142 819 1HD LYS 101 HD3 LYS 101 -8.009 1.880 12.938 820 2HD LYS 101 HD2 LYS 101 -8.029 1.793 14.693 821 1HE LYS 101 HE2 LYS 101 -10.183 1.150 13.928 822 2HE LYS 101 HE3 LYS 101 -10.323 2.755 14.638 823 1HZ LYS 101 HZ1 LYS 101 -9.961 3.505 12.190 824 2HZ LYS 101 HZ2 LYS 101 -11.496 3.021 12.718 825 3HZ LYS 101 HZ3 LYS 101 -10.530 1.951 11.833 826 H ALA 102 HN ALA 102 -3.678 2.768 12.266 827 HA ALA 102 HA ALA 102 -2.175 5.172 12.412 828 1HB ALA 102 HB1 ALA 102 -0.360 3.410 11.515 829 2HB ALA 102 HB2 ALA 102 -0.871 3.511 13.196 830 3HB ALA 102 HB3 ALA 102 -1.580 2.302 12.135 831 H TRP 103 HN TRP 103 -2.528 2.809 9.710 832 HA TRP 103 HA TRP 103 -1.229 4.195 7.718 833 1HB TRP 103 HB3 TRP 103 -3.671 2.449 7.529 834 2HB TRP 103 HB2 TRP 103 -2.860 3.100 6.108 835 HD1 TRP 103 HD1 TRP 103 -1.940 0.881 9.157 836 HE1 TRP 103 HE1 TRP 103 -0.279 -0.910 8.343 837 HE3 TRP 103 HE3 TRP 103 -1.345 2.440 4.321 838 HZ2 TRP 103 HZ2 TRP 103 1.114 -1.553 5.970 839 HZ3 TRP 103 HZ3 TRP 103 0.171 1.171 2.848 840 HH2 TRP 103 HH2 TRP 103 1.377 -0.774 3.655 841 H LEU 104 HN LEU 104 -4.300 4.954 9.119 842 HA LEU 104 HA LEU 104 -5.357 6.585 7.052 843 1HB LEU 104 HB2 LEU 104 -5.927 6.156 9.927 844 2HB LEU 104 HB3 LEU 104 -6.382 7.720 9.291 845 HG LEU 104 HG LEU 104 -8.241 6.080 9.293 846 1HD1 LEU 104 HD21 LEU 104 -7.400 6.950 6.540 847 2HD1 LEU 104 HD22 LEU 104 -9.041 6.629 7.095 848 3HD1 LEU 104 HD23 LEU 104 -8.139 7.992 7.730 849 1HD2 LEU 104 HD11 LEU 104 -6.371 4.299 8.366 850 2HD2 LEU 104 HD12 LEU 104 -8.124 4.051 8.376 851 3HD2 LEU 104 HD13 LEU 104 -7.318 4.663 6.925 852 H ARG 105 HN ARG 105 -2.986 7.040 9.536 853 HA ARG 105 HA ARG 105 -2.846 9.918 9.038 854 1HB ARG 105 HB3 ARG 105 -2.588 8.896 11.390 855 2HB ARG 105 HB2 ARG 105 -0.994 8.364 10.855 856 1HG ARG 105 HG3 ARG 105 -1.478 11.173 10.291 857 2HG ARG 105 HG2 ARG 105 -1.634 10.797 11.999 858 1HD ARG 105 HD2 ARG 105 0.609 11.462 11.577 859 2HD ARG 105 HD3 ARG 105 0.598 9.730 11.936 860 HE ARG 105 HE ARG 105 0.501 10.060 9.149 861 1HH1 ARG 105 HH11 ARG 105 3.197 10.065 11.703 862 2HH1 ARG 105 HH12 ARG 105 3.437 11.594 10.895 863 1HH2 ARG 105 HH22 ARG 105 2.866 10.637 7.944 864 2HH2 ARG 105 HH21 ARG 105 3.503 9.158 8.572 865 H ASP 106 HN ASP 106 -1.022 6.937 8.664 866 HA ASP 106 HA ASP 106 1.323 8.034 7.546 867 1HB ASP 106 HB2 ASP 106 0.088 5.294 7.405 868 2HB ASP 106 HB3 ASP 106 1.604 5.670 6.599 869 H ILE 107 HN ILE 107 -1.766 8.007 6.160 870 HA ILE 107 HA ILE 107 -0.552 8.124 3.492 871 HB ILE 107 HB ILE 107 -2.510 6.385 4.236 872 1HG1 ILE 107 HG12 ILE 107 -3.095 6.287 1.772 873 2HG1 ILE 107 HG13 ILE 107 -2.069 7.694 1.543 874 1HG2 ILE 107 HG21 ILE 107 -3.922 8.843 3.239 875 2HG2 ILE 107 HG22 ILE 107 -4.639 7.230 3.253 876 3HG2 ILE 107 HG23 ILE 107 -4.157 7.988 4.766 877 1HD1 ILE 107 HD11 ILE 107 -0.827 5.727 0.981 878 2HD1 ILE 107 HD12 ILE 107 -0.172 6.385 2.485 879 3HD1 ILE 107 HD13 ILE 107 -1.240 4.970 2.540 880 H ALA 108 HN ALA 108 -2.103 9.675 6.008 881 HA ALA 108 HA ALA 108 -3.367 11.833 4.598 882 1HB ALA 108 HB1 ALA 108 -3.451 10.863 7.182 883 2HB ALA 108 HB2 ALA 108 -2.640 12.428 7.334 884 3HB ALA 108 HB3 ALA 108 -4.236 12.333 6.583 885 H GLU 109 HN GLU 109 -0.253 10.988 5.490 886 HA GLU 109 HA GLU 109 0.937 13.251 4.268 887 1HB GLU 109 HB3 GLU 109 2.310 13.811 6.371 888 2HB GLU 109 HB2 GLU 109 0.670 14.443 6.268 889 1HG GLU 109 HG2 GLU 109 0.052 12.285 7.582 890 2HG GLU 109 HG3 GLU 109 1.760 12.280 8.011 891 H GLU 110 HN GLU 110 1.531 11.386 3.084 892 HA GLU 110 HA GLU 110 3.065 9.235 4.112 893 1HB GLU 110 HB3 GLU 110 3.355 10.101 1.264 894 2HB GLU 110 HB2 GLU 110 3.228 8.484 1.937 895 1HG GLU 110 HG2 GLU 110 1.009 8.434 1.772 896 2HG GLU 110 HG3 GLU 110 0.811 10.131 2.188 897 H GLN 111 HN GLN 111 5.231 8.759 2.962 898 HA GLN 111 HA GLN 111 7.482 9.140 3.387 899 1HB GLN 111 HB3 GLN 111 8.304 10.583 1.450 900 2HB GLN 111 HB2 GLN 111 7.333 9.171 1.055 901 1HG GLN 111 HG2 GLN 111 5.350 10.831 1.032 902 2HG GLN 111 HG3 GLN 111 6.605 12.070 0.911 903 1HE2 GLN 111 HE21 GLN 111 4.529 10.338 -0.868 904 2HE2 GLN 111 HE22 GLN 111 5.377 10.337 -2.371 905 H GLU 112 HN GLU 112 7.595 10.076 5.419 906 HA GLU 112 HA GLU 112 7.302 12.805 5.989 907 1HB GLU 112 HB2 GLU 112 9.136 10.849 7.371 908 2HB GLU 112 HB3 GLU 112 8.464 12.320 8.064 909 1HG GLU 112 HG2 GLU 112 7.101 10.746 9.010 910 2HG GLU 112 HG3 GLU 112 6.176 11.121 7.549 911 H LYS 113 HN LYS 113 9.953 10.953 4.717 912 HA LYS 113 HA LYS 113 11.984 12.884 5.156 913 1HB LYS 113 HB3 LYS 113 11.820 10.454 3.379 914 2HB LYS 113 HB2 LYS 113 13.260 11.468 3.459 915 1HG LYS 113 HG2 LYS 113 13.619 9.628 4.920 916 2HG LYS 113 HG3 LYS 113 13.306 11.031 5.941 917 1HD LYS 113 HD2 LYS 113 10.957 10.296 6.194 918 2HD LYS 113 HD3 LYS 113 11.336 8.864 5.231 919 1HE LYS 113 HE2 LYS 113 12.912 8.098 6.873 920 2HE LYS 113 HE3 LYS 113 12.683 9.562 7.832 921 1HZ LYS 113 HZ1 LYS 113 10.259 8.853 7.959 922 2HZ LYS 113 HZ2 LYS 113 11.365 7.920 8.845 923 3HZ LYS 113 HZ3 LYS 113 10.775 7.342 7.362 924 H TYR 114 HN TYR 114 9.562 12.556 2.744 925 HA TYR 114 HA TYR 114 10.736 13.891 0.569 926 1HB TYR 114 HB3 TYR 114 8.744 12.692 0.188 927 2HB TYR 114 HB2 TYR 114 7.896 13.523 1.492 928 HD1 TYR 114 HD1 TYR 114 7.151 15.870 1.168 929 HD2 TYR 114 HD2 TYR 114 8.773 13.563 -2.009 930 HE1 TYR 114 HE1 TYR 114 6.180 17.437 -0.449 931 HE2 TYR 114 HE2 TYR 114 7.810 15.124 -3.644 932 HH TYR 114 HH TYR 114 6.640 18.171 -2.789 933 H ALA 115 HN ALA 115 9.026 15.110 3.387 934 HA ALA 115 HA ALA 115 8.939 17.807 2.500 935 1HB ALA 115 HB1 ALA 115 8.870 17.317 5.393 936 2HB ALA 115 HB2 ALA 115 7.754 18.198 4.364 937 3HB ALA 115 HB3 ALA 115 7.666 16.453 4.445 938 H ALA 116 HN ALA 116 10.665 18.973 2.173 939 HA ALA 116 HA ALA 116 13.170 18.513 3.489 940 1HB ALA 116 HB1 ALA 116 13.634 20.831 2.334 941 2HB ALA 116 HB2 ALA 116 13.486 19.354 1.366 942 3HB ALA 116 HB3 ALA 116 12.124 20.470 1.487 943 H GLU 117 HN GLU 117 10.416 20.576 3.874 944 HA GLU 117 HA GLU 117 11.727 21.993 6.070 945 1HB GLU 117 HB3 GLU 117 10.538 23.297 4.286 946 2HB GLU 117 HB2 GLU 117 9.040 22.563 4.826 947 1HG GLU 117 HG2 GLU 117 9.472 23.541 7.085 948 2HG GLU 117 HG3 GLU 117 10.835 24.403 6.374 949 H ARG 118 HN ARG 118 11.462 21.157 7.992 950 HA ARG 118 HA ARG 118 8.849 20.065 8.731 951 1HB ARG 118 HB3 ARG 118 10.244 18.166 8.023 952 2HB ARG 118 HB2 ARG 118 11.494 18.659 9.153 953 1HG ARG 118 HG3 ARG 118 9.929 18.259 11.016 954 2HG ARG 118 HG2 ARG 118 8.752 17.665 9.844 955 1HD ARG 118 HD2 ARG 118 10.290 15.911 9.145 956 2HD ARG 118 HD3 ARG 118 11.512 16.522 10.257 957 HE ARG 118 HE ARG 118 9.206 15.929 11.731 958 1HH1 ARG 118 HH12 ARG 118 11.512 13.865 9.780 959 2HH1 ARG 118 HH11 ARG 118 12.268 13.708 11.358 960 1HH2 ARG 118 HH22 ARG 118 9.572 14.016 13.225 961 2HH2 ARG 118 HH21 ARG 118 9.808 12.579 12.293 962 H ASP 119 HN ASP 119 12.037 20.046 10.245 963 HA ASP 119 HA ASP 119 11.373 22.210 12.030 964 1HB ASP 119 HB3 ASP 119 10.287 20.425 13.224 965 2HB ASP 119 HB2 ASP 119 11.689 19.377 13.060 Start of MODEL 5 1 1H MET 1 HT1 MET 1 20.716 -9.231 20.366 2 2H MET 1 HT2 MET 1 21.275 -7.853 21.225 3 3H MET 1 HT3 MET 1 22.119 -9.346 21.352 4 HA MET 1 HA MET 1 22.490 -7.275 19.557 5 1HB MET 1 HB3 MET 1 23.662 -10.001 20.074 6 2HB MET 1 HB2 MET 1 24.296 -8.969 18.799 7 1HG MET 1 HG3 MET 1 25.649 -8.700 20.748 8 2HG MET 1 HG2 MET 1 24.724 -7.214 20.507 9 1HE MET 1 HE1 MET 1 26.107 -7.836 23.458 10 2HE MET 1 HE2 MET 1 25.258 -6.398 22.869 11 3HE MET 1 HE3 MET 1 24.749 -7.172 24.367 12 H GLY 2 HN GLY 2 22.545 -7.257 17.294 13 1HA GLY 2 HA1 GLY 2 22.211 -8.386 15.171 14 2HA GLY 2 HA2 GLY 2 21.004 -9.394 15.955 15 H ASP 3 HN ASP 3 19.599 -8.694 14.164 16 HA ASP 3 HA ASP 3 18.828 -5.935 14.006 17 1HB ASP 3 HB2 ASP 3 18.635 -7.319 12.022 18 2HB ASP 3 HB3 ASP 3 17.563 -8.432 12.862 19 H THR 4 HN THR 4 17.063 -8.867 14.920 20 HA THR 4 HA THR 4 15.431 -9.315 16.407 21 HB THR 4 HB THR 4 16.166 -6.734 17.796 22 HG1 THR 4 HG1 THR 4 17.378 -9.296 17.837 23 1HG2 THR 4 HG21 THR 4 15.526 -9.057 19.419 24 2HG2 THR 4 HG22 THR 4 14.180 -8.540 18.396 25 3HG2 THR 4 HG23 THR 4 14.929 -7.399 19.523 26 H GLY 5 HN GLY 5 15.168 -5.770 16.509 27 1HA GLY 5 HA2 GLY 5 12.770 -5.851 14.869 28 2HA GLY 5 HA1 GLY 5 12.523 -5.403 16.555 29 H LYS 6 HN LYS 6 14.719 -4.581 13.857 30 HA LYS 6 HA LYS 6 14.825 -1.844 14.860 31 1HB LYS 6 HB3 LYS 6 16.335 -3.236 12.644 32 2HB LYS 6 HB2 LYS 6 16.495 -1.523 12.994 33 1HG LYS 6 HG2 LYS 6 17.362 -2.015 15.198 34 2HG LYS 6 HG3 LYS 6 17.104 -3.733 14.947 35 1HD LYS 6 HD2 LYS 6 18.721 -3.690 13.087 36 2HD LYS 6 HD3 LYS 6 18.998 -1.983 13.378 37 1HE LYS 6 HE3 LYS 6 19.912 -2.427 15.550 38 2HE LYS 6 HE2 LYS 6 19.464 -4.125 15.442 39 1HZ LYS 6 HZ1 LYS 6 20.999 -4.162 13.410 40 2HZ LYS 6 HZ2 LYS 6 21.717 -4.107 14.946 41 3HZ LYS 6 HZ3 LYS 6 21.617 -2.692 14.015 42 H LEU 7 HN LEU 7 15.036 -0.266 12.732 43 HA LEU 7 HA LEU 7 12.351 -0.356 11.626 44 1HB LEU 7 HB3 LEU 7 14.490 1.768 11.386 45 2HB LEU 7 HB2 LEU 7 12.840 1.920 10.814 46 HG LEU 7 HG LEU 7 13.576 1.518 13.712 47 1HD1 LEU 7 HD21 LEU 7 12.525 4.095 13.289 48 2HD1 LEU 7 HD22 LEU 7 14.141 3.652 13.830 49 3HD1 LEU 7 HD23 LEU 7 13.821 3.865 12.108 50 1HD2 LEU 7 HD11 LEU 7 11.070 1.594 12.237 51 2HD2 LEU 7 HD12 LEU 7 11.409 1.029 13.870 52 3HD2 LEU 7 HD13 LEU 7 11.127 2.743 13.589 53 H GLY 8 HN GLY 8 12.918 -2.283 10.320 54 1HA GLY 8 HA1 GLY 8 14.642 -1.799 8.021 55 2HA GLY 8 HA2 GLY 8 13.784 -3.297 8.392 56 H ARG 9 HN ARG 9 11.254 -2.110 8.808 57 HA ARG 9 HA ARG 9 10.400 -1.819 6.053 58 1HB ARG 9 HB2 ARG 9 8.738 -1.726 8.579 59 2HB ARG 9 HB3 ARG 9 8.169 -2.035 6.944 60 1HG ARG 9 HG3 ARG 9 8.972 -4.186 6.920 61 2HG ARG 9 HG2 ARG 9 10.219 -3.838 8.130 62 1HD ARG 9 HD2 ARG 9 8.269 -3.476 9.751 63 2HD ARG 9 HD3 ARG 9 7.264 -4.258 8.529 64 HE ARG 9 HE ARG 9 8.994 -5.530 10.379 65 1HH1 ARG 9 HH12 ARG 9 8.026 -6.192 6.874 66 2HH1 ARG 9 HH11 ARG 9 7.155 -7.496 7.632 67 1HH2 ARG 9 HH21 ARG 9 9.961 -7.991 9.414 68 2HH2 ARG 9 HH22 ARG 9 8.300 -8.333 9.835 69 H ILE 10 HN ILE 10 11.426 0.141 5.635 70 HA ILE 10 HA ILE 10 11.462 2.480 6.943 71 HB ILE 10 HB ILE 10 12.646 2.249 4.927 72 1HG1 ILE 10 HG12 ILE 10 11.944 4.308 3.649 73 2HG1 ILE 10 HG13 ILE 10 10.536 4.389 4.698 74 1HG2 ILE 10 HG21 ILE 10 11.553 2.168 2.712 75 2HG2 ILE 10 HG22 ILE 10 11.233 0.748 3.716 76 3HG2 ILE 10 HG23 ILE 10 10.000 1.989 3.525 77 1HD1 ILE 10 HD11 ILE 10 11.952 4.671 6.637 78 2HD1 ILE 10 HD12 ILE 10 13.393 4.489 5.637 79 3HD1 ILE 10 HD13 ILE 10 12.341 5.885 5.416 80 H ILE 11 HN ILE 11 8.670 1.472 4.917 81 HA ILE 11 HA ILE 11 7.212 3.747 6.081 82 HB ILE 11 HB ILE 11 6.383 2.079 3.689 83 1HG1 ILE 11 HG13 ILE 11 7.535 4.872 3.854 84 2HG1 ILE 11 HG12 ILE 11 8.277 3.464 3.091 85 1HG2 ILE 11 HG21 ILE 11 4.631 3.282 5.244 86 2HG2 ILE 11 HG22 ILE 11 5.162 4.718 4.370 87 3HG2 ILE 11 HG23 ILE 11 4.478 3.344 3.471 88 1HD1 ILE 11 HD11 ILE 11 5.612 4.160 2.070 89 2HD1 ILE 11 HD12 ILE 11 6.874 5.364 1.776 90 3HD1 ILE 11 HD13 ILE 11 7.087 3.708 1.207 91 H ARG 12 HN ARG 12 5.453 1.017 4.789 92 HA ARG 12 HA ARG 12 5.181 -0.297 7.352 93 1HB ARG 12 HB3 ARG 12 2.892 1.267 6.142 94 2HB ARG 12 HB2 ARG 12 2.641 -0.068 7.262 95 1HG ARG 12 HG3 ARG 12 3.868 1.054 8.996 96 2HG ARG 12 HG2 ARG 12 4.286 2.367 7.899 97 1HD ARG 12 HD2 ARG 12 1.958 2.994 7.713 98 2HD ARG 12 HD3 ARG 12 1.491 1.635 8.742 99 HE ARG 12 HE ARG 12 2.452 4.184 9.589 100 1HH1 ARG 12 HH11 ARG 12 2.996 0.734 10.965 101 2HH1 ARG 12 HH12 ARG 12 1.681 1.284 11.951 102 1HH2 ARG 12 HH21 ARG 12 3.633 4.271 11.874 103 2HH2 ARG 12 HH22 ARG 12 2.346 3.542 12.789 104 H HIS 13 HN HIS 13 3.286 -1.937 7.179 105 HA HIS 13 HA HIS 13 2.771 -2.998 4.550 106 1HB HIS 13 HB2 HIS 13 3.998 -4.981 4.620 107 2HB HIS 13 HB3 HIS 13 5.128 -3.829 5.309 108 HD1 HIS 13 HD1 HIS 13 4.892 -3.806 8.161 109 HD2 HIS 13 HD2 HIS 13 3.876 -7.246 6.047 110 HE1 HIS 13 HE1 HIS 13 5.011 -5.692 9.823 111 HE2 HIS 13 HE2 HIS 13 4.414 -7.767 8.523 112 H ASP 14 HN ASP 14 0.863 -4.109 4.544 113 HA ASP 14 HA ASP 14 -0.082 -5.371 6.973 114 1HB ASP 14 HB2 ASP 14 -0.779 -2.859 7.007 115 2HB ASP 14 HB3 ASP 14 -1.919 -3.330 5.747 116 H ALA 15 HN ALA 15 -2.100 -6.520 6.620 117 HA ALA 15 HA ALA 15 -2.281 -7.477 3.841 118 1HB ALA 15 HB1 ALA 15 -3.570 -9.223 5.706 119 2HB ALA 15 HB2 ALA 15 -2.175 -9.534 4.674 120 3HB ALA 15 HB3 ALA 15 -1.946 -8.844 6.277 121 H PHE 16 HN PHE 16 -3.785 -6.052 3.050 122 HA PHE 16 HA PHE 16 -6.290 -5.706 4.481 123 1HB PHE 16 HB2 PHE 16 -5.287 -4.498 1.897 124 2HB PHE 16 HB3 PHE 16 -6.861 -4.160 2.598 125 HD1 PHE 16 HD1 PHE 16 -3.232 -3.979 3.397 126 HD2 PHE 16 HD2 PHE 16 -7.128 -2.411 4.050 127 HE1 PHE 16 HE1 PHE 16 -2.267 -2.140 4.716 128 HE2 PHE 16 HE2 PHE 16 -6.171 -0.571 5.374 129 HZ PHE 16 HZ PHE 16 -3.738 -0.433 5.705 130 H GLN 17 HN GLN 17 -8.311 -6.162 3.551 131 HA GLN 17 HA GLN 17 -8.336 -7.952 1.241 132 1HB GLN 17 HB3 GLN 17 -8.301 -9.239 3.462 133 2HB GLN 17 HB2 GLN 17 -9.905 -8.580 3.746 134 1HG GLN 17 HG3 GLN 17 -10.796 -9.714 1.864 135 2HG GLN 17 HG2 GLN 17 -9.187 -10.177 1.307 136 1HE2 GLN 17 HE21 GLN 17 -9.156 -10.388 4.572 137 2HE2 GLN 17 HE22 GLN 17 -9.372 -12.099 4.709 138 H VAL 18 HN VAL 18 -8.991 -5.925 0.374 139 HA VAL 18 HA VAL 18 -11.855 -5.335 0.720 140 HB VAL 18 HB VAL 18 -10.686 -3.742 2.058 141 1HG1 VAL 18 HG11 VAL 18 -8.921 -3.276 -0.340 142 2HG1 VAL 18 HG12 VAL 18 -8.832 -2.400 1.200 143 3HG1 VAL 18 HG13 VAL 18 -8.470 -4.140 1.137 144 1HG2 VAL 18 HG21 VAL 18 -12.182 -2.958 -0.200 145 2HG2 VAL 18 HG22 VAL 18 -11.959 -2.085 1.324 146 3HG2 VAL 18 HG23 VAL 18 -10.860 -1.806 -0.030 147 H TRP 19 HN TRP 19 -12.851 -4.445 -1.053 148 HA TRP 19 HA TRP 19 -12.671 -5.410 -3.489 149 1HB TRP 19 HB2 TRP 19 -13.347 -2.521 -2.934 150 2HB TRP 19 HB3 TRP 19 -13.946 -3.506 -4.271 151 HD1 TRP 19 HD1 TRP 19 -15.685 -5.519 -3.591 152 HE1 TRP 19 HE1 TRP 19 -17.369 -5.676 -1.646 153 HE3 TRP 19 HE3 TRP 19 -13.696 -1.963 -0.517 154 HZ2 TRP 19 HZ2 TRP 19 -17.790 -4.450 0.855 155 HZ3 TRP 19 HZ3 TRP 19 -14.801 -1.514 1.635 156 HH2 TRP 19 HH2 TRP 19 -16.799 -2.740 2.312 157 H GLU 20 HN GLU 20 -11.580 -5.248 -5.326 158 HA GLU 20 HA GLU 20 -9.139 -3.669 -5.399 159 1HB GLU 20 HB2 GLU 20 -9.192 -6.095 -6.016 160 2HB GLU 20 HB3 GLU 20 -10.225 -5.685 -7.377 161 1HG GLU 20 HG3 GLU 20 -8.424 -4.342 -8.341 162 2HG GLU 20 HG2 GLU 20 -7.385 -4.775 -6.981 163 H GLY 21 HN GLY 21 -11.820 -2.576 -5.604 164 1HA GLY 21 HA2 GLY 21 -11.915 -0.356 -6.823 165 2HA GLY 21 HA1 GLY 21 -11.728 -1.340 -8.273 166 H ASP 22 HN ASP 22 -13.642 -1.477 -9.299 167 HA ASP 22 HA ASP 22 -16.107 -1.513 -7.729 168 1HB ASP 22 HB3 ASP 22 -17.282 -1.332 -9.879 169 2HB ASP 22 HB2 ASP 22 -16.087 -0.057 -9.694 170 H GLU 23 HN GLU 23 -13.983 -3.725 -8.230 171 HA GLU 23 HA GLU 23 -15.774 -5.854 -9.145 172 1HB GLU 23 HB3 GLU 23 -12.786 -5.830 -8.656 173 2HB GLU 23 HB2 GLU 23 -13.703 -7.236 -9.197 174 1HG GLU 23 HG2 GLU 23 -14.383 -5.924 -11.200 175 2HG GLU 23 HG3 GLU 23 -13.268 -4.660 -10.682 176 HA PRO 24 HA PRO 24 -16.483 -7.726 -5.189 177 1HB PRO 24 HB2 PRO 24 -14.865 -10.088 -6.004 178 2HB PRO 24 HB3 PRO 24 -16.520 -10.014 -5.371 179 1HG PRO 24 HG2 PRO 24 -16.025 -10.470 -7.961 180 2HG PRO 24 HG3 PRO 24 -17.422 -9.544 -7.431 181 1HD PRO 24 HD2 PRO 24 -14.912 -8.610 -8.706 182 2HD PRO 24 HD3 PRO 24 -16.546 -7.915 -8.776 183 HA PRO 25 HA PRO 25 -12.958 -6.895 -2.665 184 1HB PRO 25 HB3 PRO 25 -13.466 -8.543 -0.535 185 2HB PRO 25 HB2 PRO 25 -14.234 -6.978 -0.783 186 1HG PRO 25 HG3 PRO 25 -15.257 -9.719 -1.381 187 2HG PRO 25 HG2 PRO 25 -16.120 -8.333 -0.711 188 1HD PRO 25 HD2 PRO 25 -16.365 -9.056 -3.294 189 2HD PRO 25 HD3 PRO 25 -16.414 -7.349 -2.787 190 H LYS 26 HN LYS 26 -10.936 -7.580 -2.701 191 HA LYS 26 HA LYS 26 -10.399 -10.471 -2.786 192 1HB LYS 26 HB3 LYS 26 -8.816 -8.482 -4.389 193 2HB LYS 26 HB2 LYS 26 -8.806 -10.237 -4.518 194 1HG LYS 26 HG3 LYS 26 -11.017 -10.208 -5.491 195 2HG LYS 26 HG2 LYS 26 -11.109 -8.457 -5.275 196 1HD LYS 26 HD3 LYS 26 -9.076 -8.256 -6.713 197 2HD LYS 26 HD2 LYS 26 -9.216 -9.981 -7.052 198 1HE LYS 26 HE3 LYS 26 -11.437 -9.613 -7.998 199 2HE LYS 26 HE2 LYS 26 -11.307 -7.892 -7.644 200 1HZ LYS 26 HZ1 LYS 26 -10.756 -8.197 -9.913 201 2HZ LYS 26 HZ2 LYS 26 -9.679 -9.454 -9.566 202 3HZ LYS 26 HZ3 LYS 26 -9.296 -7.871 -9.102 203 H LEU 27 HN LEU 27 -8.434 -11.112 -1.884 204 HA LEU 27 HA LEU 27 -7.484 -9.493 0.256 205 1HB LEU 27 HB3 LEU 27 -7.620 -11.966 0.339 206 2HB LEU 27 HB2 LEU 27 -6.383 -12.070 -0.893 207 HG LEU 27 HG LEU 27 -4.774 -11.010 0.678 208 1HD1 LEU 27 HD21 LEU 27 -6.397 -11.569 3.042 209 2HD1 LEU 27 HD22 LEU 27 -5.335 -10.209 2.694 210 3HD1 LEU 27 HD23 LEU 27 -6.984 -10.203 2.075 211 1HD2 LEU 27 HD11 LEU 27 -5.379 -13.562 0.466 212 2HD2 LEU 27 HD12 LEU 27 -4.250 -12.988 1.694 213 3HD2 LEU 27 HD13 LEU 27 -5.920 -13.338 2.122 214 H ARG 28 HN ARG 28 -5.637 -8.230 0.375 215 HA ARG 28 HA ARG 28 -3.624 -8.444 -1.691 216 1HB ARG 28 HB2 ARG 28 -3.808 -5.896 -2.098 217 2HB ARG 28 HB3 ARG 28 -4.884 -6.990 -2.953 218 1HG ARG 28 HG3 ARG 28 -6.436 -6.479 -0.856 219 2HG ARG 28 HG2 ARG 28 -5.478 -4.988 -0.861 220 1HD ARG 28 HD2 ARG 28 -7.531 -4.760 -2.191 221 2HD ARG 28 HD3 ARG 28 -6.080 -4.584 -3.178 222 HE ARG 28 HE ARG 28 -8.020 -6.746 -3.290 223 1HH1 ARG 28 HH11 ARG 28 -5.781 -5.470 -5.854 224 2HH1 ARG 28 HH12 ARG 28 -4.560 -6.123 -4.806 225 1HH2 ARG 28 HH22 ARG 28 -6.716 -8.809 -4.841 226 2HH2 ARG 28 HH21 ARG 28 -7.131 -7.757 -6.169 227 H TYR 29 HN TYR 29 -1.799 -8.443 -0.645 228 HA TYR 29 HA TYR 29 -1.548 -7.126 1.914 229 1HB TYR 29 HB3 TYR 29 0.425 -8.728 0.271 230 2HB TYR 29 HB2 TYR 29 0.806 -8.016 1.834 231 HD1 TYR 29 HD1 TYR 29 1.442 -10.309 2.529 232 HD2 TYR 29 HD2 TYR 29 -2.552 -9.321 1.454 233 HE1 TYR 29 HE1 TYR 29 0.646 -12.356 3.629 234 HE2 TYR 29 HE2 TYR 29 -3.358 -11.362 2.556 235 HH TYR 29 HH TYR 29 -2.006 -12.936 4.713 236 H VAL 30 HN VAL 30 -1.106 -5.049 2.037 237 HA VAL 30 HA VAL 30 0.185 -3.732 -0.225 238 HB VAL 30 HB VAL 30 -1.092 -2.429 2.191 239 1HG1 VAL 30 HG21 VAL 30 0.052 -1.442 -0.388 240 2HG1 VAL 30 HG22 VAL 30 -1.269 -0.558 0.377 241 3HG1 VAL 30 HG23 VAL 30 0.253 -0.802 1.241 242 1HG2 VAL 30 HG11 VAL 30 -2.815 -3.655 1.084 243 2HG2 VAL 30 HG12 VAL 30 -2.974 -1.968 0.575 244 3HG2 VAL 30 HG13 VAL 30 -2.236 -3.151 -0.505 245 H PHE 31 HN PHE 31 2.251 -3.397 -0.211 246 HA PHE 31 HA PHE 31 3.655 -2.901 2.336 247 1HB PHE 31 HB3 PHE 31 4.966 -4.105 -0.114 248 2HB PHE 31 HB2 PHE 31 5.611 -4.009 1.517 249 HD1 PHE 31 HD1 PHE 31 3.526 -5.866 -0.774 250 HD2 PHE 31 HD2 PHE 31 4.804 -5.508 3.266 251 HE1 PHE 31 HE1 PHE 31 2.674 -8.120 -0.314 252 HE2 PHE 31 HE2 PHE 31 3.967 -7.773 3.739 253 HZ PHE 31 HZ PHE 31 2.893 -9.083 1.950 254 H LEU 32 HN LEU 32 4.282 -0.782 2.377 255 HA LEU 32 HA LEU 32 4.998 0.426 -0.208 256 1HB LEU 32 HB3 LEU 32 4.691 2.408 1.804 257 2HB LEU 32 HB2 LEU 32 3.804 2.243 0.334 258 HG LEU 32 HG LEU 32 2.358 0.533 1.670 259 1HD1 LEU 32 HD21 LEU 32 4.197 1.241 3.629 260 2HD1 LEU 32 HD22 LEU 32 2.707 2.094 4.053 261 3HD1 LEU 32 HD23 LEU 32 2.700 0.338 3.839 262 1HD2 LEU 32 HD11 LEU 32 1.335 2.470 0.872 263 2HD2 LEU 32 HD12 LEU 32 1.093 2.573 2.615 264 3HD2 LEU 32 HD13 LEU 32 2.366 3.526 1.833 265 H PHE 33 HN PHE 33 7.115 0.937 -0.411 266 HA PHE 33 HA PHE 33 8.648 1.229 2.061 267 1HB PHE 33 HB2 PHE 33 9.378 -0.575 -0.238 268 2HB PHE 33 HB3 PHE 33 10.542 -0.048 0.970 269 HD1 PHE 33 HD1 PHE 33 7.490 -2.005 0.406 270 HD2 PHE 33 HD2 PHE 33 10.591 -1.036 3.159 271 HE1 PHE 33 HE1 PHE 33 6.799 -3.874 1.843 272 HE2 PHE 33 HE2 PHE 33 9.895 -2.896 4.602 273 HZ PHE 33 HZ PHE 33 8.000 -4.322 3.941 274 H ARG 34 HN ARG 34 9.394 3.084 2.103 275 HA ARG 34 HA ARG 34 10.430 5.001 1.692 276 1HB ARG 34 HB3 ARG 34 12.185 3.340 0.940 277 2HB ARG 34 HB2 ARG 34 11.702 3.733 -0.709 278 1HG ARG 34 HG2 ARG 34 12.609 5.818 -0.629 279 2HG ARG 34 HG3 ARG 34 12.341 5.984 1.109 280 1HD ARG 34 HD2 ARG 34 14.144 4.310 1.479 281 2HD ARG 34 HD3 ARG 34 14.470 4.340 -0.251 282 HE ARG 34 HE ARG 34 15.717 6.196 0.121 283 1HH1 ARG 34 HH12 ARG 34 13.013 6.997 2.630 284 2HH1 ARG 34 HH11 ARG 34 14.314 6.424 3.639 285 1HH2 ARG 34 HH21 ARG 34 15.528 8.815 1.304 286 2HH2 ARG 34 HH22 ARG 34 16.573 7.877 2.334 287 H ASN 35 HN ASN 35 10.756 4.621 -1.725 288 HA ASN 35 HA ASN 35 8.823 6.802 -1.984 289 1HB ASN 35 HB3 ASN 35 11.319 6.940 -2.673 290 2HB ASN 35 HB2 ASN 35 10.805 6.045 -4.100 291 1HD2 ASN 35 HD21 ASN 35 11.292 9.026 -2.821 292 2HD2 ASN 35 HD22 ASN 35 10.472 9.949 -4.042 293 H LYS 36 HN LYS 36 7.461 4.433 -1.865 294 HA LYS 36 HA LYS 36 5.899 4.517 -4.120 295 1HB LYS 36 HB2 LYS 36 6.404 2.551 -5.384 296 2HB LYS 36 HB3 LYS 36 7.870 3.510 -5.268 297 1HG LYS 36 HG3 LYS 36 8.811 2.033 -3.660 298 2HG LYS 36 HG2 LYS 36 7.286 1.175 -3.467 299 1HD LYS 36 HD2 LYS 36 7.418 0.334 -5.734 300 2HD LYS 36 HD3 LYS 36 8.893 1.279 -6.020 301 1HE LYS 36 HE2 LYS 36 9.915 -0.012 -4.086 302 2HE LYS 36 HE3 LYS 36 8.524 -1.088 -4.205 303 1HZ LYS 36 HZ1 LYS 36 9.943 -0.554 -6.692 304 2HZ LYS 36 HZ2 LYS 36 9.277 -2.001 -6.118 305 3HZ LYS 36 HZ3 LYS 36 10.780 -1.484 -5.543 306 H ILE 37 HN ILE 37 4.293 2.805 -4.216 307 HA ILE 37 HA ILE 37 3.956 1.395 -1.634 308 HB ILE 37 HB ILE 37 1.727 2.560 -3.347 309 1HG1 ILE 37 HG12 ILE 37 2.892 3.506 -0.718 310 2HG1 ILE 37 HG13 ILE 37 2.884 4.378 -2.244 311 1HG2 ILE 37 HG21 ILE 37 0.283 1.377 -2.127 312 2HG2 ILE 37 HG22 ILE 37 1.668 0.443 -1.578 313 3HG2 ILE 37 HG23 ILE 37 1.088 1.804 -0.617 314 1HD1 ILE 37 HD11 ILE 37 0.550 3.761 -0.463 315 2HD1 ILE 37 HD12 ILE 37 1.215 5.341 -0.880 316 3HD1 ILE 37 HD13 ILE 37 0.380 4.392 -2.106 317 H MET 38 HN MET 38 3.364 -0.761 -1.850 318 HA MET 38 HA MET 38 2.749 -1.761 -4.554 319 1HB MET 38 HB2 MET 38 4.675 -2.968 -2.560 320 2HB MET 38 HB3 MET 38 4.156 -3.755 -4.042 321 1HG MET 38 HG3 MET 38 5.210 -2.047 -5.368 322 2HG MET 38 HG2 MET 38 5.602 -1.121 -3.922 323 1HE MET 38 HE1 MET 38 6.561 -3.523 -1.905 324 2HE MET 38 HE2 MET 38 8.287 -3.295 -2.169 325 3HE MET 38 HE3 MET 38 7.221 -1.899 -2.073 326 H PHE 39 HN PHE 39 1.582 -3.738 -4.593 327 HA PHE 39 HA PHE 39 0.704 -5.038 -2.244 328 1HB PHE 39 HB2 PHE 39 -1.605 -4.437 -2.150 329 2HB PHE 39 HB3 PHE 39 -0.699 -2.930 -2.139 330 HD1 PHE 39 HD1 PHE 39 -0.370 -1.794 -4.449 331 HD2 PHE 39 HD2 PHE 39 -3.350 -4.697 -3.595 332 HE1 PHE 39 HE1 PHE 39 -1.679 -1.008 -6.373 333 HE2 PHE 39 HE2 PHE 39 -4.666 -3.924 -5.524 334 HZ PHE 39 HZ PHE 39 -3.829 -2.078 -6.922 335 H THR 40 HN THR 40 0.076 -7.054 -2.781 336 HA THR 40 HA THR 40 0.071 -7.657 -5.609 337 HB THR 40 HB THR 40 -0.123 -10.067 -4.581 338 HG1 THR 40 HG1 THR 40 0.870 -10.078 -2.486 339 1HG2 THR 40 HG21 THR 40 2.490 -9.112 -3.826 340 2HG2 THR 40 HG22 THR 40 1.979 -8.460 -5.394 341 3HG2 THR 40 HG23 THR 40 2.021 -10.208 -5.116 342 H GLU 41 HN GLU 41 -1.612 -7.949 -6.778 343 HA GLU 41 HA GLU 41 -4.237 -7.753 -5.691 344 1HB GLU 41 HB2 GLU 41 -3.302 -8.314 -8.505 345 2HB GLU 41 HB3 GLU 41 -4.951 -7.908 -8.039 346 1HG GLU 41 HG2 GLU 41 -4.316 -5.723 -7.388 347 2HG GLU 41 HG3 GLU 41 -2.601 -6.110 -7.529 348 H GLN 42 HN GLN 42 -3.976 -9.732 -4.331 349 HA GLN 42 HA GLN 42 -3.959 -12.286 -5.593 350 1HB GLN 42 HB2 GLN 42 -4.785 -11.425 -2.818 351 2HB GLN 42 HB3 GLN 42 -4.748 -13.103 -3.342 352 1HG GLN 42 HG3 GLN 42 -2.334 -12.811 -3.868 353 2HG GLN 42 HG2 GLN 42 -2.424 -11.203 -3.169 354 1HE2 GLN 42 HE21 GLN 42 -1.529 -11.181 -1.274 355 2HE2 GLN 42 HE22 GLN 42 -1.467 -12.498 -0.155 356 H ASP 43 HN ASP 43 -5.721 -13.660 -6.001 357 HA ASP 43 HA ASP 43 -8.198 -12.196 -6.435 358 1HB ASP 43 HB3 ASP 43 -7.104 -13.387 -8.347 359 2HB ASP 43 HB2 ASP 43 -7.455 -14.914 -7.527 360 H ALA 44 HN ALA 44 -9.045 -12.210 -4.458 361 HA ALA 44 HA ALA 44 -10.302 -12.876 -2.730 362 1HB ALA 44 HB1 ALA 44 -11.571 -13.927 -4.689 363 2HB ALA 44 HB2 ALA 44 -10.872 -15.454 -4.157 364 3HB ALA 44 HB3 ALA 44 -11.920 -14.533 -3.069 365 H SER 45 HN SER 45 -10.564 -15.969 -2.248 366 HA SER 45 HA SER 45 -8.108 -16.096 -0.650 367 1HB SER 45 HB2 SER 45 -10.595 -16.371 0.247 368 2HB SER 45 HB3 SER 45 -10.361 -18.032 -0.291 369 HG SER 45 HG SER 45 -9.007 -16.592 1.717 370 H THR 46 HN THR 46 -8.242 -16.707 -3.530 371 HA THR 46 HA THR 46 -7.063 -19.368 -3.377 372 HB THR 46 HB THR 46 -8.230 -19.754 -5.703 373 HG1 THR 46 HG1 THR 46 -10.518 -18.832 -5.158 374 1HG2 THR 46 HG21 THR 46 -9.548 -20.098 -3.038 375 2HG2 THR 46 HG22 THR 46 -8.653 -21.287 -3.978 376 3HG2 THR 46 HG23 THR 46 -10.235 -20.725 -4.533 377 H SER 47 HN SER 47 -6.193 -19.793 -5.863 378 HA SER 47 HA SER 47 -4.935 -17.261 -6.669 379 1HB SER 47 HB3 SER 47 -3.507 -19.913 -6.391 380 2HB SER 47 HB2 SER 47 -2.786 -18.396 -6.937 381 HG SER 47 HG SER 47 -3.765 -19.070 -4.367 382 HA PRO 48 HA PRO 48 -6.410 -19.891 -10.325 383 1HB PRO 48 HB3 PRO 48 -8.493 -17.918 -10.857 384 2HB PRO 48 HB2 PRO 48 -8.633 -19.662 -10.666 385 1HG PRO 48 HG2 PRO 48 -9.583 -17.911 -8.825 386 2HG PRO 48 HG3 PRO 48 -8.974 -19.520 -8.391 387 1HD PRO 48 HD3 PRO 48 -7.605 -16.856 -8.203 388 2HD PRO 48 HD2 PRO 48 -7.623 -18.200 -7.032 389 HA PRO 49 HA PRO 49 -5.387 -16.224 -13.090 390 1HB PRO 49 HB2 PRO 49 -6.006 -13.647 -11.993 391 2HB PRO 49 HB3 PRO 49 -6.772 -14.461 -13.358 392 1HG PRO 49 HG3 PRO 49 -8.019 -13.940 -10.964 393 2HG PRO 49 HG2 PRO 49 -8.497 -15.231 -12.085 394 1HD PRO 49 HD2 PRO 49 -6.830 -15.398 -9.599 395 2HD PRO 49 HD3 PRO 49 -8.095 -16.503 -10.184 396 H SER 50 HN SER 50 -4.994 -15.234 -9.728 397 HA SER 50 HA SER 50 -3.313 -14.420 -8.483 398 1HB SER 50 HB2 SER 50 -0.979 -15.224 -9.037 399 2HB SER 50 HB3 SER 50 -2.194 -16.480 -8.821 400 HG SER 50 HG SER 50 -2.027 -15.655 -11.405 401 H TYR 51 HN TYR 51 -2.867 -12.389 -8.287 402 HA TYR 51 HA TYR 51 -2.267 -10.248 -8.710 403 1HB TYR 51 HB3 TYR 51 -0.150 -11.847 -9.638 404 2HB TYR 51 HB2 TYR 51 -0.443 -10.690 -10.937 405 HD1 TYR 51 HD1 TYR 51 -1.284 -8.332 -9.283 406 HD2 TYR 51 HD2 TYR 51 1.907 -11.105 -8.810 407 HE1 TYR 51 HE1 TYR 51 0.032 -6.613 -8.119 408 HE2 TYR 51 HE2 TYR 51 3.226 -9.396 -7.640 409 HH TYR 51 HH TYR 51 3.383 -7.220 -7.149 410 H THR 52 HN THR 52 -4.464 -10.098 -9.553 411 HA THR 52 HA THR 52 -5.559 -10.474 -11.919 412 HB THR 52 HB THR 52 -5.841 -7.736 -10.728 413 HG1 THR 52 HG1 THR 52 -6.766 -8.544 -8.985 414 1HG2 THR 52 HG21 THR 52 -8.316 -8.642 -11.017 415 2HG2 THR 52 HG22 THR 52 -7.538 -9.601 -12.272 416 3HG2 THR 52 HG23 THR 52 -7.451 -7.834 -12.314 417 H HIS 53 HN HIS 53 -3.829 -7.338 -11.438 418 HA HIS 53 HA HIS 53 -3.481 -7.310 -14.377 419 1HB HIS 53 HB2 HIS 53 -3.321 -4.862 -12.635 420 2HB HIS 53 HB3 HIS 53 -3.606 -4.955 -14.370 421 HD1 HIS 53 HD1 HIS 53 -5.336 -5.279 -11.056 422 HD2 HIS 53 HD2 HIS 53 -6.279 -5.246 -15.117 423 HE1 HIS 53 HE1 HIS 53 -7.844 -5.115 -11.177 424 HE2 HIS 53 HE2 HIS 53 -8.396 -5.024 -13.634 425 H TYR 54 HN TYR 54 -1.819 -7.657 -11.495 426 HA TYR 54 HA TYR 54 0.380 -7.619 -10.888 427 1HB TYR 54 HB3 TYR 54 0.558 -8.806 -13.224 428 2HB TYR 54 HB2 TYR 54 1.196 -7.256 -13.775 429 HD1 TYR 54 HD1 TYR 54 2.970 -6.339 -11.756 430 HD2 TYR 54 HD2 TYR 54 2.251 -10.352 -12.974 431 HE1 TYR 54 HE1 TYR 54 5.191 -6.981 -10.927 432 HE2 TYR 54 HE2 TYR 54 4.476 -11.002 -12.150 433 HH TYR 54 HH TYR 54 6.225 -10.356 -10.856 434 H SER 55 HN SER 55 -0.622 -5.541 -10.184 435 HA SER 55 HA SER 55 0.404 -3.215 -11.614 436 1HB SER 55 HB2 SER 55 -1.573 -3.310 -9.340 437 2HB SER 55 HB3 SER 55 -1.260 -1.954 -10.428 438 HG SER 55 HG SER 55 -2.910 -4.071 -10.761 439 H SER 56 HN SER 56 1.200 -1.406 -10.484 440 HA SER 56 HA SER 56 2.412 -1.863 -7.870 441 1HB SER 56 HB3 SER 56 3.988 -0.969 -10.305 442 2HB SER 56 HB2 SER 56 4.613 -1.118 -8.666 443 HG SER 56 HG SER 56 3.396 -3.400 -9.455 444 H ILE 57 HN ILE 57 2.719 0.155 -6.738 445 HA ILE 57 HA ILE 57 1.352 2.353 -8.125 446 HB ILE 57 HB ILE 57 1.509 1.763 -5.175 447 1HG1 ILE 57 HG13 ILE 57 -0.629 1.583 -7.287 448 2HG1 ILE 57 HG12 ILE 57 -0.037 0.305 -6.228 449 1HG2 ILE 57 HG21 ILE 57 1.164 3.961 -4.871 450 2HG2 ILE 57 HG22 ILE 57 0.898 4.233 -6.590 451 3HG2 ILE 57 HG23 ILE 57 -0.438 3.686 -5.568 452 1HD1 ILE 57 HD11 ILE 57 -1.018 2.324 -4.554 453 2HD1 ILE 57 HD12 ILE 57 -2.205 2.114 -5.861 454 3HD1 ILE 57 HD13 ILE 57 -1.727 0.731 -4.874 455 H ARG 58 HN ARG 58 2.003 4.453 -7.913 456 HA ARG 58 HA ARG 58 4.658 4.954 -6.798 457 1HB ARG 58 HB2 ARG 58 5.493 6.055 -8.697 458 2HB ARG 58 HB3 ARG 58 4.732 4.604 -9.330 459 1HG ARG 58 HG3 ARG 58 2.950 6.893 -9.233 460 2HG ARG 58 HG2 ARG 58 4.350 7.103 -10.287 461 1HD ARG 58 HD2 ARG 58 2.355 4.849 -10.364 462 2HD ARG 58 HD3 ARG 58 2.505 6.161 -11.531 463 HE ARG 58 HE ARG 58 3.946 3.747 -11.570 464 1HH1 ARG 58 HH11 ARG 58 5.648 6.996 -11.607 465 2HH1 ARG 58 HH12 ARG 58 5.041 7.111 -13.245 466 1HH2 ARG 58 HH22 ARG 58 6.404 3.851 -12.627 467 2HH2 ARG 58 HH21 ARG 58 5.625 4.354 -14.105 468 H LEU 59 HN LEU 59 5.016 7.081 -6.178 469 HA LEU 59 HA LEU 59 2.637 8.428 -5.296 470 1HB LEU 59 HB2 LEU 59 5.542 8.556 -4.804 471 2HB LEU 59 HB3 LEU 59 4.675 10.060 -4.572 472 HG LEU 59 HG LEU 59 3.168 8.856 -2.964 473 1HD1 LEU 59 HD11 LEU 59 5.011 6.604 -3.634 474 2HD1 LEU 59 HD12 LEU 59 4.286 6.717 -2.026 475 3HD1 LEU 59 HD13 LEU 59 3.258 6.602 -3.440 476 1HD2 LEU 59 HD21 LEU 59 5.290 10.156 -2.374 477 2HD2 LEU 59 HD22 LEU 59 4.603 9.081 -1.157 478 3HD2 LEU 59 HD23 LEU 59 6.013 8.574 -2.089 479 H ASP 60 HN ASP 60 4.651 8.592 -8.014 480 HA ASP 60 HA ASP 60 4.962 11.108 -8.825 481 1HB ASP 60 HB2 ASP 60 4.026 8.773 -10.467 482 2HB ASP 60 HB3 ASP 60 4.397 10.337 -11.189 483 H LYS 61 HN LYS 61 1.935 9.471 -9.938 484 HA LYS 61 HA LYS 61 0.603 12.065 -9.523 485 1HB LYS 61 HB3 LYS 61 0.579 10.495 -12.095 486 2HB LYS 61 HB2 LYS 61 -0.471 11.860 -11.756 487 1HG LYS 61 HG3 LYS 61 1.625 13.234 -11.436 488 2HG LYS 61 HG2 LYS 61 2.508 11.862 -12.107 489 1HD LYS 61 HD2 LYS 61 0.285 13.389 -13.449 490 2HD LYS 61 HD3 LYS 61 2.000 13.471 -13.853 491 1HE LYS 61 HE3 LYS 61 2.000 11.188 -14.582 492 2HE LYS 61 HE2 LYS 61 0.359 10.952 -13.995 493 1HZ LYS 61 HZ1 LYS 61 -0.527 12.210 -15.694 494 2HZ LYS 61 HZ2 LYS 61 0.739 11.413 -16.483 495 3HZ LYS 61 HZ3 LYS 61 0.914 13.025 -16.006 496 H TYR 62 HN TYR 62 0.198 9.697 -7.941 497 HA TYR 62 HA TYR 62 -2.409 8.762 -8.896 498 1HB TYR 62 HB3 TYR 62 -2.286 6.974 -7.381 499 2HB TYR 62 HB2 TYR 62 -0.627 7.151 -7.934 500 HD1 TYR 62 HD1 TYR 62 0.839 8.770 -6.368 501 HD2 TYR 62 HD2 TYR 62 -2.630 6.641 -5.142 502 HE1 TYR 62 HE1 TYR 62 1.596 8.886 -4.031 503 HE2 TYR 62 HE2 TYR 62 -1.891 6.756 -2.795 504 HH TYR 62 HH TYR 62 -0.152 8.551 -1.494 505 H ASN 63 HN ASN 63 -4.290 9.392 -7.940 506 HA ASN 63 HA ASN 63 -4.109 11.520 -5.935 507 1HB ASN 63 HB3 ASN 63 -5.493 11.862 -7.987 508 2HB ASN 63 HB2 ASN 63 -6.528 10.545 -7.463 509 1HD2 ASN 63 HD21 ASN 63 -6.241 13.804 -7.524 510 2HD2 ASN 63 HD22 ASN 63 -6.972 14.255 -6.043 511 H ILE 64 HN ILE 64 -3.923 10.678 -4.000 512 HA ILE 64 HA ILE 64 -5.640 8.408 -3.279 513 HB ILE 64 HB ILE 64 -3.153 8.185 -3.059 514 1HG1 ILE 64 HG13 ILE 64 -4.924 6.905 -1.661 515 2HG1 ILE 64 HG12 ILE 64 -3.234 6.840 -1.193 516 1HG2 ILE 64 HG21 ILE 64 -1.889 9.353 -1.575 517 2HG2 ILE 64 HG22 ILE 64 -3.022 10.598 -2.093 518 3HG2 ILE 64 HG23 ILE 64 -3.267 9.774 -0.558 519 1HD1 ILE 64 HD11 ILE 64 -4.940 8.905 0.051 520 2HD1 ILE 64 HD12 ILE 64 -5.095 7.231 0.577 521 3HD1 ILE 64 HD13 ILE 64 -3.539 8.046 0.683 522 H ARG 65 HN ARG 65 -7.076 8.509 -1.661 523 HA ARG 65 HA ARG 65 -7.233 10.931 -0.008 524 1HB ARG 65 HB2 ARG 65 -9.741 9.768 -1.103 525 2HB ARG 65 HB3 ARG 65 -9.437 11.399 -0.535 526 1HG ARG 65 HG3 ARG 65 -8.245 11.942 -2.548 527 2HG ARG 65 HG2 ARG 65 -8.371 10.277 -3.115 528 1HD ARG 65 HD3 ARG 65 -10.802 10.474 -3.191 529 2HD ARG 65 HD2 ARG 65 -10.691 12.126 -2.583 530 HE ARG 65 HE ARG 65 -9.160 11.957 -4.919 531 1HH1 ARG 65 HH12 ARG 65 -12.679 12.756 -4.132 532 2HH1 ARG 65 HH11 ARG 65 -12.914 11.324 -5.112 533 1HH2 ARG 65 HH21 ARG 65 -10.764 13.713 -6.639 534 2HH2 ARG 65 HH22 ARG 65 -10.708 12.096 -7.290 535 H GLN 66 HN GLN 66 -8.929 10.558 1.769 536 HA GLN 66 HA GLN 66 -9.293 7.748 2.436 537 1HB GLN 66 HB3 GLN 66 -8.475 8.152 4.774 538 2HB GLN 66 HB2 GLN 66 -7.211 8.198 3.555 539 1HG GLN 66 HG2 GLN 66 -7.374 10.683 3.575 540 2HG GLN 66 HG3 GLN 66 -8.493 10.544 4.932 541 1HE2 GLN 66 HE21 GLN 66 -6.035 8.192 4.807 542 2HE2 GLN 66 HE22 GLN 66 -4.938 8.909 5.928 543 H HIS 67 HN HIS 67 -11.344 7.445 3.116 544 HA HIS 67 HA HIS 67 -12.789 9.778 4.188 545 1HB HIS 67 HB3 HIS 67 -13.815 7.574 2.392 546 2HB HIS 67 HB2 HIS 67 -14.826 8.799 3.141 547 HD1 HIS 67 HD1 HIS 67 -14.024 11.393 2.379 548 HD2 HIS 67 HD2 HIS 67 -13.097 8.193 -0.098 549 HE1 HIS 67 HE1 HIS 67 -13.616 12.392 0.102 550 HE2 HIS 67 HE2 HIS 67 -13.363 10.398 -1.426 551 H THR 68 HN THR 68 -13.850 9.432 6.094 552 HA THR 68 HA THR 68 -13.611 6.776 7.257 553 HB THR 68 HB THR 68 -14.561 9.332 8.569 554 HG1 THR 68 HG1 THR 68 -11.971 8.137 8.587 555 1HG2 THR 68 HG21 THR 68 -15.070 7.967 10.257 556 2HG2 THR 68 HG22 THR 68 -13.332 7.798 10.476 557 3HG2 THR 68 HG23 THR 68 -14.226 6.601 9.521 558 H THR 69 HN THR 69 -15.236 6.179 5.518 559 HA THR 69 HA THR 69 -17.996 6.762 6.219 560 HB THR 69 HB THR 69 -18.338 5.236 4.124 561 HG1 THR 69 HG1 THR 69 -16.521 4.441 3.442 562 1HG2 THR 69 HG21 THR 69 -18.738 7.622 4.001 563 2HG2 THR 69 HG22 THR 69 -17.905 7.048 2.551 564 3HG2 THR 69 HG23 THR 69 -17.009 7.915 3.801 565 H ASP 70 HN ASP 70 -17.939 5.652 8.206 566 HA ASP 70 HA ASP 70 -18.539 3.877 9.553 567 1HB ASP 70 HB3 ASP 70 -18.271 2.187 7.055 568 2HB ASP 70 HB2 ASP 70 -18.776 1.572 8.629 569 H GLU 71 HN GLU 71 -16.178 2.825 7.141 570 HA GLU 71 HA GLU 71 -14.196 2.469 9.290 571 1HB GLU 71 HB2 GLU 71 -14.379 0.798 6.763 572 2HB GLU 71 HB3 GLU 71 -13.113 0.686 7.976 573 1HG GLU 71 HG2 GLU 71 -14.434 -1.128 8.449 574 2HG GLU 71 HG3 GLU 71 -15.023 0.079 9.591 575 H ASP 72 HN ASP 72 -12.103 3.196 8.715 576 HA ASP 72 HA ASP 72 -12.035 5.381 6.942 577 1HB ASP 72 HB2 ASP 72 -9.846 3.823 8.307 578 2HB ASP 72 HB3 ASP 72 -9.515 5.211 7.274 579 H THR 73 HN THR 73 -11.992 5.372 4.864 580 HA THR 73 HA THR 73 -10.976 3.009 3.448 581 HB THR 73 HB THR 73 -12.954 5.098 2.541 582 HG1 THR 73 HG1 THR 73 -13.723 3.898 4.316 583 1HG2 THR 73 HG21 THR 73 -11.939 2.605 1.303 584 2HG2 THR 73 HG22 THR 73 -12.403 4.130 0.567 585 3HG2 THR 73 HG23 THR 73 -13.641 3.004 1.108 586 H ILE 74 HN ILE 74 -9.035 3.350 2.631 587 HA ILE 74 HA ILE 74 -8.322 6.031 1.699 588 HB ILE 74 HB ILE 74 -6.659 3.599 2.358 589 1HG1 ILE 74 HG13 ILE 74 -5.407 5.289 3.738 590 2HG1 ILE 74 HG12 ILE 74 -6.668 6.450 3.352 591 1HG2 ILE 74 HG21 ILE 74 -5.848 5.995 0.751 592 2HG2 ILE 74 HG22 ILE 74 -4.678 5.069 1.704 593 3HG2 ILE 74 HG23 ILE 74 -5.583 4.286 0.401 594 1HD1 ILE 74 HD11 ILE 74 -8.264 4.710 4.363 595 2HD1 ILE 74 HD12 ILE 74 -6.802 4.015 5.063 596 3HD1 ILE 74 HD13 ILE 74 -7.252 5.677 5.438 597 H VAL 75 HN VAL 75 -8.935 6.367 -0.286 598 HA VAL 75 HA VAL 75 -9.001 4.167 -2.202 599 HB VAL 75 HB VAL 75 -10.340 5.661 -3.603 600 1HG1 VAL 75 HG11 VAL 75 -11.110 5.002 -0.817 601 2HG1 VAL 75 HG12 VAL 75 -12.211 6.021 -1.754 602 3HG1 VAL 75 HG13 VAL 75 -11.775 4.416 -2.346 603 1HG2 VAL 75 HG21 VAL 75 -11.020 7.838 -2.915 604 2HG2 VAL 75 HG22 VAL 75 -10.244 7.641 -1.340 605 3HG2 VAL 75 HG23 VAL 75 -9.251 7.768 -2.789 606 H LEU 76 HN LEU 76 -8.041 4.366 -4.248 607 HA LEU 76 HA LEU 76 -6.048 6.503 -4.448 608 1HB LEU 76 HB2 LEU 76 -5.576 3.543 -4.827 609 2HB LEU 76 HB3 LEU 76 -4.427 4.783 -5.313 610 HG LEU 76 HG LEU 76 -4.663 5.481 -2.759 611 1HD1 LEU 76 HD11 LEU 76 -4.611 2.964 -1.714 612 2HD1 LEU 76 HD12 LEU 76 -5.983 4.058 -1.648 613 3HD1 LEU 76 HD13 LEU 76 -5.895 2.836 -2.914 614 1HD2 LEU 76 HD21 LEU 76 -2.513 5.038 -3.110 615 2HD2 LEU 76 HD22 LEU 76 -2.870 3.395 -2.550 616 3HD2 LEU 76 HD23 LEU 76 -2.889 3.758 -4.279 617 H GLN 77 HN GLN 77 -6.437 7.615 -6.222 618 HA GLN 77 HA GLN 77 -7.676 6.339 -8.528 619 1HB GLN 77 HB3 GLN 77 -7.078 9.211 -7.822 620 2HB GLN 77 HB2 GLN 77 -7.708 8.716 -9.388 621 1HG GLN 77 HG2 GLN 77 -9.642 7.679 -8.142 622 2HG GLN 77 HG3 GLN 77 -9.045 8.513 -6.711 623 1HE2 GLN 77 HE21 GLN 77 -11.056 8.705 -9.336 624 2HE2 GLN 77 HE22 GLN 77 -11.259 10.425 -9.436 625 HA PRO 78 HA PRO 78 -3.573 5.833 -10.166 626 1HB PRO 78 HB2 PRO 78 -4.281 4.644 -12.459 627 2HB PRO 78 HB3 PRO 78 -4.414 3.831 -10.890 628 1HG PRO 78 HG3 PRO 78 -6.541 5.265 -12.468 629 2HG PRO 78 HG2 PRO 78 -6.609 3.629 -11.686 630 1HD PRO 78 HD2 PRO 78 -7.652 5.834 -10.516 631 2HD PRO 78 HD3 PRO 78 -6.891 4.537 -9.587 632 H GLN 79 HN GLN 79 -2.260 6.413 -11.798 633 HA GLN 79 HA GLN 79 -3.087 8.731 -13.398 634 1HB GLN 79 HB3 GLN 79 -0.710 9.143 -13.686 635 2HB GLN 79 HB2 GLN 79 -1.029 8.895 -11.969 636 1HG GLN 79 HG3 GLN 79 -0.258 6.588 -12.160 637 2HG GLN 79 HG2 GLN 79 0.054 6.833 -13.876 638 1HE2 GLN 79 HE21 GLN 79 2.028 7.345 -14.405 639 2HE2 GLN 79 HE22 GLN 79 3.157 8.208 -13.438 640 H GLU 80 HN GLU 80 -3.422 5.722 -13.565 641 HA GLU 80 HA GLU 80 -3.482 4.019 -14.900 642 1HB GLU 80 HB2 GLU 80 -4.446 4.369 -17.012 643 2HB GLU 80 HB3 GLU 80 -5.133 5.491 -15.857 644 1HG GLU 80 HG2 GLU 80 -3.976 7.331 -16.786 645 2HG GLU 80 HG3 GLU 80 -2.976 6.281 -17.790 646 HA PRO 81 HA PRO 81 0.696 3.962 -16.884 647 1HB PRO 81 HB3 PRO 81 2.289 3.293 -14.871 648 2HB PRO 81 HB2 PRO 81 1.764 4.969 -15.011 649 1HG PRO 81 HG2 PRO 81 0.802 2.818 -13.170 650 2HG PRO 81 HG3 PRO 81 1.014 4.554 -12.857 651 1HD PRO 81 HD2 PRO 81 -1.394 3.250 -13.526 652 2HD PRO 81 HD3 PRO 81 -1.112 5.002 -13.500 653 H GLY 82 HN GLY 82 -1.627 2.222 -16.374 654 1HA GLY 82 HA1 GLY 82 -1.944 -0.062 -16.957 655 2HA GLY 82 HA2 GLY 82 -0.284 -0.386 -16.458 656 H LEU 83 HN LEU 83 -2.243 1.668 -14.584 657 HA LEU 83 HA LEU 83 -2.460 -0.333 -12.446 658 1HB LEU 83 HB3 LEU 83 -0.915 1.480 -11.958 659 2HB LEU 83 HB2 LEU 83 -2.132 2.665 -12.382 660 HG LEU 83 HG LEU 83 -3.458 1.681 -10.379 661 1HD1 LEU 83 HD11 LEU 83 -0.721 0.999 -9.388 662 2HD1 LEU 83 HD12 LEU 83 -2.303 0.522 -8.746 663 3HD1 LEU 83 HD13 LEU 83 -1.696 -0.207 -10.235 664 1HD2 LEU 83 HD21 LEU 83 -2.719 3.465 -9.146 665 2HD2 LEU 83 HD22 LEU 83 -1.014 3.163 -9.530 666 3HD2 LEU 83 HD23 LEU 83 -2.070 3.898 -10.744 667 HA PRO 84 HA PRO 84 -6.826 0.530 -12.739 668 1HB PRO 84 HB2 PRO 84 -7.651 -1.296 -10.981 669 2HB PRO 84 HB3 PRO 84 -6.876 -1.788 -12.491 670 1HG PRO 84 HG3 PRO 84 -5.772 -1.730 -9.724 671 2HG PRO 84 HG2 PRO 84 -5.433 -2.863 -11.053 672 1HD PRO 84 HD3 PRO 84 -3.880 -0.629 -10.283 673 2HD PRO 84 HD2 PRO 84 -3.680 -1.618 -11.742 674 H SER 85 HN SER 85 -8.672 0.813 -11.017 675 HA SER 85 HA SER 85 -7.685 2.651 -8.932 676 1HB SER 85 HB2 SER 85 -10.534 2.458 -9.932 677 2HB SER 85 HB3 SER 85 -9.783 3.771 -9.028 678 HG SER 85 HG SER 85 -9.519 3.100 -11.742 679 H PHE 86 HN PHE 86 -7.552 1.555 -6.974 680 HA PHE 86 HA PHE 86 -9.788 -0.247 -6.381 681 1HB PHE 86 HB2 PHE 86 -8.376 -1.794 -5.339 682 2HB PHE 86 HB3 PHE 86 -7.512 -1.342 -6.806 683 HD1 PHE 86 HD1 PHE 86 -5.889 0.862 -6.332 684 HD2 PHE 86 HD2 PHE 86 -7.089 -2.108 -3.518 685 HE1 PHE 86 HE1 PHE 86 -3.903 1.344 -4.972 686 HE2 PHE 86 HE2 PHE 86 -5.097 -1.621 -2.159 687 HZ PHE 86 HZ PHE 86 -3.502 0.101 -2.888 688 H ARG 87 HN ARG 87 -9.709 -0.743 -3.860 689 HA ARG 87 HA ARG 87 -9.336 1.784 -2.393 690 1HB ARG 87 HB2 ARG 87 -11.832 0.070 -2.338 691 2HB ARG 87 HB3 ARG 87 -11.554 1.487 -1.341 692 1HG ARG 87 HG3 ARG 87 -12.890 2.350 -2.977 693 2HG ARG 87 HG2 ARG 87 -11.295 2.682 -3.660 694 1HD ARG 87 HD2 ARG 87 -11.506 0.458 -4.858 695 2HD ARG 87 HD3 ARG 87 -13.201 0.465 -4.374 696 HE ARG 87 HE ARG 87 -12.112 1.819 -6.559 697 1HH1 ARG 87 HH12 ARG 87 -14.410 2.884 -3.899 698 2HH1 ARG 87 HH11 ARG 87 -15.595 2.708 -5.168 699 1HH2 ARG 87 HH22 ARG 87 -13.782 3.072 -7.790 700 2HH2 ARG 87 HH21 ARG 87 -13.830 4.530 -6.845 701 H ILE 88 HN ILE 88 -8.805 1.491 -0.184 702 HA ILE 88 HA ILE 88 -8.724 -1.316 0.683 703 HB ILE 88 HB ILE 88 -6.745 -0.593 2.172 704 1HG1 ILE 88 HG13 ILE 88 -6.445 1.406 -0.079 705 2HG1 ILE 88 HG12 ILE 88 -6.886 1.814 1.577 706 1HG2 ILE 88 HG21 ILE 88 -5.247 -1.506 0.607 707 2HG2 ILE 88 HG22 ILE 88 -6.824 -2.221 0.243 708 3HG2 ILE 88 HG23 ILE 88 -6.187 -0.912 -0.762 709 1HD1 ILE 88 HD11 ILE 88 -4.702 0.785 2.283 710 2HD1 ILE 88 HD12 ILE 88 -4.273 0.738 0.574 711 3HD1 ILE 88 HD13 ILE 88 -4.598 2.280 1.366 712 H LYS 89 HN LYS 89 -9.759 -1.794 2.432 713 HA LYS 89 HA LYS 89 -10.255 0.256 4.481 714 1HB LYS 89 HB2 LYS 89 -12.301 -1.752 3.489 715 2HB LYS 89 HB3 LYS 89 -12.521 -0.645 4.839 716 1HG LYS 89 HG3 LYS 89 -12.250 1.238 3.208 717 2HG LYS 89 HG2 LYS 89 -12.320 0.032 1.922 718 1HD LYS 89 HD2 LYS 89 -14.512 1.015 2.258 719 2HD LYS 89 HD3 LYS 89 -14.535 -0.684 2.736 720 1HE LYS 89 HE3 LYS 89 -14.453 -0.105 5.054 721 2HE LYS 89 HE2 LYS 89 -14.172 1.597 4.671 722 1HZ LYS 89 HZ1 LYS 89 -16.573 0.465 3.516 723 2HZ LYS 89 HZ2 LYS 89 -16.338 1.953 4.288 724 3HZ LYS 89 HZ3 LYS 89 -16.570 0.551 5.225 725 HA PRO 90 HA PRO 90 -8.651 -3.222 6.875 726 1HB PRO 90 HB3 PRO 90 -8.958 -1.386 9.146 727 2HB PRO 90 HB2 PRO 90 -7.479 -2.091 8.489 728 1HG PRO 90 HG2 PRO 90 -7.998 0.521 8.227 729 2HG PRO 90 HG3 PRO 90 -7.206 -0.390 6.929 730 1HD PRO 90 HD3 PRO 90 -10.109 0.371 7.195 731 2HD PRO 90 HD2 PRO 90 -9.029 0.556 5.793 732 H LYS 91 HN LYS 91 -11.051 -3.720 6.218 733 HA LYS 91 HA LYS 91 -12.779 -3.730 8.593 734 1HB LYS 91 HB2 LYS 91 -13.576 -2.514 6.587 735 2HB LYS 91 HB3 LYS 91 -13.497 -4.003 5.664 736 1HG LYS 91 HG2 LYS 91 -15.196 -3.850 8.111 737 2HG LYS 91 HG3 LYS 91 -15.760 -3.157 6.594 738 1HD LYS 91 HD2 LYS 91 -15.292 -5.415 5.541 739 2HD LYS 91 HD3 LYS 91 -15.070 -6.033 7.175 740 1HE LYS 91 HE3 LYS 91 -17.358 -5.223 7.730 741 2HE LYS 91 HE2 LYS 91 -17.565 -4.776 6.042 742 1HZ LYS 91 HZ1 LYS 91 -17.324 -7.066 5.402 743 2HZ LYS 91 HZ2 LYS 91 -18.536 -6.950 6.578 744 3HZ LYS 91 HZ3 LYS 91 -16.997 -7.526 7.000 745 H ASP 92 HN ASP 92 -12.279 -5.792 5.691 746 HA ASP 92 HA ASP 92 -13.183 -8.113 7.151 747 1HB ASP 92 HB3 ASP 92 -13.554 -7.542 4.632 748 2HB ASP 92 HB2 ASP 92 -11.957 -8.247 4.420 749 H PHE 93 HN PHE 93 -11.034 -7.276 8.481 750 HA PHE 93 HA PHE 93 -9.356 -9.535 8.496 751 1HB PHE 93 HB2 PHE 93 -8.472 -8.212 6.480 752 2HB PHE 93 HB3 PHE 93 -7.891 -7.031 7.649 753 HD1 PHE 93 HD1 PHE 93 -6.218 -7.779 9.384 754 HD2 PHE 93 HD2 PHE 93 -7.294 -10.158 6.030 755 HE1 PHE 93 HE1 PHE 93 -4.173 -9.116 9.684 756 HE2 PHE 93 HE2 PHE 93 -5.256 -11.502 6.316 757 HZ PHE 93 HZ PHE 93 -3.688 -10.982 8.146 758 H GLU 94 HN GLU 94 -9.248 -9.767 10.592 759 HA GLU 94 HA GLU 94 -9.476 -7.593 12.424 760 1HB GLU 94 HB2 GLU 94 -9.127 -9.380 14.142 761 2HB GLU 94 HB3 GLU 94 -10.450 -9.689 13.026 762 1HG GLU 94 HG3 GLU 94 -8.930 -11.147 11.715 763 2HG GLU 94 HG2 GLU 94 -7.702 -10.916 12.960 764 H THR 95 HN THR 95 -7.994 -7.147 14.134 765 HA THR 95 HA THR 95 -6.007 -6.640 15.065 766 HB THR 95 HB THR 95 -4.537 -8.361 13.063 767 HG1 THR 95 HG1 THR 95 -5.781 -9.173 15.491 768 1HG2 THR 95 HG21 THR 95 -3.457 -8.727 15.575 769 2HG2 THR 95 HG22 THR 95 -3.819 -7.001 15.521 770 3HG2 THR 95 HG23 THR 95 -2.791 -7.714 14.289 771 H SER 96 HN SER 96 -7.124 -5.826 12.230 772 HA SER 96 HA SER 96 -4.881 -4.048 11.588 773 1HB SER 96 HB3 SER 96 -7.117 -5.110 9.859 774 2HB SER 96 HB2 SER 96 -6.117 -3.744 9.365 775 HG SER 96 HG SER 96 -4.582 -5.085 8.873 776 H GLU 97 HN GLU 97 -7.465 -4.007 13.458 777 HA GLU 97 HA GLU 97 -8.872 -1.647 12.690 778 1HB GLU 97 HB2 GLU 97 -8.525 -2.765 15.486 779 2HB GLU 97 HB3 GLU 97 -9.719 -1.582 14.987 780 1HG GLU 97 HG2 GLU 97 -10.977 -3.481 15.066 781 2HG GLU 97 HG3 GLU 97 -10.515 -3.442 13.367 782 H TYR 98 HN TYR 98 -6.389 -2.304 15.109 783 HA TYR 98 HA TYR 98 -5.876 0.359 15.853 784 1HB TYR 98 HB3 TYR 98 -5.112 -1.598 17.159 785 2HB TYR 98 HB2 TYR 98 -3.982 -2.003 15.869 786 HD1 TYR 98 HD1 TYR 98 -4.858 0.961 17.979 787 HD2 TYR 98 HD2 TYR 98 -1.802 -1.378 16.166 788 HE1 TYR 98 HE1 TYR 98 -3.151 2.417 18.986 789 HE2 TYR 98 HE2 TYR 98 -0.091 0.067 17.173 790 HH TYR 98 HH TYR 98 0.133 2.317 18.043 791 H VAL 99 HN VAL 99 -4.277 -1.771 13.501 792 HA VAL 99 HA VAL 99 -2.307 -0.017 12.633 793 HB VAL 99 HB VAL 99 -3.676 -2.066 10.890 794 1HG1 VAL 99 HG21 VAL 99 -0.770 -1.844 10.833 795 2HG1 VAL 99 HG22 VAL 99 -1.934 -1.854 9.509 796 3HG1 VAL 99 HG23 VAL 99 -1.596 -0.356 10.369 797 1HG2 VAL 99 HG11 VAL 99 -3.279 -3.422 12.682 798 2HG2 VAL 99 HG12 VAL 99 -1.697 -3.506 11.906 799 3HG2 VAL 99 HG13 VAL 99 -1.947 -2.432 13.281 800 H ARG 100 HN ARG 100 -5.689 -0.222 11.836 801 HA ARG 100 HA ARG 100 -5.746 1.225 9.432 802 1HB ARG 100 HB3 ARG 100 -7.723 0.106 10.044 803 2HB ARG 100 HB2 ARG 100 -7.735 0.822 11.650 804 1HG ARG 100 HG2 ARG 100 -8.191 3.020 10.601 805 2HG ARG 100 HG3 ARG 100 -8.327 2.205 9.047 806 1HD ARG 100 HD3 ARG 100 -10.506 2.653 10.247 807 2HD ARG 100 HD2 ARG 100 -10.232 0.990 9.724 808 HE ARG 100 HE ARG 100 -9.312 1.068 12.299 809 1HH1 ARG 100 HH12 ARG 100 -12.305 2.769 11.624 810 2HH1 ARG 100 HH11 ARG 100 -13.255 1.314 11.784 811 1HH2 ARG 100 HH22 ARG 100 -11.195 1.256 14.350 812 2HH2 ARG 100 HH21 ARG 100 -11.876 -0.215 13.718 813 H LYS 101 HN LYS 101 -5.757 2.236 12.791 814 HA LYS 101 HA LYS 101 -6.202 4.983 12.336 815 1HB LYS 101 HB3 LYS 101 -4.806 3.564 14.607 816 2HB LYS 101 HB2 LYS 101 -5.238 5.272 14.616 817 1HG LYS 101 HG2 LYS 101 -7.597 4.667 14.381 818 2HG LYS 101 HG3 LYS 101 -7.151 2.960 14.417 819 1HD LYS 101 HD2 LYS 101 -6.205 3.275 16.666 820 2HD LYS 101 HD3 LYS 101 -6.712 4.966 16.624 821 1HE LYS 101 HE2 LYS 101 -9.033 4.294 16.437 822 2HE LYS 101 HE3 LYS 101 -8.561 2.596 16.396 823 1HZ LYS 101 HZ1 LYS 101 -7.429 3.246 18.659 824 2HZ LYS 101 HZ2 LYS 101 -9.080 2.833 18.584 825 3HZ LYS 101 HZ3 LYS 101 -8.612 4.466 18.650 826 H ALA 102 HN ALA 102 -3.283 3.031 12.454 827 HA ALA 102 HA ALA 102 -1.436 5.178 12.364 828 1HB ALA 102 HB1 ALA 102 -1.123 2.318 11.452 829 2HB ALA 102 HB2 ALA 102 0.193 3.483 11.616 830 3HB ALA 102 HB3 ALA 102 -0.703 2.969 13.036 831 H TRP 103 HN TRP 103 -1.995 2.826 9.800 832 HA TRP 103 HA TRP 103 -0.946 4.061 7.674 833 1HB TRP 103 HB3 TRP 103 -3.417 2.356 7.788 834 2HB TRP 103 HB2 TRP 103 -2.790 2.954 6.266 835 HD1 TRP 103 HD1 TRP 103 -1.325 1.033 9.313 836 HE1 TRP 103 HE1 TRP 103 0.316 -0.738 8.414 837 HE3 TRP 103 HE3 TRP 103 -1.685 2.021 4.312 838 HZ2 TRP 103 HZ2 TRP 103 1.317 -1.581 5.923 839 HZ3 TRP 103 HZ3 TRP 103 -0.319 0.681 2.762 840 HH2 TRP 103 HH2 TRP 103 1.131 -1.077 3.557 841 H LEU 104 HN LEU 104 -4.182 4.797 8.940 842 HA LEU 104 HA LEU 104 -5.074 6.510 6.956 843 1HB LEU 104 HB2 LEU 104 -6.223 5.649 9.072 844 2HB LEU 104 HB3 LEU 104 -5.423 6.973 9.887 845 HG LEU 104 HG LEU 104 -6.573 8.527 8.267 846 1HD1 LEU 104 HD11 LEU 104 -7.431 7.475 6.501 847 2HD1 LEU 104 HD12 LEU 104 -7.439 5.917 7.337 848 3HD1 LEU 104 HD13 LEU 104 -8.770 7.051 7.569 849 1HD2 LEU 104 HD21 LEU 104 -8.860 7.391 9.548 850 2HD2 LEU 104 HD22 LEU 104 -7.474 7.263 10.624 851 3HD2 LEU 104 HD23 LEU 104 -7.951 8.840 9.981 852 H ARG 105 HN ARG 105 -3.593 7.363 9.991 853 HA ARG 105 HA ARG 105 -3.076 10.068 9.332 854 1HB ARG 105 HB3 ARG 105 -3.249 9.398 11.646 855 2HB ARG 105 HB2 ARG 105 -1.853 8.339 11.484 856 1HG ARG 105 HG3 ARG 105 -0.586 10.476 10.815 857 2HG ARG 105 HG2 ARG 105 -1.965 11.333 11.510 858 1HD ARG 105 HD2 ARG 105 -1.561 10.447 13.655 859 2HD ARG 105 HD3 ARG 105 -0.425 9.247 13.028 860 HE ARG 105 HE ARG 105 0.458 11.869 12.403 861 1HH1 ARG 105 HH11 ARG 105 0.023 10.603 15.757 862 2HH1 ARG 105 HH12 ARG 105 1.353 9.554 15.339 863 1HH2 ARG 105 HH21 ARG 105 2.060 12.915 13.719 864 2HH2 ARG 105 HH22 ARG 105 3.049 11.706 14.454 865 H ASP 106 HN ASP 106 -1.105 7.162 9.071 866 HA ASP 106 HA ASP 106 1.351 8.474 8.496 867 1HB ASP 106 HB3 ASP 106 0.674 5.889 9.013 868 2HB ASP 106 HB2 ASP 106 0.943 5.820 7.278 869 H ILE 107 HN ILE 107 -1.470 8.189 6.778 870 HA ILE 107 HA ILE 107 -0.176 8.441 4.158 871 HB ILE 107 HB ILE 107 -2.933 7.659 5.023 872 1HG1 ILE 107 HG12 ILE 107 -0.997 6.460 3.031 873 2HG1 ILE 107 HG13 ILE 107 -1.150 5.954 4.713 874 1HG2 ILE 107 HG21 ILE 107 -3.588 9.137 3.406 875 2HG2 ILE 107 HG22 ILE 107 -2.123 8.921 2.458 876 3HG2 ILE 107 HG23 ILE 107 -3.373 7.669 2.461 877 1HD1 ILE 107 HD11 ILE 107 -3.138 5.636 2.486 878 2HD1 ILE 107 HD12 ILE 107 -2.354 4.384 3.447 879 3HD1 ILE 107 HD13 ILE 107 -3.570 5.430 4.192 880 H ALA 108 HN ALA 108 -2.112 10.076 6.534 881 HA ALA 108 HA ALA 108 -2.832 12.334 4.906 882 1HB ALA 108 HB1 ALA 108 -4.289 12.141 6.669 883 2HB ALA 108 HB2 ALA 108 -3.042 11.604 7.785 884 3HB ALA 108 HB3 ALA 108 -3.154 13.307 7.345 885 H GLU 109 HN GLU 109 -0.102 11.184 6.341 886 HA GLU 109 HA GLU 109 1.546 13.360 5.601 887 1HB GLU 109 HB3 GLU 109 2.525 13.557 7.991 888 2HB GLU 109 HB2 GLU 109 1.065 14.461 7.608 889 1HG GLU 109 HG3 GLU 109 -0.297 12.873 8.775 890 2HG GLU 109 HG2 GLU 109 1.087 11.806 9.028 891 H GLU 110 HN GLU 110 2.345 11.664 4.383 892 HA GLU 110 HA GLU 110 3.123 9.196 5.387 893 1HB GLU 110 HB2 GLU 110 4.418 8.921 3.321 894 2HB GLU 110 HB3 GLU 110 2.796 9.519 3.018 895 1HG GLU 110 HG3 GLU 110 5.122 11.401 3.189 896 2HG GLU 110 HG2 GLU 110 4.787 10.506 1.708 897 H GLN 111 HN GLN 111 4.765 8.423 6.365 898 HA GLN 111 HA GLN 111 6.417 9.938 7.953 899 1HB GLN 111 HB2 GLN 111 5.721 7.499 8.137 900 2HB GLN 111 HB3 GLN 111 7.052 7.147 7.041 901 1HG GLN 111 HG2 GLN 111 8.641 8.023 8.618 902 2HG GLN 111 HG3 GLN 111 7.338 8.503 9.702 903 1HE2 GLN 111 HE21 GLN 111 6.112 5.822 8.574 904 2HE2 GLN 111 HE22 GLN 111 6.667 4.712 9.775 905 H GLU 112 HN GLU 112 6.924 9.224 4.628 906 HA GLU 112 HA GLU 112 9.734 9.181 4.650 907 1HB GLU 112 HB2 GLU 112 7.688 9.563 2.534 908 2HB GLU 112 HB3 GLU 112 9.361 9.957 2.169 909 1HG GLU 112 HG2 GLU 112 8.234 7.309 3.033 910 2HG GLU 112 HG3 GLU 112 9.004 7.712 1.501 911 H LYS 113 HN LYS 113 7.792 11.736 5.479 912 HA LYS 113 HA LYS 113 9.251 13.899 4.307 913 1HB LYS 113 HB3 LYS 113 7.645 13.902 6.873 914 2HB LYS 113 HB2 LYS 113 8.124 15.312 5.937 915 1HG LYS 113 HG2 LYS 113 6.085 13.225 5.258 916 2HG LYS 113 HG3 LYS 113 5.869 14.969 5.429 917 1HD LYS 113 HD3 LYS 113 7.277 15.315 3.440 918 2HD LYS 113 HD2 LYS 113 7.437 13.567 3.286 919 1HE LYS 113 HE3 LYS 113 5.686 14.768 1.833 920 2HE LYS 113 HE2 LYS 113 5.232 13.275 2.653 921 1HZ LYS 113 HZ1 LYS 113 4.065 15.842 2.881 922 2HZ LYS 113 HZ2 LYS 113 4.628 15.352 4.401 923 3HZ LYS 113 HZ3 LYS 113 3.549 14.367 3.547 924 H TYR 114 HN TYR 114 9.773 11.710 6.865 925 HA TYR 114 HA TYR 114 11.412 13.262 8.551 926 1HB TYR 114 HB3 TYR 114 10.315 11.071 9.146 927 2HB TYR 114 HB2 TYR 114 11.558 10.265 8.190 928 HD1 TYR 114 HD1 TYR 114 11.352 12.873 10.848 929 HD2 TYR 114 HD2 TYR 114 13.356 9.421 9.378 930 HE1 TYR 114 HE1 TYR 114 12.859 12.931 12.784 931 HE2 TYR 114 HE2 TYR 114 14.871 9.474 11.313 932 HH TYR 114 HH TYR 114 14.398 10.787 13.992 933 H ALA 115 HN ALA 115 12.159 11.193 5.770 934 HA ALA 115 HA ALA 115 14.875 12.331 5.842 935 1HB ALA 115 HB1 ALA 115 15.023 10.038 6.557 936 2HB ALA 115 HB2 ALA 115 14.136 9.501 5.128 937 3HB ALA 115 HB3 ALA 115 15.738 10.204 4.956 938 H ALA 116 HN ALA 116 12.452 10.787 3.746 939 HA ALA 116 HA ALA 116 11.894 11.082 1.568 940 1HB ALA 116 HB1 ALA 116 12.307 13.634 2.568 941 2HB ALA 116 HB2 ALA 116 13.225 13.607 1.058 942 3HB ALA 116 HB3 ALA 116 11.510 13.219 1.052 943 H GLU 117 HN GLU 117 14.513 13.121 0.702 944 HA GLU 117 HA GLU 117 15.867 10.807 -0.498 945 1HB GLU 117 HB3 GLU 117 15.435 13.588 -1.511 946 2HB GLU 117 HB2 GLU 117 16.857 12.693 -2.028 947 1HG GLU 117 HG3 GLU 117 15.361 10.873 -2.809 948 2HG GLU 117 HG2 GLU 117 13.982 11.903 -2.423 949 H ARG 118 HN ARG 118 17.946 10.467 -0.104 950 HA ARG 118 HA ARG 118 19.233 12.163 1.893 951 1HB ARG 118 HB3 ARG 118 19.022 9.615 2.098 952 2HB ARG 118 HB2 ARG 118 20.247 9.532 0.836 953 1HG ARG 118 HG2 ARG 118 21.694 10.967 2.330 954 2HG ARG 118 HG3 ARG 118 20.514 10.640 3.609 955 1HD ARG 118 HD2 ARG 118 20.873 8.206 3.216 956 2HD ARG 118 HD3 ARG 118 22.172 8.630 2.094 957 HE ARG 118 HE ARG 118 22.435 9.786 4.727 958 1HH1 ARG 118 HH12 ARG 118 24.550 7.927 2.597 959 2HH1 ARG 118 HH11 ARG 118 23.683 6.525 3.142 960 1HH2 ARG 118 HH21 ARG 118 23.807 8.319 6.319 961 2HH2 ARG 118 HH22 ARG 118 25.226 8.599 5.349 962 H ASP 119 HN ASP 119 21.628 12.467 1.632 963 HA ASP 119 HA ASP 119 22.572 12.580 -1.107 964 1HB ASP 119 HB2 ASP 119 23.205 14.995 -0.844 965 2HB ASP 119 HB3 ASP 119 21.461 14.706 -0.934 Start of MODEL 6 1 1H MET 1 HT1 MET 1 27.291 -8.756 -1.307 2 2H MET 1 HT2 MET 1 28.161 -8.549 0.158 3 3H MET 1 HT3 MET 1 26.817 -7.531 -0.209 4 HA MET 1 HA MET 1 25.561 -9.732 -0.343 5 1HB MET 1 HB2 MET 1 27.584 -11.092 -0.058 6 2HB MET 1 HB3 MET 1 27.852 -10.363 1.521 7 1HG MET 1 HG2 MET 1 25.762 -11.334 2.330 8 2HG MET 1 HG3 MET 1 25.457 -12.017 0.734 9 1HE MET 1 HE1 MET 1 25.187 -14.502 2.262 10 2HE MET 1 HE2 MET 1 26.444 -14.893 3.433 11 3HE MET 1 HE3 MET 1 25.505 -13.399 3.597 12 H GLY 2 HN GLY 2 23.832 -9.284 0.883 13 1HA GLY 2 HA1 GLY 2 24.202 -8.284 3.623 14 2HA GLY 2 HA2 GLY 2 23.290 -7.270 2.507 15 H ASP 3 HN ASP 3 23.429 -10.742 3.339 16 HA ASP 3 HA ASP 3 20.539 -10.889 3.008 17 1HB ASP 3 HB3 ASP 3 22.666 -12.982 3.427 18 2HB ASP 3 HB2 ASP 3 20.946 -13.368 3.428 19 H THR 4 HN THR 4 19.720 -9.854 4.751 20 HA THR 4 HA THR 4 19.969 -11.355 7.248 21 HB THR 4 HB THR 4 19.830 -9.178 8.501 22 HG1 THR 4 HG1 THR 4 20.093 -7.322 7.459 23 1HG2 THR 4 HG21 THR 4 21.974 -9.489 8.880 24 2HG2 THR 4 HG22 THR 4 22.353 -8.640 7.383 25 3HG2 THR 4 HG23 THR 4 22.142 -10.397 7.387 26 H GLY 5 HN GLY 5 18.201 -8.809 5.508 27 1HA GLY 5 HA2 GLY 5 15.927 -8.442 5.296 28 2HA GLY 5 HA1 GLY 5 15.687 -10.109 5.790 29 H LYS 6 HN LYS 6 17.286 -7.676 7.737 30 HA LYS 6 HA LYS 6 15.063 -7.883 9.657 31 1HB LYS 6 HB3 LYS 6 17.953 -7.164 10.197 32 2HB LYS 6 HB2 LYS 6 16.679 -7.369 11.393 33 1HG LYS 6 HG3 LYS 6 16.485 -9.702 10.860 34 2HG LYS 6 HG2 LYS 6 17.689 -9.548 9.583 35 1HD LYS 6 HD3 LYS 6 19.382 -8.944 11.270 36 2HD LYS 6 HD2 LYS 6 18.157 -9.088 12.537 37 1HE LYS 6 HE2 LYS 6 17.845 -11.459 11.961 38 2HE LYS 6 HE3 LYS 6 19.065 -11.315 10.695 39 1HZ LYS 6 HZ1 LYS 6 19.365 -11.477 13.586 40 2HZ LYS 6 HZ2 LYS 6 20.468 -10.481 12.766 41 3HZ LYS 6 HZ3 LYS 6 20.336 -12.122 12.354 42 H LEU 7 HN LEU 7 17.459 -5.615 8.349 43 HA LEU 7 HA LEU 7 15.790 -3.379 9.258 44 1HB LEU 7 HB2 LEU 7 18.140 -3.327 9.962 45 2HB LEU 7 HB3 LEU 7 18.662 -3.398 8.288 46 HG LEU 7 HG LEU 7 17.472 -1.168 7.938 47 1HD1 LEU 7 HD11 LEU 7 16.523 0.004 9.667 48 2HD1 LEU 7 HD12 LEU 7 16.135 -1.642 10.152 49 3HD1 LEU 7 HD13 LEU 7 17.511 -0.801 10.885 50 1HD2 LEU 7 HD21 LEU 7 19.820 -1.486 9.760 51 2HD2 LEU 7 HD22 LEU 7 19.772 -0.985 8.076 52 3HD2 LEU 7 HD23 LEU 7 19.208 0.116 9.339 53 H GLY 8 HN GLY 8 14.326 -2.852 7.736 54 1HA GLY 8 HA1 GLY 8 14.748 -1.488 5.467 55 2HA GLY 8 HA2 GLY 8 14.901 -3.145 4.897 56 H ARG 9 HN ARG 9 12.694 -2.123 7.467 57 HA ARG 9 HA ARG 9 10.447 -2.880 5.695 58 1HB ARG 9 HB3 ARG 9 10.401 -2.678 8.704 59 2HB ARG 9 HB2 ARG 9 9.190 -3.412 7.668 60 1HG ARG 9 HG2 ARG 9 10.968 -5.077 6.980 61 2HG ARG 9 HG3 ARG 9 11.930 -4.449 8.319 62 1HD ARG 9 HD2 ARG 9 10.151 -5.034 9.875 63 2HD ARG 9 HD3 ARG 9 9.150 -5.588 8.535 64 HE ARG 9 HE ARG 9 11.100 -7.114 9.884 65 1HH1 ARG 9 HH11 ARG 9 9.404 -7.594 6.552 66 2HH1 ARG 9 HH12 ARG 9 10.941 -6.911 6.115 67 1HH2 ARG 9 HH22 ARG 9 11.776 -9.122 9.058 68 2HH2 ARG 9 HH21 ARG 9 11.541 -9.509 7.386 69 H ILE 10 HN ILE 10 11.977 -0.415 6.018 70 HA ILE 10 HA ILE 10 11.576 1.807 6.948 71 HB ILE 10 HB ILE 10 12.337 1.670 4.671 72 1HG1 ILE 10 HG12 ILE 10 11.242 3.778 3.756 73 2HG1 ILE 10 HG13 ILE 10 10.211 3.750 5.185 74 1HG2 ILE 10 HG21 ILE 10 10.864 1.615 2.767 75 2HG2 ILE 10 HG22 ILE 10 10.624 0.191 3.784 76 3HG2 ILE 10 HG23 ILE 10 9.461 1.519 3.831 77 1HD1 ILE 10 HD11 ILE 10 12.719 3.497 6.264 78 2HD1 ILE 10 HD12 ILE 10 12.987 4.580 4.902 79 3HD1 ILE 10 HD13 ILE 10 11.797 4.996 6.133 80 H ILE 11 HN ILE 11 8.569 1.064 5.015 81 HA ILE 11 HA ILE 11 7.237 2.918 6.859 82 HB ILE 11 HB ILE 11 5.896 1.753 4.444 83 1HG1 ILE 11 HG13 ILE 11 7.624 4.241 4.576 84 2HG1 ILE 11 HG12 ILE 11 8.049 2.760 3.728 85 1HG2 ILE 11 HG21 ILE 11 5.314 4.502 5.197 86 2HG2 ILE 11 HG22 ILE 11 4.211 3.146 5.012 87 3HG2 ILE 11 HG23 ILE 11 5.061 3.404 6.548 88 1HD1 ILE 11 HD11 ILE 11 5.792 3.239 2.454 89 2HD1 ILE 11 HD12 ILE 11 6.083 4.883 3.034 90 3HD1 ILE 11 HD13 ILE 11 7.278 4.087 2.013 91 H ARG 12 HN ARG 12 5.012 0.831 5.331 92 HA ARG 12 HA ARG 12 4.918 -1.022 7.614 93 1HB ARG 12 HB2 ARG 12 3.574 1.118 8.037 94 2HB ARG 12 HB3 ARG 12 2.472 0.523 6.794 95 1HG ARG 12 HG3 ARG 12 1.460 -0.758 8.305 96 2HG ARG 12 HG2 ARG 12 2.987 -1.579 8.654 97 1HD ARG 12 HD3 ARG 12 1.854 0.868 9.958 98 2HD ARG 12 HD2 ARG 12 2.225 -0.682 10.710 99 HE ARG 12 HE ARG 12 4.548 0.510 9.583 100 1HH1 ARG 12 HH11 ARG 12 3.493 -0.240 12.927 101 2HH1 ARG 12 HH12 ARG 12 2.958 1.423 13.053 102 1HH2 ARG 12 HH22 ARG 12 5.735 2.260 11.007 103 2HH2 ARG 12 HH21 ARG 12 5.948 1.327 12.463 104 H HIS 13 HN HIS 13 3.754 -2.935 7.225 105 HA HIS 13 HA HIS 13 2.591 -3.234 4.545 106 1HB HIS 13 HB2 HIS 13 3.661 -5.457 4.316 107 2HB HIS 13 HB3 HIS 13 4.819 -4.142 4.380 108 HD1 HIS 13 HD1 HIS 13 5.979 -3.821 6.851 109 HD2 HIS 13 HD2 HIS 13 4.255 -7.505 5.996 110 HE1 HIS 13 HE1 HIS 13 6.910 -5.420 8.560 111 HE2 HIS 13 HE2 HIS 13 6.020 -7.697 7.875 112 H ASP 14 HN ASP 14 0.550 -3.785 4.782 113 HA ASP 14 HA ASP 14 -0.186 -5.866 6.693 114 1HB ASP 14 HB2 ASP 14 -1.173 -3.050 6.743 115 2HB ASP 14 HB3 ASP 14 -2.338 -4.343 7.039 116 H ALA 15 HN ALA 15 -1.987 -7.047 6.116 117 HA ALA 15 HA ALA 15 -2.666 -6.919 3.304 118 1HB ALA 15 HB1 ALA 15 -3.818 -9.028 3.695 119 2HB ALA 15 HB2 ALA 15 -2.174 -9.073 4.326 120 3HB ALA 15 HB3 ALA 15 -3.530 -8.871 5.431 121 H PHE 16 HN PHE 16 -4.510 -6.160 2.463 122 HA PHE 16 HA PHE 16 -6.710 -5.447 4.303 123 1HB PHE 16 HB2 PHE 16 -5.635 -3.799 2.001 124 2HB PHE 16 HB3 PHE 16 -7.105 -3.421 2.883 125 HD1 PHE 16 HD1 PHE 16 -4.563 -1.724 2.442 126 HD2 PHE 16 HD2 PHE 16 -5.887 -4.193 5.640 127 HE1 PHE 16 HE1 PHE 16 -3.229 -0.364 4.027 128 HE2 PHE 16 HE2 PHE 16 -4.552 -2.850 7.225 129 HZ PHE 16 HZ PHE 16 -3.230 -0.939 6.424 130 H GLN 17 HN GLN 17 -8.133 -7.045 3.695 131 HA GLN 17 HA GLN 17 -8.490 -7.709 0.938 132 1HB GLN 17 HB3 GLN 17 -10.234 -9.227 1.651 133 2HB GLN 17 HB2 GLN 17 -8.819 -9.438 2.668 134 1HG GLN 17 HG2 GLN 17 -9.886 -8.439 4.516 135 2HG GLN 17 HG3 GLN 17 -11.124 -7.704 3.497 136 1HE2 GLN 17 HE21 GLN 17 -10.674 -10.709 2.300 137 2HE2 GLN 17 HE22 GLN 17 -11.868 -11.573 3.208 138 H VAL 18 HN VAL 18 -9.517 -6.463 -0.404 139 HA VAL 18 HA VAL 18 -12.096 -5.362 0.115 140 HB VAL 18 HB VAL 18 -10.849 -3.833 1.464 141 1HG1 VAL 18 HG11 VAL 18 -8.875 -4.303 -0.568 142 2HG1 VAL 18 HG12 VAL 18 -9.075 -2.572 -0.306 143 3HG1 VAL 18 HG13 VAL 18 -8.666 -3.629 1.048 144 1HG2 VAL 18 HG21 VAL 18 -11.474 -2.554 -1.199 145 2HG2 VAL 18 HG22 VAL 18 -12.547 -2.703 0.192 146 3HG2 VAL 18 HG23 VAL 18 -11.126 -1.671 0.290 147 H TRP 19 HN TRP 19 -12.913 -4.151 -1.699 148 HA TRP 19 HA TRP 19 -12.394 -5.249 -4.209 149 1HB TRP 19 HB2 TRP 19 -13.661 -2.561 -3.719 150 2HB TRP 19 HB3 TRP 19 -14.008 -3.691 -5.022 151 HD1 TRP 19 HD1 TRP 19 -15.808 -5.593 -4.524 152 HE1 TRP 19 HE1 TRP 19 -17.433 -5.990 -2.584 153 HE3 TRP 19 HE3 TRP 19 -13.760 -2.384 -1.093 154 HZ2 TRP 19 HZ2 TRP 19 -17.802 -5.058 0.070 155 HZ3 TRP 19 HZ3 TRP 19 -14.805 -2.202 1.109 156 HH2 TRP 19 HH2 TRP 19 -16.780 -3.509 1.687 157 H GLU 20 HN GLU 20 -10.584 -4.956 -5.392 158 HA GLU 20 HA GLU 20 -9.290 -2.326 -5.345 159 1HB GLU 20 HB2 GLU 20 -7.393 -3.371 -6.353 160 2HB GLU 20 HB3 GLU 20 -7.930 -4.336 -4.995 161 1HG GLU 20 HG3 GLU 20 -8.831 -5.074 -7.731 162 2HG GLU 20 HG2 GLU 20 -7.189 -5.467 -7.214 163 H GLY 21 HN GLY 21 -11.759 -2.722 -6.450 164 1HA GLY 21 HA1 GLY 21 -12.977 -1.974 -8.258 165 2HA GLY 21 HA2 GLY 21 -11.462 -1.506 -9.016 166 H ASP 22 HN ASP 22 -12.436 -2.237 -10.965 167 HA ASP 22 HA ASP 22 -12.613 -3.634 -12.712 168 1HB ASP 22 HB2 ASP 22 -10.411 -4.456 -12.019 169 2HB ASP 22 HB3 ASP 22 -11.180 -5.673 -11.008 170 H GLU 23 HN GLU 23 -13.573 -5.190 -9.652 171 HA GLU 23 HA GLU 23 -16.174 -5.604 -10.346 172 1HB GLU 23 HB2 GLU 23 -15.374 -7.032 -12.155 173 2HB GLU 23 HB3 GLU 23 -14.525 -8.041 -11.004 174 1HG GLU 23 HG2 GLU 23 -16.638 -8.696 -10.034 175 2HG GLU 23 HG3 GLU 23 -17.505 -7.683 -11.182 176 HA PRO 24 HA PRO 24 -15.573 -8.150 -6.510 177 1HB PRO 24 HB2 PRO 24 -14.029 -10.321 -6.464 178 2HB PRO 24 HB3 PRO 24 -15.442 -10.221 -7.528 179 1HG PRO 24 HG2 PRO 24 -12.579 -10.172 -8.229 180 2HG PRO 24 HG3 PRO 24 -13.974 -10.511 -9.256 181 1HD PRO 24 HD3 PRO 24 -12.541 -7.979 -8.889 182 2HD PRO 24 HD2 PRO 24 -13.736 -8.420 -10.131 183 HA PRO 25 HA PRO 25 -12.108 -7.024 -3.961 184 1HB PRO 25 HB3 PRO 25 -12.910 -8.041 -1.609 185 2HB PRO 25 HB2 PRO 25 -13.703 -6.667 -2.365 186 1HG PRO 25 HG3 PRO 25 -14.633 -9.442 -2.074 187 2HG PRO 25 HG2 PRO 25 -15.580 -7.975 -2.342 188 1HD PRO 25 HD3 PRO 25 -14.725 -9.970 -4.254 189 2HD PRO 25 HD2 PRO 25 -15.742 -8.543 -4.546 190 H LYS 26 HN LYS 26 -10.149 -7.845 -3.215 191 HA LYS 26 HA LYS 26 -9.891 -10.771 -3.438 192 1HB LYS 26 HB2 LYS 26 -8.581 -8.765 -4.849 193 2HB LYS 26 HB3 LYS 26 -7.393 -9.323 -3.683 194 1HG LYS 26 HG3 LYS 26 -7.188 -10.495 -5.782 195 2HG LYS 26 HG2 LYS 26 -7.621 -11.584 -4.467 196 1HD LYS 26 HD2 LYS 26 -9.844 -11.774 -5.227 197 2HD LYS 26 HD3 LYS 26 -9.679 -10.386 -6.304 198 1HE LYS 26 HE2 LYS 26 -8.333 -11.587 -7.825 199 2HE LYS 26 HE3 LYS 26 -8.018 -12.872 -6.663 200 1HZ LYS 26 HZ1 LYS 26 -10.753 -12.798 -6.998 201 2HZ LYS 26 HZ2 LYS 26 -9.688 -13.971 -7.592 202 3HZ LYS 26 HZ3 LYS 26 -10.104 -12.641 -8.560 203 H LEU 27 HN LEU 27 -7.195 -10.737 -2.556 204 HA LEU 27 HA LEU 27 -7.328 -9.970 0.265 205 1HB LEU 27 HB3 LEU 27 -7.761 -12.529 -0.395 206 2HB LEU 27 HB2 LEU 27 -6.018 -12.543 -0.520 207 HG LEU 27 HG LEU 27 -6.518 -13.355 1.635 208 1HD1 LEU 27 HD21 LEU 27 -5.065 -10.974 1.348 209 2HD1 LEU 27 HD22 LEU 27 -6.079 -10.762 2.785 210 3HD1 LEU 27 HD23 LEU 27 -4.988 -12.137 2.669 211 1HD2 LEU 27 HD11 LEU 27 -7.869 -11.568 3.107 212 2HD2 LEU 27 HD12 LEU 27 -8.616 -11.304 1.538 213 3HD2 LEU 27 HD13 LEU 27 -8.645 -12.916 2.257 214 H ARG 28 HN ARG 28 -6.099 -8.251 -0.757 215 HA ARG 28 HA ARG 28 -3.453 -8.966 -1.750 216 1HB ARG 28 HB3 ARG 28 -4.826 -6.285 -1.708 217 2HB ARG 28 HB2 ARG 28 -3.345 -6.689 -2.562 218 1HG ARG 28 HG3 ARG 28 -4.535 -8.181 -4.013 219 2HG ARG 28 HG2 ARG 28 -6.017 -7.931 -3.089 220 1HD ARG 28 HD3 ARG 28 -4.637 -5.568 -4.286 221 2HD ARG 28 HD2 ARG 28 -5.619 -6.609 -5.316 222 HE ARG 28 HE ARG 28 -7.514 -5.762 -4.330 223 1HH1 ARG 28 HH12 ARG 28 -4.994 -3.619 -2.882 224 2HH1 ARG 28 HH11 ARG 28 -5.389 -4.290 -1.337 225 1HH2 ARG 28 HH22 ARG 28 -8.724 -4.588 -2.663 226 2HH2 ARG 28 HH21 ARG 28 -7.849 -3.139 -2.247 227 H TYR 29 HN TYR 29 -1.725 -8.811 -0.551 228 HA TYR 29 HA TYR 29 -1.803 -7.546 2.038 229 1HB TYR 29 HB2 TYR 29 0.381 -9.004 0.521 230 2HB TYR 29 HB3 TYR 29 0.586 -8.326 2.133 231 HD1 TYR 29 HD1 TYR 29 -1.866 -10.536 0.390 232 HD2 TYR 29 HD2 TYR 29 0.487 -9.801 3.845 233 HE1 TYR 29 HE1 TYR 29 -2.642 -12.658 1.354 234 HE2 TYR 29 HE2 TYR 29 -0.310 -11.908 4.852 235 HH TYR 29 HH TYR 29 -2.709 -13.926 3.188 236 H VAL 30 HN VAL 30 -1.664 -5.364 2.019 237 HA VAL 30 HA VAL 30 -0.294 -3.966 -0.093 238 HB VAL 30 HB VAL 30 -1.695 -2.962 2.391 239 1HG1 VAL 30 HG21 VAL 30 -0.938 -1.377 -0.042 240 2HG1 VAL 30 HG22 VAL 30 -1.516 -0.786 1.517 241 3HG1 VAL 30 HG23 VAL 30 0.093 -1.490 1.384 242 1HG2 VAL 30 HG11 VAL 30 -3.348 -2.199 0.543 243 2HG2 VAL 30 HG12 VAL 30 -2.558 -3.421 -0.453 244 3HG2 VAL 30 HG13 VAL 30 -3.384 -3.886 1.047 245 H PHE 31 HN PHE 31 1.722 -3.340 -0.042 246 HA PHE 31 HA PHE 31 3.139 -3.270 2.544 247 1HB PHE 31 HB3 PHE 31 4.191 -4.272 -0.116 248 2HB PHE 31 HB2 PHE 31 5.216 -3.933 1.263 249 HD1 PHE 31 HD1 PHE 31 5.988 -6.299 0.768 250 HD2 PHE 31 HD2 PHE 31 2.106 -5.401 2.225 251 HE1 PHE 31 HE1 PHE 31 5.732 -8.620 1.545 252 HE2 PHE 31 HE2 PHE 31 1.832 -7.706 2.962 253 HZ PHE 31 HZ PHE 31 3.641 -9.330 2.618 254 H LEU 32 HN LEU 32 4.031 -1.323 2.948 255 HA LEU 32 HA LEU 32 4.444 0.432 0.608 256 1HB LEU 32 HB2 LEU 32 4.590 1.694 3.260 257 2HB LEU 32 HB3 LEU 32 3.929 2.293 1.747 258 HG LEU 32 HG LEU 32 2.513 0.366 3.590 259 1HD1 LEU 32 HD11 LEU 32 2.814 3.246 3.651 260 2HD1 LEU 32 HD12 LEU 32 1.121 2.763 3.493 261 3HD1 LEU 32 HD13 LEU 32 2.107 2.163 4.836 262 1HD2 LEU 32 HD21 LEU 32 0.821 0.272 2.118 263 2HD2 LEU 32 HD22 LEU 32 1.050 1.938 1.585 264 3HD2 LEU 32 HD23 LEU 32 2.074 0.674 0.937 265 H PHE 33 HN PHE 33 6.506 0.367 0.007 266 HA PHE 33 HA PHE 33 8.572 0.545 2.082 267 1HB PHE 33 HB3 PHE 33 8.457 -1.521 -0.117 268 2HB PHE 33 HB2 PHE 33 9.944 -1.119 0.733 269 HD1 PHE 33 HD1 PHE 33 6.504 -2.410 1.239 270 HD2 PHE 33 HD2 PHE 33 10.456 -2.108 2.766 271 HE1 PHE 33 HE1 PHE 33 5.951 -4.031 2.996 272 HE2 PHE 33 HE2 PHE 33 9.925 -3.770 4.492 273 HZ PHE 33 HZ PHE 33 7.651 -4.722 4.627 274 H ARG 34 HN ARG 34 9.387 2.484 1.617 275 HA ARG 34 HA ARG 34 10.557 4.118 0.622 276 1HB ARG 34 HB3 ARG 34 11.426 1.850 -1.160 277 2HB ARG 34 HB2 ARG 34 12.181 3.442 -1.143 278 1HG ARG 34 HG2 ARG 34 12.864 3.170 1.154 279 2HG ARG 34 HG3 ARG 34 11.946 1.675 1.297 280 1HD ARG 34 HD3 ARG 34 14.323 2.068 -0.511 281 2HD ARG 34 HD2 ARG 34 14.359 1.284 1.068 282 HE ARG 34 HE ARG 34 12.425 0.070 -0.648 283 1HH1 ARG 34 HH12 ARG 34 16.074 0.096 -0.986 284 2HH1 ARG 34 HH11 ARG 34 15.903 -0.933 0.407 285 1HH2 ARG 34 HH22 ARG 34 13.235 -2.473 -0.863 286 2HH2 ARG 34 HH21 ARG 34 13.996 -1.948 -2.331 287 H ASN 35 HN ASN 35 8.967 5.391 0.008 288 HA ASN 35 HA ASN 35 7.648 6.653 -1.333 289 1HB ASN 35 HB2 ASN 35 10.019 6.982 -2.198 290 2HB ASN 35 HB3 ASN 35 9.587 5.898 -3.516 291 1HD2 ASN 35 HD21 ASN 35 7.342 8.159 -2.113 292 2HD2 ASN 35 HD22 ASN 35 7.360 9.299 -3.407 293 H LYS 36 HN LYS 36 6.743 3.814 -1.290 294 HA LYS 36 HA LYS 36 4.894 4.037 -3.431 295 1HB LYS 36 HB2 LYS 36 5.503 2.093 -4.760 296 2HB LYS 36 HB3 LYS 36 6.806 3.279 -4.753 297 1HG LYS 36 HG3 LYS 36 7.990 1.998 -3.076 298 2HG LYS 36 HG2 LYS 36 6.694 0.801 -3.067 299 1HD LYS 36 HD2 LYS 36 7.141 0.181 -5.313 300 2HD LYS 36 HD3 LYS 36 8.279 1.513 -5.522 301 1HE LYS 36 HE3 LYS 36 8.598 -0.753 -3.586 302 2HE LYS 36 HE2 LYS 36 9.411 -0.630 -5.147 303 1HZ LYS 36 HZ1 LYS 36 10.460 1.440 -4.353 304 2HZ LYS 36 HZ2 LYS 36 10.869 0.115 -3.378 305 3HZ LYS 36 HZ3 LYS 36 9.722 1.239 -2.842 306 H ILE 37 HN ILE 37 3.525 2.143 -3.723 307 HA ILE 37 HA ILE 37 3.175 0.578 -1.241 308 HB ILE 37 HB ILE 37 1.041 1.630 -3.115 309 1HG1 ILE 37 HG13 ILE 37 1.836 2.484 -0.325 310 2HG1 ILE 37 HG12 ILE 37 1.942 3.457 -1.786 311 1HG2 ILE 37 HG21 ILE 37 0.589 0.380 -0.434 312 2HG2 ILE 37 HG22 ILE 37 -0.570 0.611 -1.748 313 3HG2 ILE 37 HG23 ILE 37 0.697 -0.607 -1.891 314 1HD1 ILE 37 HD11 ILE 37 -0.206 4.050 -1.666 315 2HD1 ILE 37 HD12 ILE 37 -0.722 2.435 -1.179 316 3HD1 ILE 37 HD13 ILE 37 -0.057 3.549 0.018 317 H MET 38 HN MET 38 3.816 -1.455 -1.806 318 HA MET 38 HA MET 38 3.074 -2.479 -4.457 319 1HB MET 38 HB2 MET 38 5.505 -2.534 -3.953 320 2HB MET 38 HB3 MET 38 5.172 -3.532 -2.543 321 1HG MET 38 HG2 MET 38 4.274 -5.276 -3.966 322 2HG MET 38 HG3 MET 38 4.577 -4.283 -5.391 323 1HE MET 38 HE1 MET 38 7.101 -3.561 -6.142 324 2HE MET 38 HE2 MET 38 7.292 -2.926 -4.506 325 3HE MET 38 HE3 MET 38 8.523 -3.992 -5.187 326 H PHE 39 HN PHE 39 1.231 -3.610 -4.362 327 HA PHE 39 HA PHE 39 0.917 -5.427 -2.075 328 1HB PHE 39 HB3 PHE 39 -1.506 -5.054 -2.129 329 2HB PHE 39 HB2 PHE 39 -0.649 -3.546 -1.849 330 HD1 PHE 39 HD1 PHE 39 -0.078 -2.209 -4.077 331 HD2 PHE 39 HD2 PHE 39 -3.254 -5.001 -3.618 332 HE1 PHE 39 HE1 PHE 39 -1.224 -1.216 -5.998 333 HE2 PHE 39 HE2 PHE 39 -4.427 -3.988 -5.545 334 HZ PHE 39 HZ PHE 39 -3.376 -2.094 -6.749 335 H THR 40 HN THR 40 0.912 -7.451 -2.633 336 HA THR 40 HA THR 40 0.443 -8.185 -5.419 337 HB THR 40 HB THR 40 1.264 -10.449 -4.522 338 HG1 THR 40 HG1 THR 40 1.052 -10.224 -2.375 339 1HG2 THR 40 HG21 THR 40 2.791 -9.192 -5.802 340 2HG2 THR 40 HG22 THR 40 3.634 -9.673 -4.332 341 3HG2 THR 40 HG23 THR 40 3.026 -8.022 -4.500 342 H GLU 41 HN GLU 41 -1.304 -9.316 -6.096 343 HA GLU 41 HA GLU 41 -3.479 -9.613 -4.249 344 1HB GLU 41 HB2 GLU 41 -3.412 -10.509 -7.134 345 2HB GLU 41 HB3 GLU 41 -4.826 -10.183 -6.149 346 1HG GLU 41 HG3 GLU 41 -4.818 -8.225 -7.237 347 2HG GLU 41 HG2 GLU 41 -3.611 -7.790 -6.028 348 H GLN 42 HN GLN 42 -3.750 -11.326 -3.007 349 HA GLN 42 HA GLN 42 -2.764 -13.954 -3.918 350 1HB GLN 42 HB3 GLN 42 -1.812 -13.083 -1.780 351 2HB GLN 42 HB2 GLN 42 -3.434 -13.037 -1.108 352 1HG GLN 42 HG3 GLN 42 -3.628 -15.395 -1.186 353 2HG GLN 42 HG2 GLN 42 -2.130 -15.553 -2.105 354 1HE2 GLN 42 HE21 GLN 42 -3.426 -15.857 0.890 355 2HE2 GLN 42 HE22 GLN 42 -1.966 -15.743 1.803 356 H ASP 43 HN ASP 43 -4.449 -14.834 -5.033 357 HA ASP 43 HA ASP 43 -7.129 -14.556 -3.861 358 1HB ASP 43 HB2 ASP 43 -6.877 -13.991 -6.248 359 2HB ASP 43 HB3 ASP 43 -6.349 -15.640 -6.567 360 H ALA 44 HN ALA 44 -7.798 -16.032 -2.577 361 HA ALA 44 HA ALA 44 -7.292 -18.859 -3.162 362 1HB ALA 44 HB1 ALA 44 -5.871 -18.565 -1.340 363 2HB ALA 44 HB2 ALA 44 -6.961 -17.413 -0.560 364 3HB ALA 44 HB3 ALA 44 -7.365 -19.125 -0.595 365 H SER 45 HN SER 45 -9.462 -16.639 -3.348 366 HA SER 45 HA SER 45 -11.668 -17.950 -1.921 367 1HB SER 45 HB3 SER 45 -11.743 -15.396 -3.518 368 2HB SER 45 HB2 SER 45 -12.884 -15.931 -2.288 369 HG SER 45 HG SER 45 -10.145 -15.360 -1.758 370 H THR 46 HN THR 46 -11.022 -16.520 -5.148 371 HA THR 46 HA THR 46 -13.063 -18.259 -6.289 372 HB THR 46 HB THR 46 -12.248 -16.831 -8.402 373 HG1 THR 46 HG1 THR 46 -10.583 -15.758 -7.243 374 1HG2 THR 46 HG21 THR 46 -13.757 -14.944 -6.998 375 2HG2 THR 46 HG22 THR 46 -14.335 -16.529 -6.480 376 3HG2 THR 46 HG23 THR 46 -14.310 -16.113 -8.196 377 H SER 47 HN SER 47 -12.117 -18.610 -8.877 378 HA SER 47 HA SER 47 -10.124 -20.672 -8.390 379 1HB SER 47 HB3 SER 47 -10.849 -21.206 -10.906 380 2HB SER 47 HB2 SER 47 -11.821 -21.700 -9.520 381 HG SER 47 HG SER 47 -12.596 -20.209 -11.528 382 HA PRO 48 HA PRO 48 -7.800 -18.343 -11.740 383 1HB PRO 48 HB3 PRO 48 -8.867 -16.053 -12.836 384 2HB PRO 48 HB2 PRO 48 -9.069 -17.680 -13.500 385 1HG PRO 48 HG3 PRO 48 -11.053 -15.974 -12.294 386 2HG PRO 48 HG2 PRO 48 -11.265 -17.562 -13.057 387 1HD PRO 48 HD2 PRO 48 -11.099 -16.871 -10.218 388 2HD PRO 48 HD3 PRO 48 -11.713 -18.351 -10.984 389 HA PRO 49 HA PRO 49 -6.620 -15.260 -8.626 390 1HB PRO 49 HB2 PRO 49 -4.232 -16.192 -8.082 391 2HB PRO 49 HB3 PRO 49 -5.647 -17.158 -7.639 392 1HG PRO 49 HG3 PRO 49 -3.874 -17.406 -10.045 393 2HG PRO 49 HG2 PRO 49 -4.390 -18.677 -8.928 394 1HD PRO 49 HD2 PRO 49 -5.633 -18.136 -11.326 395 2HD PRO 49 HD3 PRO 49 -6.445 -18.880 -9.930 396 H SER 50 HN SER 50 -4.552 -13.895 -8.510 397 HA SER 50 HA SER 50 -3.346 -13.453 -11.119 398 1HB SER 50 HB2 SER 50 -4.859 -11.311 -9.614 399 2HB SER 50 HB3 SER 50 -3.853 -11.023 -11.037 400 HG SER 50 HG SER 50 -5.263 -12.537 -12.156 401 H TYR 51 HN TYR 51 -1.693 -14.461 -9.671 402 HA TYR 51 HA TYR 51 -0.385 -12.413 -8.014 403 1HB TYR 51 HB2 TYR 51 -1.060 -14.639 -6.965 404 2HB TYR 51 HB3 TYR 51 0.178 -15.389 -7.965 405 HD1 TYR 51 HD1 TYR 51 0.917 -16.129 -5.619 406 HD2 TYR 51 HD2 TYR 51 1.136 -12.111 -6.969 407 HE1 TYR 51 HE1 TYR 51 2.558 -15.646 -3.862 408 HE2 TYR 51 HE2 TYR 51 2.810 -11.638 -5.237 409 HH TYR 51 HH TYR 51 4.581 -13.585 -3.726 410 H THR 52 HN THR 52 -0.373 -12.827 -10.981 411 HA THR 52 HA THR 52 2.395 -13.596 -11.487 412 HB THR 52 HB THR 52 0.293 -12.727 -13.472 413 HG1 THR 52 HG1 THR 52 -0.467 -14.702 -13.461 414 1HG2 THR 52 HG21 THR 52 2.874 -13.006 -14.024 415 2HG2 THR 52 HG22 THR 52 1.603 -13.477 -15.153 416 3HG2 THR 52 HG23 THR 52 2.385 -14.703 -14.160 417 H HIS 53 HN HIS 53 0.248 -10.807 -12.006 418 HA HIS 53 HA HIS 53 2.551 -9.153 -12.645 419 1HB HIS 53 HB2 HIS 53 0.504 -8.891 -14.015 420 2HB HIS 53 HB3 HIS 53 -0.416 -8.484 -12.570 421 HD1 HIS 53 HD1 HIS 53 2.660 -7.122 -14.405 422 HD2 HIS 53 HD2 HIS 53 -0.672 -5.808 -12.253 423 HE1 HIS 53 HE1 HIS 53 2.779 -4.602 -14.421 424 HE2 HIS 53 HE2 HIS 53 0.740 -3.824 -13.143 425 H TYR 54 HN TYR 54 3.662 -8.379 -11.009 426 HA TYR 54 HA TYR 54 2.497 -8.116 -8.401 427 1HB TYR 54 HB2 TYR 54 5.202 -7.408 -9.523 428 2HB TYR 54 HB3 TYR 54 4.747 -7.023 -7.866 429 HD1 TYR 54 HD1 TYR 54 4.429 -9.990 -10.108 430 HD2 TYR 54 HD2 TYR 54 5.625 -8.477 -6.334 431 HE1 TYR 54 HE1 TYR 54 5.127 -12.244 -9.435 432 HE2 TYR 54 HE2 TYR 54 6.286 -10.741 -5.618 433 HH TYR 54 HH TYR 54 6.417 -13.409 -7.858 434 H SER 55 HN SER 55 1.038 -6.568 -8.103 435 HA SER 55 HA SER 55 0.936 -4.180 -9.603 436 1HB SER 55 HB3 SER 55 -0.930 -5.379 -8.246 437 2HB SER 55 HB2 SER 55 -0.307 -4.454 -6.879 438 HG SER 55 HG SER 55 -1.982 -3.657 -8.746 439 H SER 56 HN SER 56 1.638 -2.124 -9.211 440 HA SER 56 HA SER 56 3.039 -1.538 -6.718 441 1HB SER 56 HB2 SER 56 4.359 -1.211 -9.422 442 2HB SER 56 HB3 SER 56 5.052 -0.753 -7.865 443 HG SER 56 HG SER 56 4.227 -3.307 -7.796 444 H ILE 57 HN ILE 57 2.461 0.391 -6.016 445 HA ILE 57 HA ILE 57 1.534 2.411 -7.958 446 HB ILE 57 HB ILE 57 0.454 1.783 -5.198 447 1HG1 ILE 57 HG13 ILE 57 -0.385 0.431 -7.091 448 2HG1 ILE 57 HG12 ILE 57 -1.645 1.410 -6.346 449 1HG2 ILE 57 HG21 ILE 57 -0.115 4.209 -6.902 450 2HG2 ILE 57 HG22 ILE 57 -1.118 3.681 -5.555 451 3HG2 ILE 57 HG23 ILE 57 0.546 4.156 -5.261 452 1HD1 ILE 57 HD11 ILE 57 -1.528 3.010 -8.171 453 2HD1 ILE 57 HD12 ILE 57 -0.173 2.127 -8.873 454 3HD1 ILE 57 HD13 ILE 57 -1.769 1.374 -8.810 455 H ARG 58 HN ARG 58 2.814 4.199 -7.970 456 HA ARG 58 HA ARG 58 4.723 4.522 -5.815 457 1HB ARG 58 HB2 ARG 58 5.868 6.094 -7.131 458 2HB ARG 58 HB3 ARG 58 5.310 4.879 -8.271 459 1HG ARG 58 HG2 ARG 58 3.971 7.530 -7.783 460 2HG ARG 58 HG3 ARG 58 5.092 7.209 -9.102 461 1HD ARG 58 HD3 ARG 58 3.519 5.341 -9.783 462 2HD ARG 58 HD2 ARG 58 2.363 6.039 -8.643 463 HE ARG 58 HE ARG 58 3.370 8.023 -10.413 464 1HH1 ARG 58 HH11 ARG 58 1.247 5.256 -11.672 465 2HH1 ARG 58 HH12 ARG 58 0.355 5.835 -10.306 466 1HH2 ARG 58 HH22 ARG 58 1.839 7.937 -12.917 467 2HH2 ARG 58 HH21 ARG 58 0.893 8.852 -11.769 468 H LEU 59 HN LEU 59 4.459 5.640 -4.155 469 HA LEU 59 HA LEU 59 2.109 6.956 -3.406 470 1HB LEU 59 HB2 LEU 59 4.917 7.001 -2.353 471 2HB LEU 59 HB3 LEU 59 3.703 8.037 -1.634 472 HG LEU 59 HG LEU 59 3.459 5.033 -1.794 473 1HD1 LEU 59 HD21 LEU 59 4.100 5.046 0.593 474 2HD1 LEU 59 HD22 LEU 59 5.402 5.587 -0.463 475 3HD1 LEU 59 HD23 LEU 59 4.462 6.769 0.451 476 1HD2 LEU 59 HD11 LEU 59 2.070 6.268 0.363 477 2HD2 LEU 59 HD12 LEU 59 1.639 7.083 -1.146 478 3HD2 LEU 59 HD13 LEU 59 1.414 5.336 -0.985 479 H ASP 60 HN ASP 60 5.195 8.164 -4.494 480 HA ASP 60 HA ASP 60 5.066 10.815 -4.204 481 1HB ASP 60 HB3 ASP 60 6.963 9.499 -5.162 482 2HB ASP 60 HB2 ASP 60 6.105 9.456 -6.698 483 H LYS 61 HN LYS 61 3.264 9.066 -6.751 484 HA LYS 61 HA LYS 61 2.041 11.659 -7.395 485 1HB LYS 61 HB3 LYS 61 3.980 11.242 -8.893 486 2HB LYS 61 HB2 LYS 61 3.145 9.831 -9.520 487 1HG LYS 61 HG2 LYS 61 1.302 11.296 -10.270 488 2HG LYS 61 HG3 LYS 61 2.260 12.700 -9.785 489 1HD LYS 61 HD2 LYS 61 4.023 12.050 -11.326 490 2HD LYS 61 HD3 LYS 61 3.124 10.591 -11.751 491 1HE LYS 61 HE3 LYS 61 1.253 12.129 -12.514 492 2HE LYS 61 HE2 LYS 61 2.408 13.456 -12.341 493 1HZ LYS 61 HZ1 LYS 61 3.389 11.194 -13.859 494 2HZ LYS 61 HZ2 LYS 61 3.515 12.844 -14.186 495 3HZ LYS 61 HZ3 LYS 61 2.087 12.015 -14.587 496 H TYR 62 HN TYR 62 0.282 10.484 -6.144 497 HA TYR 62 HA TYR 62 -1.525 9.506 -8.166 498 1HB TYR 62 HB3 TYR 62 -2.299 7.576 -7.040 499 2HB TYR 62 HB2 TYR 62 -0.556 7.439 -7.170 500 HD1 TYR 62 HD1 TYR 62 -3.153 8.568 -4.693 501 HD2 TYR 62 HD2 TYR 62 0.618 6.709 -5.345 502 HE1 TYR 62 HE1 TYR 62 -3.024 8.010 -2.296 503 HE2 TYR 62 HE2 TYR 62 0.749 6.139 -2.968 504 HH TYR 62 HH TYR 62 -1.079 7.527 -0.640 505 H ASN 63 HN ASN 63 -3.812 9.638 -7.451 506 HA ASN 63 HA ASN 63 -4.093 11.817 -5.528 507 1HB ASN 63 HB2 ASN 63 -5.064 12.154 -7.794 508 2HB ASN 63 HB3 ASN 63 -6.070 10.732 -7.551 509 1HD2 ASN 63 HD21 ASN 63 -8.035 11.648 -7.597 510 2HD2 ASN 63 HD22 ASN 63 -8.543 12.955 -6.587 511 H ILE 64 HN ILE 64 -5.269 11.511 -3.658 512 HA ILE 64 HA ILE 64 -6.483 8.865 -3.305 513 HB ILE 64 HB ILE 64 -4.224 8.607 -2.574 514 1HG1 ILE 64 HG13 ILE 64 -6.269 7.726 -1.152 515 2HG1 ILE 64 HG12 ILE 64 -4.611 7.516 -0.599 516 1HG2 ILE 64 HG21 ILE 64 -4.270 10.360 -0.280 517 2HG2 ILE 64 HG22 ILE 64 -3.012 10.093 -1.478 518 3HG2 ILE 64 HG23 ILE 64 -4.318 11.230 -1.816 519 1HD1 ILE 64 HD11 ILE 64 -6.137 8.237 1.194 520 2HD1 ILE 64 HD12 ILE 64 -4.827 9.387 0.900 521 3HD1 ILE 64 HD13 ILE 64 -6.444 9.721 0.297 522 H ARG 65 HN ARG 65 -8.089 8.636 -1.949 523 HA ARG 65 HA ARG 65 -9.022 10.973 -0.467 524 1HB ARG 65 HB3 ARG 65 -10.610 8.978 -2.104 525 2HB ARG 65 HB2 ARG 65 -11.357 10.076 -0.951 526 1HG ARG 65 HG2 ARG 65 -9.882 10.819 -3.472 527 2HG ARG 65 HG3 ARG 65 -11.610 10.968 -3.147 528 1HD ARG 65 HD3 ARG 65 -11.127 12.593 -1.366 529 2HD ARG 65 HD2 ARG 65 -9.401 12.454 -1.724 530 HE ARG 65 HE ARG 65 -9.712 13.951 -3.422 531 1HH1 ARG 65 HH11 ARG 65 -13.144 12.392 -3.385 532 2HH1 ARG 65 HH12 ARG 65 -13.355 13.961 -2.661 533 1HH2 ARG 65 HH22 ARG 65 -11.093 14.640 -5.515 534 2HH2 ARG 65 HH21 ARG 65 -12.303 15.513 -4.592 535 H GLN 66 HN GLN 66 -10.267 10.372 1.436 536 HA GLN 66 HA GLN 66 -9.997 7.597 2.336 537 1HB GLN 66 HB3 GLN 66 -9.039 8.158 4.476 538 2HB GLN 66 HB2 GLN 66 -7.986 8.795 3.222 539 1HG GLN 66 HG3 GLN 66 -10.047 10.530 4.564 540 2HG GLN 66 HG2 GLN 66 -8.464 10.258 5.284 541 1HE2 GLN 66 HE21 GLN 66 -6.864 11.558 4.716 542 2HE2 GLN 66 HE22 GLN 66 -7.001 12.797 3.513 543 H HIS 67 HN HIS 67 -11.750 6.904 3.351 544 HA HIS 67 HA HIS 67 -13.805 8.956 3.861 545 1HB HIS 67 HB3 HIS 67 -14.114 6.095 2.929 546 2HB HIS 67 HB2 HIS 67 -15.463 7.132 3.386 547 HD1 HIS 67 HD1 HIS 67 -15.627 9.417 1.966 548 HD2 HIS 67 HD2 HIS 67 -13.431 6.315 0.284 549 HE1 HIS 67 HE1 HIS 67 -15.445 9.975 -0.475 550 HE2 HIS 67 HE2 HIS 67 -14.083 8.091 -1.483 551 H THR 68 HN THR 68 -13.220 9.287 5.993 552 HA THR 68 HA THR 68 -13.218 7.124 7.886 553 HB THR 68 HB THR 68 -13.164 10.128 8.256 554 HG1 THR 68 HG1 THR 68 -11.063 8.229 8.449 555 1HG2 THR 68 HG21 THR 68 -13.306 7.970 10.185 556 2HG2 THR 68 HG22 THR 68 -13.539 9.700 10.406 557 3HG2 THR 68 HG23 THR 68 -11.905 9.020 10.416 558 H THR 69 HN THR 69 -15.024 6.211 8.479 559 HA THR 69 HA THR 69 -17.258 7.624 9.538 560 HB THR 69 HB THR 69 -17.929 5.947 7.116 561 HG1 THR 69 HG1 THR 69 -17.113 8.612 7.205 562 1HG2 THR 69 HG21 THR 69 -19.494 8.213 8.289 563 2HG2 THR 69 HG22 THR 69 -19.682 6.544 8.828 564 3HG2 THR 69 HG23 THR 69 -20.028 6.975 7.151 565 H ASP 70 HN ASP 70 -15.899 6.091 10.966 566 HA ASP 70 HA ASP 70 -16.214 4.385 12.495 567 1HB ASP 70 HB3 ASP 70 -18.569 3.998 11.742 568 2HB ASP 70 HB2 ASP 70 -17.950 2.982 10.449 569 H GLU 71 HN GLU 71 -15.878 3.661 9.101 570 HA GLU 71 HA GLU 71 -13.617 1.856 9.671 571 1HB GLU 71 HB3 GLU 71 -15.363 2.032 7.194 572 2HB GLU 71 HB2 GLU 71 -13.998 0.948 7.397 573 1HG GLU 71 HG3 GLU 71 -15.187 -0.203 9.197 574 2HG GLU 71 HG2 GLU 71 -16.563 0.874 8.947 575 H ASP 72 HN ASP 72 -11.653 2.695 9.067 576 HA ASP 72 HA ASP 72 -11.659 5.220 7.620 577 1HB ASP 72 HB2 ASP 72 -9.496 3.685 9.052 578 2HB ASP 72 HB3 ASP 72 -9.108 5.053 8.013 579 H THR 73 HN THR 73 -12.504 4.237 5.696 580 HA THR 73 HA THR 73 -10.946 2.368 4.242 581 HB THR 73 HB THR 73 -13.236 4.121 3.347 582 HG1 THR 73 HG1 THR 73 -14.240 2.901 4.756 583 1HG2 THR 73 HG21 THR 73 -11.715 1.996 2.026 584 2HG2 THR 73 HG22 THR 73 -12.699 3.290 1.343 585 3HG2 THR 73 HG23 THR 73 -13.470 1.823 1.958 586 H ILE 74 HN ILE 74 -9.440 2.701 2.718 587 HA ILE 74 HA ILE 74 -8.772 5.498 2.049 588 HB ILE 74 HB ILE 74 -7.044 3.023 1.860 589 1HG1 ILE 74 HG13 ILE 74 -7.380 3.788 4.176 590 2HG1 ILE 74 HG12 ILE 74 -5.718 4.046 3.653 591 1HG2 ILE 74 HG21 ILE 74 -6.690 5.781 0.827 592 2HG2 ILE 74 HG22 ILE 74 -5.292 5.027 1.590 593 3HG2 ILE 74 HG23 ILE 74 -6.071 4.246 0.219 594 1HD1 ILE 74 HD11 ILE 74 -7.776 6.235 3.575 595 2HD1 ILE 74 HD12 ILE 74 -6.807 5.885 4.998 596 3HD1 ILE 74 HD13 ILE 74 -6.008 6.373 3.508 597 H VAL 75 HN VAL 75 -8.939 6.138 -0.024 598 HA VAL 75 HA VAL 75 -9.323 4.097 -2.099 599 HB VAL 75 HB VAL 75 -11.036 6.557 -1.718 600 1HG1 VAL 75 HG21 VAL 75 -11.189 4.536 -3.945 601 2HG1 VAL 75 HG22 VAL 75 -12.169 5.999 -3.745 602 3HG1 VAL 75 HG23 VAL 75 -10.440 6.127 -4.068 603 1HG2 VAL 75 HG11 VAL 75 -11.624 3.636 -1.423 604 2HG2 VAL 75 HG12 VAL 75 -11.943 4.958 -0.301 605 3HG2 VAL 75 HG13 VAL 75 -12.896 4.808 -1.775 606 H LEU 76 HN LEU 76 -7.617 4.402 -3.386 607 HA LEU 76 HA LEU 76 -6.692 7.105 -3.836 608 1HB LEU 76 HB3 LEU 76 -4.808 6.053 -5.059 609 2HB LEU 76 HB2 LEU 76 -4.905 5.618 -3.367 610 HG LEU 76 HG LEU 76 -6.223 3.814 -5.283 611 1HD1 LEU 76 HD21 LEU 76 -4.417 3.520 -6.592 612 2HD1 LEU 76 HD22 LEU 76 -3.464 4.621 -5.584 613 3HD1 LEU 76 HD23 LEU 76 -3.560 2.920 -5.170 614 1HD2 LEU 76 HD11 LEU 76 -5.589 3.747 -2.605 615 2HD2 LEU 76 HD12 LEU 76 -6.104 2.387 -3.591 616 3HD2 LEU 76 HD13 LEU 76 -4.383 2.686 -3.339 617 H GLN 77 HN GLN 77 -6.947 8.178 -5.671 618 HA GLN 77 HA GLN 77 -8.587 6.859 -7.730 619 1HB GLN 77 HB2 GLN 77 -8.363 9.751 -6.892 620 2HB GLN 77 HB3 GLN 77 -9.336 9.195 -8.238 621 1HG GLN 77 HG3 GLN 77 -10.698 7.858 -6.699 622 2HG GLN 77 HG2 GLN 77 -9.721 8.424 -5.345 623 1HE2 GLN 77 HE21 GLN 77 -9.898 10.896 -7.497 624 2HE2 GLN 77 HE22 GLN 77 -11.345 11.683 -6.973 625 HA PRO 78 HA PRO 78 -5.514 7.430 -10.766 626 1HB PRO 78 HB3 PRO 78 -7.054 8.028 -12.940 627 2HB PRO 78 HB2 PRO 78 -6.866 6.403 -12.286 628 1HG PRO 78 HG3 PRO 78 -9.115 8.312 -11.988 629 2HG PRO 78 HG2 PRO 78 -9.132 6.544 -12.132 630 1HD PRO 78 HD3 PRO 78 -9.441 7.871 -9.760 631 2HD PRO 78 HD2 PRO 78 -8.784 6.231 -9.893 632 H GLN 79 HN GLN 79 -4.206 9.183 -10.585 633 HA GLN 79 HA GLN 79 -5.244 11.866 -10.859 634 1HB GLN 79 HB3 GLN 79 -2.838 12.555 -10.616 635 2HB GLN 79 HB2 GLN 79 -3.444 11.584 -9.280 636 1HG GLN 79 HG3 GLN 79 -1.480 10.544 -9.570 637 2HG GLN 79 HG2 GLN 79 -2.427 9.623 -10.735 638 1HE2 GLN 79 HE21 GLN 79 -1.898 12.803 -11.747 639 2HE2 GLN 79 HE22 GLN 79 -0.675 12.442 -12.903 640 H GLU 80 HN GLU 80 -4.336 9.401 -12.882 641 HA GLU 80 HA GLU 80 -4.310 11.130 -15.221 642 1HB GLU 80 HB3 GLU 80 -2.230 9.040 -14.556 643 2HB GLU 80 HB2 GLU 80 -2.551 9.533 -16.212 644 1HG GLU 80 HG2 GLU 80 -1.935 11.830 -15.654 645 2HG GLU 80 HG3 GLU 80 -1.615 11.337 -13.992 646 HA PRO 81 HA PRO 81 -7.394 8.156 -16.309 647 1HB PRO 81 HB3 PRO 81 -6.465 8.469 -19.101 648 2HB PRO 81 HB2 PRO 81 -8.075 8.705 -18.406 649 1HG PRO 81 HG2 PRO 81 -6.617 10.795 -19.088 650 2HG PRO 81 HG3 PRO 81 -7.540 10.808 -17.577 651 1HD PRO 81 HD3 PRO 81 -4.610 10.330 -17.992 652 2HD PRO 81 HD2 PRO 81 -5.423 11.337 -16.774 653 H GLY 82 HN GLY 82 -4.089 7.624 -17.087 654 1HA GLY 82 HA1 GLY 82 -4.539 4.941 -18.131 655 2HA GLY 82 HA2 GLY 82 -2.981 5.719 -17.894 656 H LEU 83 HN LEU 83 -4.426 6.294 -15.044 657 HA LEU 83 HA LEU 83 -3.156 3.948 -13.831 658 1HB LEU 83 HB2 LEU 83 -2.483 6.248 -13.153 659 2HB LEU 83 HB3 LEU 83 -4.114 6.519 -12.572 660 HG LEU 83 HG LEU 83 -3.790 4.614 -10.966 661 1HD1 LEU 83 HD11 LEU 83 -1.865 3.661 -12.330 662 2HD1 LEU 83 HD12 LEU 83 -0.867 4.899 -11.553 663 3HD1 LEU 83 HD13 LEU 83 -1.682 3.686 -10.573 664 1HD2 LEU 83 HD21 LEU 83 -2.077 7.078 -10.825 665 2HD2 LEU 83 HD22 LEU 83 -3.668 6.818 -10.123 666 3HD2 LEU 83 HD23 LEU 83 -2.248 5.971 -9.466 667 HA PRO 84 HA PRO 84 -7.262 2.368 -12.946 668 1HB PRO 84 HB2 PRO 84 -6.462 0.163 -11.587 669 2HB PRO 84 HB3 PRO 84 -6.415 0.267 -13.354 670 1HG PRO 84 HG3 PRO 84 -4.226 0.572 -11.352 671 2HG PRO 84 HG2 PRO 84 -4.187 -0.194 -12.943 672 1HD PRO 84 HD2 PRO 84 -3.210 2.293 -12.408 673 2HD PRO 84 HD3 PRO 84 -3.769 1.766 -14.002 674 H SER 85 HN SER 85 -8.620 2.349 -11.173 675 HA SER 85 HA SER 85 -7.478 3.410 -8.679 676 1HB SER 85 HB3 SER 85 -9.910 4.072 -8.241 677 2HB SER 85 HB2 SER 85 -9.096 4.917 -9.557 678 HG SER 85 HG SER 85 -11.079 4.285 -10.310 679 H PHE 86 HN PHE 86 -7.681 2.372 -6.791 680 HA PHE 86 HA PHE 86 -9.585 0.174 -6.569 681 1HB PHE 86 HB2 PHE 86 -8.072 -1.494 -6.118 682 2HB PHE 86 HB3 PHE 86 -7.201 -0.572 -7.331 683 HD1 PHE 86 HD1 PHE 86 -7.430 -1.425 -3.816 684 HD2 PHE 86 HD2 PHE 86 -5.160 0.577 -6.769 685 HE1 PHE 86 HE1 PHE 86 -5.549 -1.235 -2.232 686 HE2 PHE 86 HE2 PHE 86 -3.263 0.748 -5.225 687 HZ PHE 86 HZ PHE 86 -3.458 -0.156 -2.925 688 H ARG 87 HN ARG 87 -10.059 -0.438 -4.365 689 HA ARG 87 HA ARG 87 -9.511 1.738 -2.468 690 1HB ARG 87 HB2 ARG 87 -11.810 -0.222 -2.580 691 2HB ARG 87 HB3 ARG 87 -11.649 1.099 -1.440 692 1HG ARG 87 HG3 ARG 87 -12.047 2.711 -3.061 693 2HG ARG 87 HG2 ARG 87 -11.703 1.604 -4.390 694 1HD ARG 87 HD2 ARG 87 -13.715 0.315 -3.807 695 2HD ARG 87 HD3 ARG 87 -14.075 1.478 -2.530 696 HE ARG 87 HE ARG 87 -15.080 2.720 -4.122 697 1HH1 ARG 87 HH12 ARG 87 -13.653 0.407 -6.515 698 2HH1 ARG 87 HH11 ARG 87 -12.364 1.572 -6.688 699 1HH2 ARG 87 HH21 ARG 87 -15.684 3.275 -6.313 700 2HH2 ARG 87 HH22 ARG 87 -14.326 3.453 -7.372 701 H ILE 88 HN ILE 88 -9.620 1.074 -0.169 702 HA ILE 88 HA ILE 88 -8.888 -1.668 0.412 703 HB ILE 88 HB ILE 88 -7.104 -0.696 2.082 704 1HG1 ILE 88 HG12 ILE 88 -6.922 1.286 -0.199 705 2HG1 ILE 88 HG13 ILE 88 -7.491 1.666 1.423 706 1HG2 ILE 88 HG21 ILE 88 -5.630 -1.797 0.840 707 2HG2 ILE 88 HG22 ILE 88 -7.017 -2.150 -0.197 708 3HG2 ILE 88 HG23 ILE 88 -5.935 -0.821 -0.594 709 1HD1 ILE 88 HD11 ILE 88 -5.375 1.531 2.342 710 2HD1 ILE 88 HD12 ILE 88 -4.794 0.456 1.072 711 3HD1 ILE 88 HD13 ILE 88 -5.014 2.175 0.735 712 H LYS 89 HN LYS 89 -9.544 -2.345 2.578 713 HA LYS 89 HA LYS 89 -10.462 -0.202 4.285 714 1HB LYS 89 HB3 LYS 89 -12.708 -0.941 4.555 715 2HB LYS 89 HB2 LYS 89 -12.431 -0.725 2.833 716 1HG LYS 89 HG2 LYS 89 -12.885 -2.866 2.391 717 2HG LYS 89 HG3 LYS 89 -11.903 -3.446 3.737 718 1HD LYS 89 HD3 LYS 89 -14.243 -4.081 4.032 719 2HD LYS 89 HD2 LYS 89 -13.720 -2.958 5.292 720 1HE LYS 89 HE2 LYS 89 -14.731 -1.103 4.090 721 2HE LYS 89 HE3 LYS 89 -15.310 -2.198 2.837 722 1HZ LYS 89 HZ1 LYS 89 -17.076 -1.744 4.370 723 2HZ LYS 89 HZ2 LYS 89 -16.106 -2.124 5.710 724 3HZ LYS 89 HZ3 LYS 89 -16.586 -3.344 4.623 725 HA PRO 90 HA PRO 90 -9.025 -2.890 7.454 726 1HB PRO 90 HB3 PRO 90 -11.084 -2.003 9.322 727 2HB PRO 90 HB2 PRO 90 -9.361 -1.615 9.315 728 1HG PRO 90 HG2 PRO 90 -11.295 0.218 8.740 729 2HG PRO 90 HG3 PRO 90 -9.661 0.279 8.036 730 1HD PRO 90 HD2 PRO 90 -12.224 -0.713 6.842 731 2HD PRO 90 HD3 PRO 90 -10.924 0.237 6.092 732 H LYS 91 HN LYS 91 -10.912 -4.216 5.754 733 HA LYS 91 HA LYS 91 -12.692 -5.647 7.535 734 1HB LYS 91 HB2 LYS 91 -13.325 -5.041 5.136 735 2HB LYS 91 HB3 LYS 91 -12.214 -6.315 4.642 736 1HG LYS 91 HG3 LYS 91 -13.487 -7.894 6.088 737 2HG LYS 91 HG2 LYS 91 -14.696 -6.630 6.305 738 1HD LYS 91 HD3 LYS 91 -15.129 -6.593 3.935 739 2HD LYS 91 HD2 LYS 91 -13.835 -7.766 3.662 740 1HE LYS 91 HE2 LYS 91 -15.038 -9.399 5.052 741 2HE LYS 91 HE3 LYS 91 -16.343 -8.238 5.280 742 1HZ LYS 91 HZ1 LYS 91 -17.026 -9.672 3.558 743 2HZ LYS 91 HZ2 LYS 91 -15.521 -9.596 2.770 744 3HZ LYS 91 HZ3 LYS 91 -16.560 -8.250 2.785 745 H ASP 92 HN ASP 92 -9.465 -5.904 6.605 746 HA ASP 92 HA ASP 92 -9.481 -8.812 7.004 747 1HB ASP 92 HB3 ASP 92 -8.230 -7.852 5.033 748 2HB ASP 92 HB2 ASP 92 -7.128 -7.096 6.190 749 H PHE 93 HN PHE 93 -9.688 -6.324 8.900 750 HA PHE 93 HA PHE 93 -7.542 -7.072 10.721 751 1HB PHE 93 HB2 PHE 93 -9.313 -4.651 10.557 752 2HB PHE 93 HB3 PHE 93 -8.493 -5.067 12.057 753 HD1 PHE 93 HD1 PHE 93 -5.890 -5.753 11.558 754 HD2 PHE 93 HD2 PHE 93 -8.273 -3.072 9.287 755 HE1 PHE 93 HE1 PHE 93 -3.872 -4.662 10.726 756 HE2 PHE 93 HE2 PHE 93 -6.255 -1.938 8.511 757 HZ PHE 93 HZ PHE 93 -4.042 -2.741 9.223 758 H GLU 94 HN GLU 94 -9.736 -5.688 12.601 759 HA GLU 94 HA GLU 94 -11.813 -7.435 13.138 760 1HB GLU 94 HB3 GLU 94 -10.088 -9.141 13.511 761 2HB GLU 94 HB2 GLU 94 -9.286 -8.094 14.672 762 1HG GLU 94 HG2 GLU 94 -11.309 -8.208 16.099 763 2HG GLU 94 HG3 GLU 94 -12.003 -9.362 14.959 764 H THR 95 HN THR 95 -9.185 -6.251 15.198 765 HA THR 95 HA THR 95 -10.742 -3.968 16.044 766 HB THR 95 HB THR 95 -11.340 -5.901 17.539 767 HG1 THR 95 HG1 THR 95 -11.751 -4.317 18.833 768 1HG2 THR 95 HG21 THR 95 -8.806 -5.562 18.968 769 2HG2 THR 95 HG22 THR 95 -8.785 -6.546 17.510 770 3HG2 THR 95 HG23 THR 95 -9.877 -6.969 18.826 771 H SER 96 HN SER 96 -8.300 -4.773 14.568 772 HA SER 96 HA SER 96 -6.221 -3.453 16.157 773 1HB SER 96 HB3 SER 96 -5.450 -4.678 13.603 774 2HB SER 96 HB2 SER 96 -4.748 -4.902 15.208 775 HG SER 96 HG SER 96 -5.792 -6.735 15.300 776 H GLU 97 HN GLU 97 -8.038 -1.734 15.255 777 HA GLU 97 HA GLU 97 -7.225 -0.613 12.697 778 1HB GLU 97 HB3 GLU 97 -9.626 -0.754 13.663 779 2HB GLU 97 HB2 GLU 97 -9.066 0.524 14.726 780 1HG GLU 97 HG2 GLU 97 -8.685 2.007 12.904 781 2HG GLU 97 HG3 GLU 97 -9.000 0.727 11.733 782 H TYR 98 HN TYR 98 -5.534 -0.902 15.012 783 HA TYR 98 HA TYR 98 -5.132 1.746 16.132 784 1HB TYR 98 HB2 TYR 98 -3.630 -0.856 16.510 785 2HB TYR 98 HB3 TYR 98 -3.073 0.663 17.200 786 HD1 TYR 98 HD1 TYR 98 -6.017 -1.614 17.168 787 HD2 TYR 98 HD2 TYR 98 -3.837 1.349 19.310 788 HE1 TYR 98 HE1 TYR 98 -7.446 -1.995 19.146 789 HE2 TYR 98 HE2 TYR 98 -5.235 0.934 21.287 790 HH TYR 98 HH TYR 98 -7.028 -1.654 21.805 791 H VAL 99 HN VAL 99 -3.488 -0.352 13.762 792 HA VAL 99 HA VAL 99 -1.453 1.638 13.337 793 HB VAL 99 HB VAL 99 -0.765 0.172 11.423 794 1HG1 VAL 99 HG11 VAL 99 -0.056 -0.067 13.876 795 2HG1 VAL 99 HG12 VAL 99 -1.046 -1.525 13.869 796 3HG1 VAL 99 HG13 VAL 99 0.313 -1.369 12.747 797 1HG2 VAL 99 HG21 VAL 99 -2.231 -2.168 12.155 798 2HG2 VAL 99 HG22 VAL 99 -3.352 -0.880 11.714 799 3HG2 VAL 99 HG23 VAL 99 -2.088 -1.381 10.586 800 H ARG 100 HN ARG 100 -4.549 0.861 12.214 801 HA ARG 100 HA ARG 100 -4.633 1.890 9.652 802 1HB ARG 100 HB2 ARG 100 -6.533 0.722 10.542 803 2HB ARG 100 HB3 ARG 100 -6.733 1.929 11.804 804 1HG ARG 100 HG3 ARG 100 -8.401 2.206 10.101 805 2HG ARG 100 HG2 ARG 100 -7.315 3.591 10.142 806 1HD ARG 100 HD3 ARG 100 -7.804 3.018 7.849 807 2HD ARG 100 HD2 ARG 100 -6.105 2.733 8.220 808 HE ARG 100 HE ARG 100 -7.300 0.316 8.620 809 1HH1 ARG 100 HH12 ARG 100 -8.104 2.252 5.742 810 2HH1 ARG 100 HH11 ARG 100 -6.624 1.699 5.017 811 1HH2 ARG 100 HH21 ARG 100 -8.124 -1.115 6.228 812 2HH2 ARG 100 HH22 ARG 100 -6.391 -1.131 6.212 813 H LYS 101 HN LYS 101 -4.667 3.629 12.709 814 HA LYS 101 HA LYS 101 -5.404 6.146 11.638 815 1HB LYS 101 HB3 LYS 101 -4.219 5.209 14.203 816 2HB LYS 101 HB2 LYS 101 -4.138 6.925 13.822 817 1HG LYS 101 HG3 LYS 101 -6.095 6.300 15.184 818 2HG LYS 101 HG2 LYS 101 -6.517 7.071 13.655 819 1HD LYS 101 HD3 LYS 101 -6.954 4.861 12.677 820 2HD LYS 101 HD2 LYS 101 -6.570 4.100 14.222 821 1HE LYS 101 HE2 LYS 101 -8.926 4.221 14.196 822 2HE LYS 101 HE3 LYS 101 -8.421 5.572 15.212 823 1HZ LYS 101 HZ1 LYS 101 -9.187 5.757 12.339 824 2HZ LYS 101 HZ2 LYS 101 -8.679 7.048 13.317 825 3HZ LYS 101 HZ3 LYS 101 -10.128 6.251 13.661 826 H ALA 102 HN ALA 102 -2.393 4.447 11.875 827 HA ALA 102 HA ALA 102 -0.913 6.796 10.841 828 1HB ALA 102 HB1 ALA 102 1.047 5.826 11.587 829 2HB ALA 102 HB2 ALA 102 -0.094 5.189 12.762 830 3HB ALA 102 HB3 ALA 102 0.427 4.183 11.405 831 H TRP 103 HN TRP 103 -2.800 4.689 9.600 832 HA TRP 103 HA TRP 103 -1.131 3.959 7.293 833 1HB TRP 103 HB3 TRP 103 -3.687 2.831 8.329 834 2HB TRP 103 HB2 TRP 103 -3.473 2.859 6.583 835 HD1 TRP 103 HD1 TRP 103 -2.290 1.077 9.702 836 HE1 TRP 103 HE1 TRP 103 -0.743 -0.891 9.038 837 HE3 TRP 103 HE3 TRP 103 -1.759 2.085 4.727 838 HZ2 TRP 103 HZ2 TRP 103 0.522 -1.876 6.707 839 HZ3 TRP 103 HZ3 TRP 103 -0.397 0.574 3.334 840 HH2 TRP 103 HH2 TRP 103 0.738 -1.356 4.297 841 H LEU 104 HN LEU 104 -3.407 6.194 8.401 842 HA LEU 104 HA LEU 104 -4.474 7.006 5.871 843 1HB LEU 104 HB2 LEU 104 -4.554 8.010 8.657 844 2HB LEU 104 HB3 LEU 104 -4.817 9.188 7.389 845 HG LEU 104 HG LEU 104 -6.697 7.826 6.533 846 1HD1 LEU 104 HD11 LEU 104 -5.680 5.924 8.495 847 2HD1 LEU 104 HD12 LEU 104 -7.431 6.145 8.556 848 3HD1 LEU 104 HD13 LEU 104 -6.655 5.670 7.052 849 1HD2 LEU 104 HD21 LEU 104 -6.707 8.793 9.359 850 2HD2 LEU 104 HD22 LEU 104 -7.354 9.575 7.912 851 3HD2 LEU 104 HD23 LEU 104 -8.160 8.154 8.601 852 H ARG 105 HN ARG 105 -2.649 9.157 8.030 853 HA ARG 105 HA ARG 105 -1.709 10.934 6.334 854 1HB ARG 105 HB3 ARG 105 -1.371 10.897 8.806 855 2HB ARG 105 HB2 ARG 105 -0.101 9.700 8.582 856 1HG ARG 105 HG3 ARG 105 1.106 11.327 7.169 857 2HG ARG 105 HG2 ARG 105 -0.083 12.550 7.622 858 1HD ARG 105 HD2 ARG 105 1.788 11.042 9.446 859 2HD ARG 105 HD3 ARG 105 1.865 12.749 9.033 860 HE ARG 105 HE ARG 105 -0.624 12.243 10.241 861 1HH1 ARG 105 HH11 ARG 105 2.574 11.455 11.673 862 2HH1 ARG 105 HH12 ARG 105 2.683 13.095 12.244 863 1HH2 ARG 105 HH21 ARG 105 -0.370 12.128 13.134 864 2HH2 ARG 105 HH22 ARG 105 -0.042 13.810 12.860 865 H ASP 106 HN ASP 106 0.028 7.845 6.944 866 HA ASP 106 HA ASP 106 2.242 8.499 5.340 867 1HB ASP 106 HB2 ASP 106 1.206 6.034 6.570 868 2HB ASP 106 HB3 ASP 106 2.275 5.813 5.185 869 H ILE 107 HN ILE 107 -0.908 7.540 4.502 870 HA ILE 107 HA ILE 107 -0.203 6.636 1.838 871 HB ILE 107 HB ILE 107 -2.641 6.686 3.500 872 1HG1 ILE 107 HG13 ILE 107 -3.026 4.521 2.567 873 2HG1 ILE 107 HG12 ILE 107 -1.869 4.798 1.269 874 1HG2 ILE 107 HG21 ILE 107 -2.681 7.625 0.766 875 2HG2 ILE 107 HG22 ILE 107 -3.758 6.251 1.053 876 3HG2 ILE 107 HG23 ILE 107 -3.920 7.708 2.022 877 1HD1 ILE 107 HD11 ILE 107 -0.144 4.061 2.522 878 2HD1 ILE 107 HD12 ILE 107 -0.656 5.000 3.926 879 3HD1 ILE 107 HD13 ILE 107 -1.377 3.421 3.612 880 H ALA 108 HN ALA 108 -2.067 9.311 3.310 881 HA ALA 108 HA ALA 108 -2.489 10.697 0.890 882 1HB ALA 108 HB1 ALA 108 -3.833 10.917 2.999 883 2HB ALA 108 HB2 ALA 108 -2.513 11.891 3.659 884 3HB ALA 108 HB3 ALA 108 -3.390 12.435 2.226 885 H GLU 109 HN GLU 109 0.051 10.712 3.237 886 HA GLU 109 HA GLU 109 1.744 12.267 1.524 887 1HB GLU 109 HB2 GLU 109 2.321 13.869 3.428 888 2HB GLU 109 HB3 GLU 109 0.817 14.150 2.565 889 1HG GLU 109 HG3 GLU 109 -0.426 13.072 4.373 890 2HG GLU 109 HG2 GLU 109 1.083 12.814 5.251 891 H GLU 110 HN GLU 110 2.878 10.398 1.508 892 HA GLU 110 HA GLU 110 3.711 8.746 3.506 893 1HB GLU 110 HB2 GLU 110 5.679 8.261 2.078 894 2HB GLU 110 HB3 GLU 110 4.177 8.323 1.154 895 1HG GLU 110 HG3 GLU 110 4.699 10.610 0.464 896 2HG GLU 110 HG2 GLU 110 6.222 10.537 1.345 897 H GLN 111 HN GLN 111 5.393 8.617 4.924 898 HA GLN 111 HA GLN 111 7.405 10.666 5.167 899 1HB GLN 111 HB2 GLN 111 5.187 10.468 7.149 900 2HB GLN 111 HB3 GLN 111 6.780 11.032 7.621 901 1HG GLN 111 HG3 GLN 111 6.571 12.751 5.776 902 2HG GLN 111 HG2 GLN 111 4.869 12.296 5.674 903 1HE2 GLN 111 HE21 GLN 111 6.668 14.610 6.723 904 2HE2 GLN 111 HE22 GLN 111 5.637 15.179 7.986 905 H GLU 112 HN GLU 112 7.816 8.198 4.545 906 HA GLU 112 HA GLU 112 8.180 6.359 6.634 907 1HB GLU 112 HB3 GLU 112 9.696 5.238 4.982 908 2HB GLU 112 HB2 GLU 112 8.076 5.596 4.392 909 1HG GLU 112 HG3 GLU 112 8.919 7.541 3.193 910 2HG GLU 112 HG2 GLU 112 10.540 7.224 3.813 911 H LYS 113 HN LYS 113 10.265 8.853 5.212 912 HA LYS 113 HA LYS 113 12.546 8.112 6.774 913 1HB LYS 113 HB2 LYS 113 11.887 10.518 5.094 914 2HB LYS 113 HB3 LYS 113 13.327 10.492 6.103 915 1HG LYS 113 HG2 LYS 113 14.008 9.869 3.934 916 2HG LYS 113 HG3 LYS 113 14.009 8.393 4.891 917 1HD LYS 113 HD3 LYS 113 13.078 7.937 2.719 918 2HD LYS 113 HD2 LYS 113 11.788 7.833 3.922 919 1HE LYS 113 HE2 LYS 113 10.947 9.038 2.032 920 2HE LYS 113 HE3 LYS 113 11.180 10.201 3.337 921 1HZ LYS 113 HZ1 LYS 113 12.382 10.123 0.760 922 2HZ LYS 113 HZ2 LYS 113 13.553 10.184 1.984 923 3HZ LYS 113 HZ3 LYS 113 12.347 11.372 1.888 924 H TYR 114 HN TYR 114 9.744 9.975 7.200 925 HA TYR 114 HA TYR 114 9.038 11.526 8.727 926 1HB TYR 114 HB3 TYR 114 8.652 9.186 9.645 927 2HB TYR 114 HB2 TYR 114 10.063 9.450 10.666 928 HD1 TYR 114 HD1 TYR 114 7.041 11.473 9.750 929 HD2 TYR 114 HD2 TYR 114 9.524 9.910 12.854 930 HE1 TYR 114 HE1 TYR 114 5.647 12.568 11.413 931 HE2 TYR 114 HE2 TYR 114 8.098 10.998 14.532 932 HH TYR 114 HH TYR 114 6.566 12.965 14.652 933 H ALA 115 HN ALA 115 11.004 12.854 8.030 934 HA ALA 115 HA ALA 115 12.543 13.480 10.466 935 1HB ALA 115 HB1 ALA 115 13.635 12.472 8.186 936 2HB ALA 115 HB2 ALA 115 13.817 14.206 7.938 937 3HB ALA 115 HB3 ALA 115 14.492 13.452 9.378 938 H ALA 116 HN ALA 116 12.531 15.582 11.086 939 HA ALA 116 HA ALA 116 10.831 17.432 9.630 940 1HB ALA 116 HB1 ALA 116 11.126 17.062 12.227 941 2HB ALA 116 HB2 ALA 116 12.382 18.276 12.025 942 3HB ALA 116 HB3 ALA 116 10.715 18.647 11.560 943 H GLU 117 HN GLU 117 12.536 17.140 7.833 944 HA GLU 117 HA GLU 117 14.957 18.685 8.099 945 1HB GLU 117 HB3 GLU 117 13.643 17.509 5.633 946 2HB GLU 117 HB2 GLU 117 15.264 18.174 5.711 947 1HG GLU 117 HG2 GLU 117 15.907 16.406 7.280 948 2HG GLU 117 HG3 GLU 117 14.290 15.714 7.134 949 H ARG 118 HN ARG 118 14.829 20.821 8.194 950 HA ARG 118 HA ARG 118 12.646 22.276 6.961 951 1HB ARG 118 HB2 ARG 118 15.078 23.329 8.436 952 2HB ARG 118 HB3 ARG 118 13.642 24.248 8.000 953 1HG ARG 118 HG3 ARG 118 13.786 21.951 9.962 954 2HG ARG 118 HG2 ARG 118 13.504 23.656 10.334 955 1HD ARG 118 HD2 ARG 118 11.434 23.543 8.980 956 2HD ARG 118 HD3 ARG 118 11.716 21.818 8.760 957 HE ARG 118 HE ARG 118 11.724 22.470 11.519 958 1HH1 ARG 118 HH11 ARG 118 9.268 21.331 9.008 959 2HH1 ARG 118 HH12 ARG 118 8.253 22.553 9.739 960 1HH2 ARG 118 HH22 ARG 118 9.013 22.594 12.527 961 2HH2 ARG 118 HH21 ARG 118 9.133 20.883 12.289 962 H ASP 119 HN ASP 119 15.802 21.293 6.223 963 HA ASP 119 HA ASP 119 15.697 22.627 3.638 964 1HB ASP 119 HB2 ASP 119 17.914 23.542 3.767 965 2HB ASP 119 HB3 ASP 119 17.073 24.074 5.218 Start of MODEL 7 1 1H MET 1 HT1 MET 1 7.542 -0.750 19.609 2 2H MET 1 HT2 MET 1 6.360 -1.590 18.698 3 3H MET 1 HT3 MET 1 7.282 -0.335 17.966 4 HA MET 1 HA MET 1 9.264 -1.619 18.235 5 1HB MET 1 HB3 MET 1 7.407 -3.794 19.199 6 2HB MET 1 HB2 MET 1 9.154 -3.898 19.057 7 1HG MET 1 HG3 MET 1 9.375 -2.169 20.790 8 2HG MET 1 HG2 MET 1 7.621 -2.154 20.963 9 1HE MET 1 HE1 MET 1 10.228 -5.830 22.008 10 2HE MET 1 HE2 MET 1 10.151 -5.089 20.410 11 3HE MET 1 HE3 MET 1 10.951 -4.246 21.734 12 H GLY 2 HN GLY 2 9.871 -2.324 16.283 13 1HA GLY 2 HA1 GLY 2 9.750 -3.388 14.222 14 2HA GLY 2 HA2 GLY 2 8.146 -3.983 14.654 15 H ASP 3 HN ASP 3 8.126 -0.809 15.333 16 HA ASP 3 HA ASP 3 6.766 -0.163 12.834 17 1HB ASP 3 HB2 ASP 3 5.801 1.712 14.113 18 2HB ASP 3 HB3 ASP 3 5.494 0.158 14.881 19 H THR 4 HN THR 4 9.755 0.194 14.166 20 HA THR 4 HA THR 4 10.641 2.029 12.209 21 HB THR 4 HB THR 4 9.583 3.671 13.678 22 HG1 THR 4 HG1 THR 4 11.576 4.844 14.324 23 1HG2 THR 4 HG21 THR 4 10.649 4.057 15.948 24 2HG2 THR 4 HG22 THR 4 11.207 2.391 15.830 25 3HG2 THR 4 HG23 THR 4 9.487 2.746 15.796 26 H GLY 5 HN GLY 5 13.020 2.422 12.445 27 1HA GLY 5 HA1 GLY 5 15.145 1.839 13.277 28 2HA GLY 5 HA2 GLY 5 14.380 0.669 14.347 29 H LYS 6 HN LYS 6 15.301 -1.230 13.877 30 HA LYS 6 HA LYS 6 15.730 -1.940 11.069 31 1HB LYS 6 HB2 LYS 6 16.582 -3.317 13.628 32 2HB LYS 6 HB3 LYS 6 16.840 -3.986 12.027 33 1HG LYS 6 HG2 LYS 6 18.297 -2.199 11.426 34 2HG LYS 6 HG3 LYS 6 17.936 -1.325 12.914 35 1HD LYS 6 HD3 LYS 6 20.051 -2.343 13.229 36 2HD LYS 6 HD2 LYS 6 18.904 -3.304 14.160 37 1HE LYS 6 HE3 LYS 6 19.710 -4.015 11.361 38 2HE LYS 6 HE2 LYS 6 20.616 -4.558 12.773 39 1HZ LYS 6 HZ1 LYS 6 18.349 -5.427 13.567 40 2HZ LYS 6 HZ2 LYS 6 19.182 -6.290 12.363 41 3HZ LYS 6 HZ3 LYS 6 17.884 -5.285 11.938 42 H LEU 7 HN LEU 7 14.664 -3.622 10.066 43 HA LEU 7 HA LEU 7 12.927 -4.985 9.558 44 1HB LEU 7 HB2 LEU 7 13.994 -6.379 11.367 45 2HB LEU 7 HB3 LEU 7 12.875 -5.675 12.507 46 HG LEU 7 HG LEU 7 10.997 -6.727 11.407 47 1HD1 LEU 7 HD11 LEU 7 12.556 -8.336 9.530 48 2HD1 LEU 7 HD12 LEU 7 11.010 -7.525 9.310 49 3HD1 LEU 7 HD13 LEU 7 12.510 -6.619 9.135 50 1HD2 LEU 7 HD21 LEU 7 13.343 -8.309 12.266 51 2HD2 LEU 7 HD22 LEU 7 11.699 -8.298 12.892 52 3HD2 LEU 7 HD23 LEU 7 12.068 -9.198 11.418 53 H GLY 8 HN GLY 8 12.466 -2.278 10.027 54 1HA GLY 8 HA1 GLY 8 9.812 -2.241 11.324 55 2HA GLY 8 HA2 GLY 8 10.850 -0.834 11.093 56 H ARG 9 HN ARG 9 11.659 -1.567 8.471 57 HA ARG 9 HA ARG 9 11.120 -1.362 6.287 58 1HB ARG 9 HB3 ARG 9 8.366 -2.105 7.271 59 2HB ARG 9 HB2 ARG 9 8.710 -1.777 5.577 60 1HG ARG 9 HG2 ARG 9 10.393 -3.613 5.635 61 2HG ARG 9 HG3 ARG 9 9.863 -3.974 7.275 62 1HD ARG 9 HD3 ARG 9 7.619 -4.435 6.497 63 2HD ARG 9 HD2 ARG 9 8.067 -3.966 4.858 64 HE ARG 9 HE ARG 9 9.809 -5.983 5.499 65 1HH1 ARG 9 HH12 ARG 9 6.512 -6.337 6.523 66 2HH1 ARG 9 HH11 ARG 9 5.993 -7.054 5.029 67 1HH2 ARG 9 HH22 ARG 9 9.053 -8.057 4.059 68 2HH2 ARG 9 HH21 ARG 9 8.102 -8.791 5.326 69 H ILE 10 HN ILE 10 11.112 0.469 5.229 70 HA ILE 10 HA ILE 10 10.444 2.924 6.325 71 HB ILE 10 HB ILE 10 11.952 2.761 4.420 72 1HG1 ILE 10 HG13 ILE 10 11.099 4.596 3.006 73 2HG1 ILE 10 HG12 ILE 10 9.513 4.411 3.746 74 1HG2 ILE 10 HG21 ILE 10 11.236 1.159 2.974 75 2HG2 ILE 10 HG22 ILE 10 9.553 1.673 3.054 76 3HG2 ILE 10 HG23 ILE 10 10.716 2.610 2.118 77 1HD1 ILE 10 HD11 ILE 10 11.102 6.252 4.577 78 2HD1 ILE 10 HD12 ILE 10 10.201 5.303 5.749 79 3HD1 ILE 10 HD13 ILE 10 11.896 4.944 5.446 80 H ILE 11 HN ILE 11 8.751 4.270 6.236 81 HA ILE 11 HA ILE 11 6.653 5.022 6.201 82 HB ILE 11 HB ILE 11 6.075 3.068 3.959 83 1HG1 ILE 11 HG13 ILE 11 6.890 5.991 3.869 84 2HG1 ILE 11 HG12 ILE 11 7.856 4.622 3.308 85 1HG2 ILE 11 HG21 ILE 11 4.147 4.059 5.316 86 2HG2 ILE 11 HG22 ILE 11 4.596 5.604 4.605 87 3HG2 ILE 11 HG23 ILE 11 4.090 4.277 3.566 88 1HD1 ILE 11 HD11 ILE 11 6.644 5.991 1.554 89 2HD1 ILE 11 HD12 ILE 11 6.447 4.240 1.481 90 3HD1 ILE 11 HD13 ILE 11 5.156 5.243 2.151 91 H ARG 12 HN ARG 12 5.079 2.129 5.174 92 HA ARG 12 HA ARG 12 4.906 1.006 7.850 93 1HB ARG 12 HB2 ARG 12 2.455 2.159 6.511 94 2HB ARG 12 HB3 ARG 12 2.439 1.141 7.935 95 1HG ARG 12 HG2 ARG 12 3.747 3.826 7.786 96 2HG ARG 12 HG3 ARG 12 2.129 3.511 8.418 97 1HD ARG 12 HD2 ARG 12 3.023 2.110 10.149 98 2HD ARG 12 HD3 ARG 12 4.651 2.282 9.494 99 HE ARG 12 HE ARG 12 3.503 4.819 10.114 100 1HH1 ARG 12 HH12 ARG 12 4.550 2.066 12.236 101 2HH1 ARG 12 HH11 ARG 12 6.121 2.802 12.149 102 1HH2 ARG 12 HH22 ARG 12 5.375 5.815 11.955 103 2HH2 ARG 12 HH21 ARG 12 4.152 5.300 13.086 104 H HIS 13 HN HIS 13 2.480 -0.328 7.469 105 HA HIS 13 HA HIS 13 2.331 -1.813 5.037 106 1HB HIS 13 HB2 HIS 13 3.138 -3.977 5.752 107 2HB HIS 13 HB3 HIS 13 4.441 -2.807 5.951 108 HD1 HIS 13 HD1 HIS 13 4.856 -2.002 8.518 109 HD2 HIS 13 HD2 HIS 13 2.447 -5.352 8.002 110 HE1 HIS 13 HE1 HIS 13 4.722 -3.104 10.778 111 HE2 HIS 13 HE2 HIS 13 3.142 -5.040 10.470 112 H ASP 14 HN ASP 14 0.463 -3.101 4.969 113 HA ASP 14 HA ASP 14 -0.860 -3.896 7.388 114 1HB ASP 14 HB2 ASP 14 -1.507 -1.414 6.956 115 2HB ASP 14 HB3 ASP 14 -2.494 -2.066 5.655 116 H ALA 15 HN ALA 15 -2.957 -5.007 6.865 117 HA ALA 15 HA ALA 15 -2.868 -6.229 4.171 118 1HB ALA 15 HB1 ALA 15 -3.640 -8.368 5.349 119 2HB ALA 15 HB2 ALA 15 -1.943 -7.909 5.517 120 3HB ALA 15 HB3 ALA 15 -3.077 -7.604 6.837 121 H PHE 16 HN PHE 16 -4.840 -6.695 3.201 122 HA PHE 16 HA PHE 16 -7.293 -6.362 4.699 123 1HB PHE 16 HB3 PHE 16 -8.157 -4.569 3.301 124 2HB PHE 16 HB2 PHE 16 -6.685 -4.056 4.127 125 HD1 PHE 16 HD1 PHE 16 -7.722 -5.666 0.976 126 HD2 PHE 16 HD2 PHE 16 -5.100 -2.951 2.872 127 HE1 PHE 16 HE1 PHE 16 -6.762 -5.087 -1.230 128 HE2 PHE 16 HE2 PHE 16 -4.138 -2.348 0.698 129 HZ PHE 16 HZ PHE 16 -4.958 -3.413 -1.362 130 H GLN 17 HN GLN 17 -9.127 -6.188 2.857 131 HA GLN 17 HA GLN 17 -8.712 -7.805 0.538 132 1HB GLN 17 HB3 GLN 17 -8.968 -9.621 2.173 133 2HB GLN 17 HB2 GLN 17 -10.448 -8.879 2.782 134 1HG GLN 17 HG2 GLN 17 -11.489 -9.236 0.571 135 2HG GLN 17 HG3 GLN 17 -10.024 -10.072 0.047 136 1HE2 GLN 17 HE21 GLN 17 -13.042 -10.499 1.167 137 2HE2 GLN 17 HE22 GLN 17 -12.890 -12.125 1.723 138 H VAL 18 HN VAL 18 -9.451 -5.904 -0.441 139 HA VAL 18 HA VAL 18 -12.331 -5.359 -0.126 140 HB VAL 18 HB VAL 18 -11.198 -3.735 1.195 141 1HG1 VAL 18 HG11 VAL 18 -9.163 -4.028 -0.763 142 2HG1 VAL 18 HG12 VAL 18 -9.571 -2.321 -0.603 143 3HG1 VAL 18 HG13 VAL 18 -9.087 -3.249 0.810 144 1HG2 VAL 18 HG21 VAL 18 -12.172 -2.735 -1.442 145 2HG2 VAL 18 HG22 VAL 18 -12.940 -2.639 0.146 146 3HG2 VAL 18 HG23 VAL 18 -11.556 -1.607 -0.231 147 H TRP 19 HN TRP 19 -13.313 -4.405 -1.853 148 HA TRP 19 HA TRP 19 -13.178 -5.395 -4.294 149 1HB TRP 19 HB2 TRP 19 -13.915 -2.524 -3.724 150 2HB TRP 19 HB3 TRP 19 -14.523 -3.529 -5.036 151 HD1 TRP 19 HD1 TRP 19 -16.253 -5.518 -4.331 152 HE1 TRP 19 HE1 TRP 19 -17.914 -5.655 -2.371 153 HE3 TRP 19 HE3 TRP 19 -14.190 -1.983 -1.262 154 HZ2 TRP 19 HZ2 TRP 19 -18.286 -4.436 0.142 155 HZ3 TRP 19 HZ3 TRP 19 -15.254 -1.532 0.916 156 HH2 TRP 19 HH2 TRP 19 -17.263 -2.747 1.597 157 H GLU 20 HN GLU 20 -11.647 -5.488 -5.818 158 HA GLU 20 HA GLU 20 -9.831 -3.224 -6.229 159 1HB GLU 20 HB2 GLU 20 -9.554 -6.062 -6.349 160 2HB GLU 20 HB3 GLU 20 -9.361 -5.458 -7.982 161 1HG GLU 20 HG3 GLU 20 -7.848 -4.097 -5.828 162 2HG GLU 20 HG2 GLU 20 -7.323 -5.706 -6.314 163 H GLY 21 HN GLY 21 -9.377 -3.095 -8.866 164 1HA GLY 21 HA2 GLY 21 -12.035 -2.549 -9.971 165 2HA GLY 21 HA1 GLY 21 -10.501 -1.947 -10.554 166 H ASP 22 HN ASP 22 -9.051 -4.234 -10.819 167 HA ASP 22 HA ASP 22 -9.964 -5.181 -13.345 168 1HB ASP 22 HB3 ASP 22 -7.544 -4.964 -12.519 169 2HB ASP 22 HB2 ASP 22 -7.825 -6.471 -11.649 170 H GLU 23 HN GLU 23 -10.771 -6.004 -10.212 171 HA GLU 23 HA GLU 23 -12.400 -8.209 -11.006 172 1HB GLU 23 HB3 GLU 23 -9.890 -9.043 -10.840 173 2HB GLU 23 HB2 GLU 23 -10.217 -9.037 -9.119 174 1HG GLU 23 HG3 GLU 23 -10.573 -11.251 -9.980 175 2HG GLU 23 HG2 GLU 23 -12.124 -10.564 -9.507 176 HA PRO 24 HA PRO 24 -14.677 -7.045 -7.345 177 1HB PRO 24 HB3 PRO 24 -14.687 -9.978 -6.725 178 2HB PRO 24 HB2 PRO 24 -16.039 -8.830 -6.753 179 1HG PRO 24 HG3 PRO 24 -15.693 -10.533 -8.744 180 2HG PRO 24 HG2 PRO 24 -16.172 -8.854 -9.072 181 1HD PRO 24 HD2 PRO 24 -13.520 -10.176 -9.414 182 2HD PRO 24 HD3 PRO 24 -14.283 -8.916 -10.393 183 HA PRO 25 HA PRO 25 -12.576 -6.841 -3.411 184 1HB PRO 25 HB3 PRO 25 -13.789 -8.987 -1.980 185 2HB PRO 25 HB2 PRO 25 -14.144 -7.270 -1.875 186 1HG PRO 25 HG2 PRO 25 -15.489 -9.393 -3.479 187 2HG PRO 25 HG3 PRO 25 -16.178 -7.939 -2.740 188 1HD PRO 25 HD3 PRO 25 -15.796 -8.051 -5.363 189 2HD PRO 25 HD2 PRO 25 -15.404 -6.556 -4.467 190 H LYS 26 HN LYS 26 -10.551 -7.356 -3.510 191 HA LYS 26 HA LYS 26 -9.768 -10.178 -3.674 192 1HB LYS 26 HB2 LYS 26 -8.650 -7.715 -4.862 193 2HB LYS 26 HB3 LYS 26 -7.630 -9.098 -4.617 194 1HG LYS 26 HG2 LYS 26 -10.219 -9.311 -6.100 195 2HG LYS 26 HG3 LYS 26 -8.739 -8.760 -6.895 196 1HD LYS 26 HD2 LYS 26 -7.626 -10.860 -6.085 197 2HD LYS 26 HD3 LYS 26 -9.226 -11.422 -5.583 198 1HE LYS 26 HE2 LYS 26 -9.973 -11.645 -7.744 199 2HE LYS 26 HE3 LYS 26 -8.859 -10.422 -8.361 200 1HZ LYS 26 HZ1 LYS 26 -8.152 -13.175 -7.493 201 2HZ LYS 26 HZ2 LYS 26 -7.046 -11.987 -8.002 202 3HZ LYS 26 HZ3 LYS 26 -8.192 -12.594 -9.085 203 H LEU 27 HN LEU 27 -8.343 -10.991 -2.273 204 HA LEU 27 HA LEU 27 -7.656 -9.463 0.064 205 1HB LEU 27 HB3 LEU 27 -8.250 -11.941 -0.033 206 2HB LEU 27 HB2 LEU 27 -6.664 -12.212 -0.729 207 HG LEU 27 HG LEU 27 -6.929 -10.853 1.931 208 1HD1 LEU 27 HD11 LEU 27 -7.938 -13.405 1.432 209 2HD1 LEU 27 HD12 LEU 27 -6.349 -13.665 2.165 210 3HD1 LEU 27 HD13 LEU 27 -7.561 -12.686 3.008 211 1HD2 LEU 27 HD21 LEU 27 -4.803 -11.996 0.286 212 2HD2 LEU 27 HD22 LEU 27 -4.732 -10.750 1.516 213 3HD2 LEU 27 HD23 LEU 27 -4.734 -12.448 1.983 214 H ARG 28 HN ARG 28 -6.054 -8.018 -0.021 215 HA ARG 28 HA ARG 28 -3.580 -8.771 -1.405 216 1HB ARG 28 HB2 ARG 28 -4.836 -6.037 -1.672 217 2HB ARG 28 HB3 ARG 28 -3.418 -6.647 -2.522 218 1HG ARG 28 HG3 ARG 28 -5.016 -8.413 -3.491 219 2HG ARG 28 HG2 ARG 28 -6.301 -7.351 -2.925 220 1HD ARG 28 HD2 ARG 28 -5.821 -6.906 -5.245 221 2HD ARG 28 HD3 ARG 28 -5.367 -5.522 -4.259 222 HE ARG 28 HE ARG 28 -3.050 -6.909 -4.451 223 1HH1 ARG 28 HH11 ARG 28 -4.720 -7.149 -7.640 224 2HH1 ARG 28 HH12 ARG 28 -4.967 -5.428 -7.392 225 1HH2 ARG 28 HH22 ARG 28 -1.508 -5.762 -6.317 226 2HH2 ARG 28 HH21 ARG 28 -1.997 -6.904 -7.533 227 H TYR 29 HN TYR 29 -1.701 -7.920 -0.573 228 HA TYR 29 HA TYR 29 -1.952 -6.681 2.082 229 1HB TYR 29 HB2 TYR 29 0.203 -8.422 0.873 230 2HB TYR 29 HB3 TYR 29 0.420 -7.552 2.383 231 HD1 TYR 29 HD1 TYR 29 0.916 -10.209 2.777 232 HD2 TYR 29 HD2 TYR 29 -2.928 -8.428 2.368 233 HE1 TYR 29 HE1 TYR 29 -0.090 -12.097 3.996 234 HE2 TYR 29 HE2 TYR 29 -3.935 -10.302 3.590 235 HH TYR 29 HH TYR 29 -3.520 -12.079 4.890 236 H VAL 30 HN VAL 30 -1.403 -4.646 2.242 237 HA VAL 30 HA VAL 30 0.171 -3.466 0.065 238 HB VAL 30 HB VAL 30 -1.853 -2.265 1.932 239 1HG1 VAL 30 HG21 VAL 30 -1.368 -0.078 1.036 240 2HG1 VAL 30 HG22 VAL 30 0.082 -0.728 1.809 241 3HG1 VAL 30 HG23 VAL 30 -0.060 -0.736 0.046 242 1HG2 VAL 30 HG11 VAL 30 -3.132 -2.749 0.199 243 2HG2 VAL 30 HG12 VAL 30 -2.285 -1.464 -0.676 244 3HG2 VAL 30 HG13 VAL 30 -1.737 -3.141 -0.820 245 H PHE 31 HN PHE 31 2.136 -2.951 0.348 246 HA PHE 31 HA PHE 31 3.091 -2.021 2.975 247 1HB PHE 31 HB2 PHE 31 4.801 -3.498 0.951 248 2HB PHE 31 HB3 PHE 31 5.230 -3.072 2.600 249 HD1 PHE 31 HD1 PHE 31 3.286 -5.359 0.495 250 HD2 PHE 31 HD2 PHE 31 4.585 -4.453 4.440 251 HE1 PHE 31 HE1 PHE 31 2.562 -7.590 1.239 252 HE2 PHE 31 HE2 PHE 31 3.871 -6.687 5.192 253 HZ PHE 31 HZ PHE 31 2.856 -8.256 3.589 254 H LEU 32 HN LEU 32 3.557 0.155 2.672 255 HA LEU 32 HA LEU 32 4.226 0.910 -0.075 256 1HB LEU 32 HB2 LEU 32 3.761 2.880 2.142 257 2HB LEU 32 HB3 LEU 32 3.641 3.114 0.411 258 HG LEU 32 HG LEU 32 1.644 1.576 2.097 259 1HD1 LEU 32 HD11 LEU 32 0.448 3.481 2.231 260 2HD1 LEU 32 HD12 LEU 32 2.003 4.276 1.965 261 3HD1 LEU 32 HD13 LEU 32 0.901 4.008 0.614 262 1HD2 LEU 32 HD21 LEU 32 1.240 2.478 -0.720 263 2HD2 LEU 32 HD22 LEU 32 2.101 0.977 -0.411 264 3HD2 LEU 32 HD23 LEU 32 0.454 1.178 0.171 265 H PHE 33 HN PHE 33 6.266 1.289 -0.582 266 HA PHE 33 HA PHE 33 8.147 1.872 1.611 267 1HB PHE 33 HB3 PHE 33 8.531 0.409 -1.010 268 2HB PHE 33 HB2 PHE 33 9.889 0.998 -0.060 269 HD1 PHE 33 HD1 PHE 33 9.938 -1.747 -0.615 270 HD2 PHE 33 HD2 PHE 33 7.727 0.242 2.428 271 HE1 PHE 33 HE1 PHE 33 9.897 -3.817 0.708 272 HE2 PHE 33 HE2 PHE 33 7.684 -1.830 3.750 273 HZ PHE 33 HZ PHE 33 8.768 -3.858 2.890 274 H ARG 34 HN ARG 34 10.180 3.103 0.570 275 HA ARG 34 HA ARG 34 9.075 5.554 -0.478 276 1HB ARG 34 HB3 ARG 34 10.961 5.406 1.235 277 2HB ARG 34 HB2 ARG 34 12.000 4.922 -0.095 278 1HG ARG 34 HG2 ARG 34 11.440 7.062 -1.235 279 2HG ARG 34 HG3 ARG 34 10.561 7.546 0.217 280 1HD ARG 34 HD3 ARG 34 12.560 7.525 1.524 281 2HD ARG 34 HD2 ARG 34 13.476 6.752 0.231 282 HE ARG 34 HE ARG 34 13.904 8.815 -0.599 283 1HH1 ARG 34 HH11 ARG 34 12.056 10.086 2.126 284 2HH1 ARG 34 HH12 ARG 34 10.639 10.148 1.120 285 1HH2 ARG 34 HH21 ARG 34 12.892 11.024 -1.459 286 2HH2 ARG 34 HH22 ARG 34 12.795 11.864 0.062 287 H ASN 35 HN ASN 35 8.676 3.445 -2.196 288 HA ASN 35 HA ASN 35 10.241 4.308 -4.520 289 1HB ASN 35 HB2 ASN 35 9.453 1.427 -4.004 290 2HB ASN 35 HB3 ASN 35 10.394 2.042 -5.361 291 1HD2 ASN 35 HD21 ASN 35 12.520 2.046 -5.201 292 2HD2 ASN 35 HD22 ASN 35 13.421 1.816 -3.733 293 H LYS 36 HN LYS 36 7.541 2.245 -3.528 294 HA LYS 36 HA LYS 36 5.563 3.806 -4.792 295 1HB LYS 36 HB2 LYS 36 4.929 2.246 -6.580 296 2HB LYS 36 HB3 LYS 36 6.556 2.857 -6.842 297 1HG LYS 36 HG3 LYS 36 7.415 0.737 -5.798 298 2HG LYS 36 HG2 LYS 36 5.754 0.140 -5.851 299 1HD LYS 36 HD2 LYS 36 5.705 0.450 -8.271 300 2HD LYS 36 HD3 LYS 36 7.363 1.051 -8.227 301 1HE LYS 36 HE2 LYS 36 8.046 -1.129 -7.220 302 2HE LYS 36 HE3 LYS 36 6.400 -1.701 -7.464 303 1HZ LYS 36 HZ1 LYS 36 6.857 -2.188 -9.549 304 2HZ LYS 36 HZ2 LYS 36 8.485 -1.836 -9.244 305 3HZ LYS 36 HZ3 LYS 36 7.464 -0.638 -9.868 306 H ILE 37 HN ILE 37 3.619 1.999 -5.160 307 HA ILE 37 HA ILE 37 3.215 0.976 -2.447 308 HB ILE 37 HB ILE 37 1.329 1.111 -4.812 309 1HG1 ILE 37 HG13 ILE 37 1.585 2.789 -2.313 310 2HG1 ILE 37 HG12 ILE 37 1.908 3.310 -3.965 311 1HG2 ILE 37 HG21 ILE 37 -0.100 -0.172 -3.697 312 2HG2 ILE 37 HG22 ILE 37 1.149 -0.477 -2.504 313 3HG2 ILE 37 HG23 ILE 37 0.031 0.863 -2.273 314 1HD1 ILE 37 HD11 ILE 37 -0.652 2.947 -2.549 315 2HD1 ILE 37 HD12 ILE 37 -0.167 4.154 -3.742 316 3HD1 ILE 37 HD13 ILE 37 -0.619 2.529 -4.260 317 H MET 38 HN MET 38 4.141 -0.951 -2.133 318 HA MET 38 HA MET 38 4.217 -2.969 -4.215 319 1HB MET 38 HB3 MET 38 5.199 -3.058 -1.353 320 2HB MET 38 HB2 MET 38 5.512 -4.279 -2.575 321 1HG MET 38 HG3 MET 38 6.443 -1.422 -2.694 322 2HG MET 38 HG2 MET 38 7.427 -2.800 -2.207 323 1HE MET 38 HE1 MET 38 9.395 -2.808 -4.951 324 2HE MET 38 HE2 MET 38 8.688 -1.240 -5.349 325 3HE MET 38 HE3 MET 38 8.966 -1.681 -3.661 326 H PHE 39 HN PHE 39 1.778 -3.109 -4.238 327 HA PHE 39 HA PHE 39 0.870 -4.778 -2.002 328 1HB PHE 39 HB2 PHE 39 -1.380 -4.100 -2.364 329 2HB PHE 39 HB3 PHE 39 -0.392 -2.650 -2.304 330 HD1 PHE 39 HD1 PHE 39 0.401 -1.809 -4.725 331 HD2 PHE 39 HD2 PHE 39 -2.995 -4.227 -3.924 332 HE1 PHE 39 HE1 PHE 39 -0.619 -1.074 -6.841 333 HE2 PHE 39 HE2 PHE 39 -4.038 -3.489 -6.020 334 HZ PHE 39 HZ PHE 39 -2.845 -1.911 -7.489 335 H THR 40 HN THR 40 1.063 -6.795 -2.436 336 HA THR 40 HA THR 40 0.838 -7.825 -5.117 337 HB THR 40 HB THR 40 1.032 -10.021 -3.525 338 HG1 THR 40 HG1 THR 40 2.053 -9.574 -1.674 339 1HG2 THR 40 HG21 THR 40 3.627 -9.447 -3.556 340 2HG2 THR 40 HG22 THR 40 3.076 -8.267 -4.749 341 3HG2 THR 40 HG23 THR 40 2.751 -9.990 -4.991 342 H GLU 41 HN GLU 41 -0.434 -10.118 -5.066 343 HA GLU 41 HA GLU 41 -3.085 -9.598 -3.906 344 1HB GLU 41 HB2 GLU 41 -2.905 -8.983 -6.347 345 2HB GLU 41 HB3 GLU 41 -2.597 -10.681 -6.679 346 1HG GLU 41 HG3 GLU 41 -4.767 -11.280 -5.812 347 2HG GLU 41 HG2 GLU 41 -5.080 -9.596 -5.385 348 H GLN 42 HN GLN 42 -4.112 -11.396 -3.082 349 HA GLN 42 HA GLN 42 -2.835 -13.982 -3.586 350 1HB GLN 42 HB2 GLN 42 -3.489 -12.746 -0.932 351 2HB GLN 42 HB3 GLN 42 -3.368 -14.486 -1.113 352 1HG GLN 42 HG2 GLN 42 -1.065 -14.109 -2.075 353 2HG GLN 42 HG3 GLN 42 -1.218 -12.434 -1.558 354 1HE2 GLN 42 HE21 GLN 42 -0.073 -15.403 -0.741 355 2HE2 GLN 42 HE22 GLN 42 -0.007 -15.250 0.983 356 H ASP 43 HN ASP 43 -4.206 -15.401 -4.332 357 HA ASP 43 HA ASP 43 -7.032 -15.277 -3.539 358 1HB ASP 43 HB3 ASP 43 -5.895 -15.164 -6.185 359 2HB ASP 43 HB2 ASP 43 -6.749 -16.691 -6.017 360 H ALA 44 HN ALA 44 -7.413 -16.970 -2.245 361 HA ALA 44 HA ALA 44 -7.455 -19.086 -1.426 362 1HB ALA 44 HB1 ALA 44 -7.371 -20.754 -2.903 363 2HB ALA 44 HB2 ALA 44 -6.751 -19.606 -4.100 364 3HB ALA 44 HB3 ALA 44 -5.631 -20.529 -3.094 365 H SER 45 HN SER 45 -5.455 -20.912 -0.903 366 HA SER 45 HA SER 45 -3.278 -19.197 0.089 367 1HB SER 45 HB3 SER 45 -4.603 -21.477 1.580 368 2HB SER 45 HB2 SER 45 -3.223 -20.541 2.158 369 HG SER 45 HG SER 45 -4.847 -18.684 1.650 370 H THR 46 HN THR 46 -1.579 -19.660 -1.016 371 HA THR 46 HA THR 46 0.078 -20.694 -2.116 372 HB THR 46 HB THR 46 0.950 -22.830 -1.047 373 HG1 THR 46 HG1 THR 46 -1.446 -22.672 0.161 374 1HG2 THR 46 HG21 THR 46 1.132 -20.203 -0.186 375 2HG2 THR 46 HG22 THR 46 2.172 -21.551 0.275 376 3HG2 THR 46 HG23 THR 46 0.776 -21.132 1.269 377 H SER 47 HN SER 47 -2.334 -20.995 -3.355 378 HA SER 47 HA SER 47 -1.904 -23.530 -4.756 379 1HB SER 47 HB2 SER 47 -3.847 -23.756 -3.160 380 2HB SER 47 HB3 SER 47 -4.660 -22.475 -4.064 381 HG SER 47 HG SER 47 -5.151 -23.859 -5.564 382 HA PRO 48 HA PRO 48 -1.580 -21.025 -8.415 383 1HB PRO 48 HB2 PRO 48 -3.454 -23.131 -9.448 384 2HB PRO 48 HB3 PRO 48 -2.034 -22.417 -10.230 385 1HG PRO 48 HG3 PRO 48 -1.837 -24.791 -9.073 386 2HG PRO 48 HG2 PRO 48 -0.545 -23.598 -8.862 387 1HD PRO 48 HD2 PRO 48 -2.630 -24.490 -6.942 388 2HD PRO 48 HD3 PRO 48 -0.972 -23.939 -6.628 389 HA PRO 49 HA PRO 49 -5.604 -19.015 -7.974 390 1HB PRO 49 HB3 PRO 49 -4.655 -16.583 -7.356 391 2HB PRO 49 HB2 PRO 49 -4.666 -17.904 -6.174 392 1HG PRO 49 HG3 PRO 49 -2.403 -16.656 -7.580 393 2HG PRO 49 HG2 PRO 49 -2.414 -17.625 -6.103 394 1HD PRO 49 HD2 PRO 49 -1.816 -18.462 -8.815 395 2HD PRO 49 HD3 PRO 49 -1.654 -19.386 -7.309 396 H SER 50 HN SER 50 -5.918 -16.446 -8.631 397 HA SER 50 HA SER 50 -5.022 -16.110 -11.391 398 1HB SER 50 HB3 SER 50 -7.874 -15.951 -10.388 399 2HB SER 50 HB2 SER 50 -7.359 -15.333 -11.955 400 HG SER 50 HG SER 50 -7.030 -17.333 -12.674 401 H TYR 51 HN TYR 51 -3.586 -14.784 -9.946 402 HA TYR 51 HA TYR 51 -4.766 -12.349 -8.909 403 1HB TYR 51 HB2 TYR 51 -2.604 -11.865 -7.990 404 2HB TYR 51 HB3 TYR 51 -2.903 -13.578 -7.709 405 HD1 TYR 51 HD1 TYR 51 -1.967 -15.107 -9.798 406 HD2 TYR 51 HD2 TYR 51 -0.513 -11.291 -8.613 407 HE1 TYR 51 HE1 TYR 51 0.181 -15.585 -10.903 408 HE2 TYR 51 HE2 TYR 51 1.630 -11.755 -9.714 409 HH TYR 51 HH TYR 51 2.571 -14.811 -10.716 410 H THR 52 HN THR 52 -3.955 -10.225 -9.580 411 HA THR 52 HA THR 52 -3.916 -9.996 -12.409 412 HB THR 52 HB THR 52 -3.421 -7.559 -11.905 413 HG1 THR 52 HG1 THR 52 -3.921 -8.293 -9.216 414 1HG2 THR 52 HG21 THR 52 -5.781 -8.674 -11.939 415 2HG2 THR 52 HG22 THR 52 -5.569 -7.025 -11.334 416 3HG2 THR 52 HG23 THR 52 -5.724 -8.367 -10.197 417 H HIS 53 HN HIS 53 -2.231 -9.183 -13.743 418 HA HIS 53 HA HIS 53 0.277 -10.391 -13.211 419 1HB HIS 53 HB2 HIS 53 -0.509 -8.478 -15.416 420 2HB HIS 53 HB3 HIS 53 0.998 -9.373 -15.361 421 HD1 HIS 53 HD1 HIS 53 -2.744 -10.058 -15.503 422 HD2 HIS 53 HD2 HIS 53 0.877 -11.852 -16.483 423 HE1 HIS 53 HE1 HIS 53 -3.337 -12.154 -16.755 424 HE2 HIS 53 HE2 HIS 53 -1.133 -13.281 -17.243 425 H TYR 54 HN TYR 54 0.867 -9.447 -11.248 426 HA TYR 54 HA TYR 54 1.894 -7.996 -9.850 427 1HB TYR 54 HB3 TYR 54 3.439 -8.248 -12.256 428 2HB TYR 54 HB2 TYR 54 3.712 -6.670 -11.511 429 HD1 TYR 54 HD1 TYR 54 3.312 -10.210 -10.439 430 HD2 TYR 54 HD2 TYR 54 5.455 -6.567 -9.997 431 HE1 TYR 54 HE1 TYR 54 4.779 -11.290 -8.796 432 HE2 TYR 54 HE2 TYR 54 6.938 -7.633 -8.345 433 HH TYR 54 HH TYR 54 7.001 -9.521 -6.846 434 H SER 55 HN SER 55 -0.089 -6.754 -9.659 435 HA SER 55 HA SER 55 -0.107 -4.208 -11.058 436 1HB SER 55 HB2 SER 55 -2.035 -5.376 -9.032 437 2HB SER 55 HB3 SER 55 -2.257 -3.838 -9.877 438 HG SER 55 HG SER 55 -2.882 -6.294 -10.692 439 H SER 56 HN SER 56 1.218 -2.717 -10.306 440 HA SER 56 HA SER 56 1.287 -2.252 -7.409 441 1HB SER 56 HB3 SER 56 3.448 -3.197 -8.087 442 2HB SER 56 HB2 SER 56 3.600 -1.979 -9.354 443 HG SER 56 HG SER 56 3.533 -1.518 -6.547 444 H ILE 57 HN ILE 57 1.615 0.012 -6.841 445 HA ILE 57 HA ILE 57 0.831 1.818 -9.026 446 HB ILE 57 HB ILE 57 -0.272 1.656 -6.244 447 1HG1 ILE 57 HG13 ILE 57 -1.476 1.725 -9.026 448 2HG1 ILE 57 HG12 ILE 57 -1.423 0.351 -7.926 449 1HG2 ILE 57 HG21 ILE 57 -0.849 3.830 -6.158 450 2HG2 ILE 57 HG22 ILE 57 0.482 4.055 -7.306 451 3HG2 ILE 57 HG23 ILE 57 -1.184 3.917 -7.885 452 1HD1 ILE 57 HD11 ILE 57 -2.797 1.918 -6.368 453 2HD1 ILE 57 HD12 ILE 57 -3.171 2.747 -7.881 454 3HD1 ILE 57 HD13 ILE 57 -3.576 1.045 -7.680 455 H ARG 58 HN ARG 58 2.553 2.998 -9.453 456 HA ARG 58 HA ARG 58 4.628 3.611 -7.717 457 1HB ARG 58 HB2 ARG 58 5.456 5.127 -9.346 458 2HB ARG 58 HB3 ARG 58 4.704 3.804 -10.221 459 1HG ARG 58 HG3 ARG 58 3.320 6.418 -9.687 460 2HG ARG 58 HG2 ARG 58 4.298 6.112 -11.122 461 1HD ARG 58 HD2 ARG 58 1.847 4.557 -10.288 462 2HD ARG 58 HD3 ARG 58 1.910 5.775 -11.560 463 HE ARG 58 HE ARG 58 2.670 3.047 -11.776 464 1HH1 ARG 58 HH11 ARG 58 2.708 5.857 -14.064 465 2HH1 ARG 58 HH12 ARG 58 4.400 5.990 -13.681 466 1HH2 ARG 58 HH22 ARG 58 3.999 2.323 -13.538 467 2HH2 ARG 58 HH21 ARG 58 4.257 3.450 -14.840 468 H LEU 59 HN LEU 59 5.105 5.240 -6.387 469 HA LEU 59 HA LEU 59 3.005 6.674 -5.127 470 1HB LEU 59 HB2 LEU 59 5.713 6.036 -4.700 471 2HB LEU 59 HB3 LEU 59 5.503 7.765 -4.469 472 HG LEU 59 HG LEU 59 5.213 6.493 -2.410 473 1HD1 LEU 59 HD21 LEU 59 2.514 7.285 -2.480 474 2HD1 LEU 59 HD22 LEU 59 3.892 8.118 -1.750 475 3HD1 LEU 59 HD23 LEU 59 3.473 8.429 -3.439 476 1HD2 LEU 59 HD11 LEU 59 2.938 5.261 -2.265 477 2HD2 LEU 59 HD12 LEU 59 3.190 5.055 -4.002 478 3HD2 LEU 59 HD13 LEU 59 4.369 4.429 -2.849 479 H ASP 60 HN ASP 60 5.296 7.331 -7.606 480 HA ASP 60 HA ASP 60 5.566 10.032 -7.666 481 1HB ASP 60 HB2 ASP 60 6.663 8.272 -9.110 482 2HB ASP 60 HB3 ASP 60 5.230 8.382 -10.128 483 H LYS 61 HN LYS 61 2.934 8.250 -9.394 484 HA LYS 61 HA LYS 61 1.583 10.852 -9.462 485 1HB LYS 61 HB3 LYS 61 2.077 8.993 -11.747 486 2HB LYS 61 HB2 LYS 61 0.756 10.153 -11.788 487 1HG LYS 61 HG3 LYS 61 2.294 11.987 -11.536 488 2HG LYS 61 HG2 LYS 61 3.651 10.870 -11.340 489 1HD LYS 61 HD3 LYS 61 1.922 11.116 -13.792 490 2HD LYS 61 HD2 LYS 61 3.530 11.814 -13.607 491 1HE LYS 61 HE2 LYS 61 4.442 9.546 -13.267 492 2HE LYS 61 HE3 LYS 61 2.828 8.882 -13.561 493 1HZ LYS 61 HZ1 LYS 61 3.329 8.883 -15.700 494 2HZ LYS 61 HZ2 LYS 61 4.792 9.706 -15.432 495 3HZ LYS 61 HZ3 LYS 61 3.360 10.578 -15.671 496 H TYR 62 HN TYR 62 0.515 9.732 -7.560 497 HA TYR 62 HA TYR 62 -2.065 8.938 -8.535 498 1HB TYR 62 HB3 TYR 62 -2.322 6.875 -7.560 499 2HB TYR 62 HB2 TYR 62 -0.626 6.782 -8.001 500 HD1 TYR 62 HD1 TYR 62 1.102 7.371 -6.126 501 HD2 TYR 62 HD2 TYR 62 -3.000 6.507 -5.383 502 HE1 TYR 62 HE1 TYR 62 1.621 6.910 -3.763 503 HE2 TYR 62 HE2 TYR 62 -2.491 6.052 -3.030 504 HH TYR 62 HH TYR 62 -0.919 6.220 -1.406 505 H ASN 63 HN ASN 63 -3.700 9.607 -7.179 506 HA ASN 63 HA ASN 63 -2.798 11.256 -4.924 507 1HB ASN 63 HB2 ASN 63 -5.462 11.258 -6.380 508 2HB ASN 63 HB3 ASN 63 -5.019 12.332 -5.050 509 1HD2 ASN 63 HD21 ASN 63 -4.173 14.207 -5.532 510 2HD2 ASN 63 HD22 ASN 63 -3.270 14.579 -6.967 511 H ILE 64 HN ILE 64 -2.951 10.377 -2.993 512 HA ILE 64 HA ILE 64 -4.835 8.180 -2.651 513 HB ILE 64 HB ILE 64 -2.530 7.713 -2.098 514 1HG1 ILE 64 HG12 ILE 64 -2.869 6.890 0.255 515 2HG1 ILE 64 HG13 ILE 64 -4.421 7.741 0.258 516 1HG2 ILE 64 HG21 ILE 64 -2.060 10.125 -1.314 517 2HG2 ILE 64 HG22 ILE 64 -2.604 9.550 0.262 518 3HG2 ILE 64 HG23 ILE 64 -1.225 8.796 -0.528 519 1HD1 ILE 64 HD11 ILE 64 -4.388 6.193 -2.079 520 2HD1 ILE 64 HD12 ILE 64 -3.744 5.162 -0.799 521 3HD1 ILE 64 HD13 ILE 64 -5.327 5.917 -0.614 522 H ARG 65 HN ARG 65 -6.766 8.794 -2.067 523 HA ARG 65 HA ARG 65 -7.038 10.892 -0.024 524 1HB ARG 65 HB3 ARG 65 -9.223 9.827 -1.820 525 2HB ARG 65 HB2 ARG 65 -9.248 11.289 -0.834 526 1HG ARG 65 HG2 ARG 65 -7.592 10.799 -3.308 527 2HG ARG 65 HG3 ARG 65 -8.996 11.864 -3.150 528 1HD ARG 65 HD2 ARG 65 -6.368 12.213 -1.721 529 2HD ARG 65 HD3 ARG 65 -6.913 13.132 -3.123 530 HE ARG 65 HE ARG 65 -8.847 13.361 -1.120 531 1HH1 ARG 65 HH11 ARG 65 -5.404 14.244 -0.429 532 2HH1 ARG 65 HH12 ARG 65 -5.678 15.559 -1.553 533 1HH2 ARG 65 HH22 ARG 65 -8.447 16.288 -0.420 534 2HH2 ARG 65 HH21 ARG 65 -8.025 15.287 0.948 535 H GLN 66 HN GLN 66 -9.084 10.478 1.426 536 HA GLN 66 HA GLN 66 -9.628 7.674 1.886 537 1HB GLN 66 HB3 GLN 66 -8.685 7.448 4.042 538 2HB GLN 66 HB2 GLN 66 -7.412 8.128 3.043 539 1HG GLN 66 HG3 GLN 66 -9.158 9.766 4.860 540 2HG GLN 66 HG2 GLN 66 -7.614 9.082 5.346 541 1HE2 GLN 66 HE21 GLN 66 -8.990 11.818 4.500 542 2HE2 GLN 66 HE22 GLN 66 -7.550 12.652 4.030 543 H HIS 67 HN HIS 67 -11.413 7.290 3.128 544 HA HIS 67 HA HIS 67 -12.893 9.643 4.096 545 1HB HIS 67 HB3 HIS 67 -13.918 7.129 2.753 546 2HB HIS 67 HB2 HIS 67 -14.956 8.303 3.556 547 HD1 HIS 67 HD1 HIS 67 -14.529 10.893 2.490 548 HD2 HIS 67 HD2 HIS 67 -13.724 7.568 0.132 549 HE1 HIS 67 HE1 HIS 67 -14.626 11.704 0.111 550 HE2 HIS 67 HE2 HIS 67 -13.836 9.740 -1.266 551 H THR 68 HN THR 68 -12.203 9.405 6.213 552 HA THR 68 HA THR 68 -12.232 6.843 7.501 553 HB THR 68 HB THR 68 -11.869 8.597 9.515 554 HG1 THR 68 HG1 THR 68 -10.412 10.182 8.140 555 1HG2 THR 68 HG21 THR 68 -9.706 8.052 7.511 556 2HG2 THR 68 HG22 THR 68 -10.285 6.859 8.678 557 3HG2 THR 68 HG23 THR 68 -9.534 8.354 9.240 558 H THR 69 HN THR 69 -13.156 8.687 9.922 559 HA THR 69 HA THR 69 -14.917 8.870 11.257 560 HB THR 69 HB THR 69 -17.207 9.268 10.279 561 HG1 THR 69 HG1 THR 69 -16.060 8.381 8.044 562 1HG2 THR 69 HG21 THR 69 -16.515 11.341 10.569 563 2HG2 THR 69 HG22 THR 69 -16.126 11.349 8.854 564 3HG2 THR 69 HG23 THR 69 -14.882 10.957 10.037 565 H ASP 70 HN ASP 70 -14.338 6.837 11.952 566 HA ASP 70 HA ASP 70 -14.999 4.883 12.902 567 1HB ASP 70 HB3 ASP 70 -17.403 5.165 11.105 568 2HB ASP 70 HB2 ASP 70 -17.114 3.713 12.056 569 H GLU 71 HN GLU 71 -16.215 4.256 9.627 570 HA GLU 71 HA GLU 71 -14.235 2.142 9.435 571 1HB GLU 71 HB3 GLU 71 -16.678 2.781 7.800 572 2HB GLU 71 HB2 GLU 71 -15.522 1.543 7.329 573 1HG GLU 71 HG3 GLU 71 -16.941 1.588 9.972 574 2HG GLU 71 HG2 GLU 71 -17.525 0.711 8.559 575 H ASP 72 HN ASP 72 -12.413 2.992 9.030 576 HA ASP 72 HA ASP 72 -11.896 5.203 7.369 577 1HB ASP 72 HB3 ASP 72 -9.971 3.068 8.282 578 2HB ASP 72 HB2 ASP 72 -9.555 4.678 7.715 579 H THR 73 HN THR 73 -12.482 5.019 5.258 580 HA THR 73 HA THR 73 -11.450 2.724 3.740 581 HB THR 73 HB THR 73 -13.558 4.767 3.003 582 HG1 THR 73 HG1 THR 73 -14.872 3.447 3.900 583 1HG2 THR 73 HG21 THR 73 -13.540 2.372 1.391 584 2HG2 THR 73 HG22 THR 73 -12.052 3.296 1.216 585 3HG2 THR 73 HG23 THR 73 -13.609 4.066 0.910 586 H ILE 74 HN ILE 74 -9.626 3.032 2.663 587 HA ILE 74 HA ILE 74 -8.801 5.768 1.973 588 HB ILE 74 HB ILE 74 -7.057 3.359 1.573 589 1HG1 ILE 74 HG12 ILE 74 -7.903 3.118 3.855 590 2HG1 ILE 74 HG13 ILE 74 -6.204 3.596 3.877 591 1HG2 ILE 74 HG21 ILE 74 -5.950 5.184 0.760 592 2HG2 ILE 74 HG22 ILE 74 -6.712 6.288 1.907 593 3HG2 ILE 74 HG23 ILE 74 -5.406 5.228 2.434 594 1HD1 ILE 74 HD11 ILE 74 -6.808 5.176 5.318 595 2HD1 ILE 74 HD12 ILE 74 -7.597 5.990 3.960 596 3HD1 ILE 74 HD13 ILE 74 -8.520 4.904 5.000 597 H VAL 75 HN VAL 75 -8.478 6.357 -0.226 598 HA VAL 75 HA VAL 75 -9.140 4.271 -2.181 599 HB VAL 75 HB VAL 75 -10.418 5.920 -3.468 600 1HG1 VAL 75 HG11 VAL 75 -11.492 5.637 -0.667 601 2HG1 VAL 75 HG12 VAL 75 -12.435 5.880 -2.136 602 3HG1 VAL 75 HG13 VAL 75 -11.552 4.366 -1.895 603 1HG2 VAL 75 HG21 VAL 75 -10.027 7.702 -1.082 604 2HG2 VAL 75 HG22 VAL 75 -9.411 7.966 -2.702 605 3HG2 VAL 75 HG23 VAL 75 -11.143 8.021 -2.403 606 H LEU 76 HN LEU 76 -7.935 4.213 -3.973 607 HA LEU 76 HA LEU 76 -5.804 6.210 -4.204 608 1HB LEU 76 HB2 LEU 76 -6.021 3.478 -5.463 609 2HB LEU 76 HB3 LEU 76 -4.659 4.567 -5.625 610 HG LEU 76 HG LEU 76 -4.486 4.414 -3.057 611 1HD1 LEU 76 HD11 LEU 76 -6.641 2.531 -3.581 612 2HD1 LEU 76 HD12 LEU 76 -5.308 1.826 -2.656 613 3HD1 LEU 76 HD13 LEU 76 -6.127 3.275 -2.068 614 1HD2 LEU 76 HD21 LEU 76 -3.071 2.464 -3.190 615 2HD2 LEU 76 HD22 LEU 76 -3.839 1.981 -4.707 616 3HD2 LEU 76 HD23 LEU 76 -2.870 3.455 -4.636 617 H GLN 77 HN GLN 77 -6.171 7.784 -5.571 618 HA GLN 77 HA GLN 77 -7.804 7.243 -7.967 619 1HB GLN 77 HB2 GLN 77 -7.188 9.904 -6.648 620 2HB GLN 77 HB3 GLN 77 -8.265 9.646 -8.013 621 1HG GLN 77 HG2 GLN 77 -9.747 8.317 -6.563 622 2HG GLN 77 HG3 GLN 77 -8.679 8.640 -5.203 623 1HE2 GLN 77 HE21 GLN 77 -11.503 9.465 -6.367 624 2HE2 GLN 77 HE22 GLN 77 -11.549 11.182 -6.152 625 HA PRO 78 HA PRO 78 -3.827 7.795 -9.956 626 1HB PRO 78 HB2 PRO 78 -4.614 7.179 -12.456 627 2HB PRO 78 HB3 PRO 78 -4.397 5.944 -11.210 628 1HG PRO 78 HG3 PRO 78 -6.916 7.263 -12.157 629 2HG PRO 78 HG2 PRO 78 -6.610 5.545 -11.838 630 1HD PRO 78 HD2 PRO 78 -7.868 7.163 -10.060 631 2HD PRO 78 HD3 PRO 78 -6.865 5.795 -9.559 632 H GLN 79 HN GLN 79 -2.867 9.421 -11.037 633 HA GLN 79 HA GLN 79 -4.622 11.518 -12.154 634 1HB GLN 79 HB3 GLN 79 -2.899 13.148 -11.659 635 2HB GLN 79 HB2 GLN 79 -3.276 12.269 -10.184 636 1HG GLN 79 HG3 GLN 79 -1.288 10.888 -10.502 637 2HG GLN 79 HG2 GLN 79 -0.909 11.778 -11.969 638 1HE2 GLN 79 HE21 GLN 79 0.308 13.542 -11.795 639 2HE2 GLN 79 HE22 GLN 79 0.532 14.473 -10.364 640 H GLU 80 HN GLU 80 -2.683 9.024 -12.878 641 HA GLU 80 HA GLU 80 -1.632 10.193 -15.365 642 1HB GLU 80 HB3 GLU 80 0.037 9.142 -13.832 643 2HB GLU 80 HB2 GLU 80 -0.864 7.639 -13.914 644 1HG GLU 80 HG2 GLU 80 -0.440 7.547 -16.336 645 2HG GLU 80 HG3 GLU 80 0.555 8.999 -16.195 646 HA PRO 81 HA PRO 81 -4.763 7.851 -17.548 647 1HB PRO 81 HB3 PRO 81 -2.718 7.466 -19.664 648 2HB PRO 81 HB2 PRO 81 -4.320 8.200 -19.776 649 1HG PRO 81 HG3 PRO 81 -2.133 9.715 -19.857 650 2HG PRO 81 HG2 PRO 81 -3.569 10.247 -18.963 651 1HD PRO 81 HD3 PRO 81 -1.044 9.017 -17.919 652 2HD PRO 81 HD2 PRO 81 -1.952 10.402 -17.289 653 H GLY 82 HN GLY 82 -5.290 5.765 -17.162 654 1HA GLY 82 HA1 GLY 82 -4.809 3.401 -17.713 655 2HA GLY 82 HA2 GLY 82 -3.139 3.734 -17.272 656 H LEU 83 HN LEU 83 -2.508 3.638 -15.228 657 HA LEU 83 HA LEU 83 -2.843 2.257 -13.250 658 1HB LEU 83 HB3 LEU 83 -1.878 4.606 -13.137 659 2HB LEU 83 HB2 LEU 83 -3.447 5.107 -12.531 660 HG LEU 83 HG LEU 83 -3.171 3.569 -10.617 661 1HD1 LEU 83 HD11 LEU 83 -0.565 2.996 -11.988 662 2HD1 LEU 83 HD12 LEU 83 -0.740 2.796 -10.251 663 3HD1 LEU 83 HD13 LEU 83 -1.745 1.860 -11.351 664 1HD2 LEU 83 HD21 LEU 83 -1.591 5.926 -11.200 665 2HD2 LEU 83 HD22 LEU 83 -2.480 5.503 -9.740 666 3HD2 LEU 83 HD23 LEU 83 -0.842 4.906 -9.983 667 HA PRO 84 HA PRO 84 -7.218 1.424 -12.732 668 1HB PRO 84 HB2 PRO 84 -6.172 -0.440 -10.723 669 2HB PRO 84 HB3 PRO 84 -7.217 -0.750 -12.108 670 1HG PRO 84 HG2 PRO 84 -4.641 -1.505 -12.086 671 2HG PRO 84 HG3 PRO 84 -5.443 -0.961 -13.557 672 1HD PRO 84 HD2 PRO 84 -3.516 0.490 -11.815 673 2HD PRO 84 HD3 PRO 84 -3.700 0.540 -13.581 674 H SER 85 HN SER 85 -8.777 1.598 -11.114 675 HA SER 85 HA SER 85 -7.878 3.036 -8.701 676 1HB SER 85 HB2 SER 85 -10.571 3.343 -10.032 677 2HB SER 85 HB3 SER 85 -9.869 4.345 -8.767 678 HG SER 85 HG SER 85 -8.295 4.159 -10.990 679 H PHE 86 HN PHE 86 -8.121 1.892 -6.951 680 HA PHE 86 HA PHE 86 -10.567 0.343 -6.574 681 1HB PHE 86 HB3 PHE 86 -9.456 -1.590 -5.805 682 2HB PHE 86 HB2 PHE 86 -8.623 -1.147 -7.285 683 HD1 PHE 86 HD1 PHE 86 -6.560 0.618 -6.747 684 HD2 PHE 86 HD2 PHE 86 -8.129 -2.381 -4.160 685 HE1 PHE 86 HE1 PHE 86 -4.404 0.497 -5.578 686 HE2 PHE 86 HE2 PHE 86 -5.977 -2.485 -2.975 687 HZ PHE 86 HZ PHE 86 -4.106 -1.054 -3.689 688 H ARG 87 HN ARG 87 -11.200 0.187 -4.350 689 HA ARG 87 HA ARG 87 -9.842 2.201 -2.688 690 1HB ARG 87 HB3 ARG 87 -12.610 1.140 -2.143 691 2HB ARG 87 HB2 ARG 87 -11.865 2.579 -1.496 692 1HG ARG 87 HG3 ARG 87 -13.370 3.429 -3.028 693 2HG ARG 87 HG2 ARG 87 -11.865 3.402 -3.949 694 1HD ARG 87 HD3 ARG 87 -12.491 1.385 -5.050 695 2HD ARG 87 HD2 ARG 87 -13.901 1.197 -4.015 696 HE ARG 87 HE ARG 87 -14.108 3.651 -5.369 697 1HH1 ARG 87 HH12 ARG 87 -13.939 0.307 -6.869 698 2HH1 ARG 87 HH11 ARG 87 -15.513 0.256 -6.135 699 1HH2 ARG 87 HH22 ARG 87 -15.077 3.499 -7.907 700 2HH2 ARG 87 HH21 ARG 87 -16.515 2.888 -7.126 701 H ILE 88 HN ILE 88 -9.600 1.717 -0.381 702 HA ILE 88 HA ILE 88 -9.608 -1.175 0.127 703 HB ILE 88 HB ILE 88 -7.453 -0.881 1.409 704 1HG1 ILE 88 HG12 ILE 88 -7.252 1.640 -0.251 705 2HG1 ILE 88 HG13 ILE 88 -7.585 1.622 1.479 706 1HG2 ILE 88 HG21 ILE 88 -6.095 -1.185 -0.558 707 2HG2 ILE 88 HG22 ILE 88 -7.666 -1.954 -0.823 708 3HG2 ILE 88 HG23 ILE 88 -7.299 -0.398 -1.564 709 1HD1 ILE 88 HD11 ILE 88 -5.138 1.893 0.408 710 2HD1 ILE 88 HD12 ILE 88 -5.447 1.233 2.008 711 3HD1 ILE 88 HD13 ILE 88 -5.191 0.146 0.646 712 H LYS 89 HN LYS 89 -10.216 -1.864 2.029 713 HA LYS 89 HA LYS 89 -10.645 0.067 4.173 714 1HB LYS 89 HB3 LYS 89 -12.774 -1.025 4.735 715 2HB LYS 89 HB2 LYS 89 -12.831 -0.352 3.109 716 1HG LYS 89 HG2 LYS 89 -12.854 -2.409 2.098 717 2HG LYS 89 HG3 LYS 89 -12.117 -3.216 3.478 718 1HD LYS 89 HD3 LYS 89 -14.217 -2.730 4.767 719 2HD LYS 89 HD2 LYS 89 -14.929 -2.185 3.249 720 1HE LYS 89 HE2 LYS 89 -14.734 -4.332 2.280 721 2HE LYS 89 HE3 LYS 89 -13.698 -4.904 3.586 722 1HZ LYS 89 HZ1 LYS 89 -15.518 -4.853 5.091 723 2HZ LYS 89 HZ2 LYS 89 -16.048 -5.666 3.707 724 3HZ LYS 89 HZ3 LYS 89 -16.525 -4.060 3.980 725 HA PRO 90 HA PRO 90 -8.126 -3.384 5.722 726 1HB PRO 90 HB2 PRO 90 -6.829 -1.904 7.609 727 2HB PRO 90 HB3 PRO 90 -6.324 -1.960 5.922 728 1HG PRO 90 HG3 PRO 90 -7.857 0.141 7.367 729 2HG PRO 90 HG2 PRO 90 -6.630 0.316 6.109 730 1HD PRO 90 HD2 PRO 90 -9.332 0.520 5.668 731 2HD PRO 90 HD3 PRO 90 -8.154 0.064 4.426 732 H LYS 91 HN LYS 91 -10.217 -4.200 6.427 733 HA LYS 91 HA LYS 91 -10.879 -3.406 9.175 734 1HB LYS 91 HB2 LYS 91 -12.515 -3.567 6.952 735 2HB LYS 91 HB3 LYS 91 -12.873 -5.050 7.839 736 1HG LYS 91 HG2 LYS 91 -12.875 -2.320 9.098 737 2HG LYS 91 HG3 LYS 91 -14.320 -3.080 8.418 738 1HD LYS 91 HD2 LYS 91 -14.094 -4.937 9.970 739 2HD LYS 91 HD3 LYS 91 -12.596 -4.255 10.607 740 1HE LYS 91 HE3 LYS 91 -15.303 -2.938 10.768 741 2HE LYS 91 HE2 LYS 91 -14.532 -3.842 12.070 742 1HZ LYS 91 HZ1 LYS 91 -13.919 -1.741 12.613 743 2HZ LYS 91 HZ2 LYS 91 -13.891 -1.192 11.002 744 3HZ LYS 91 HZ3 LYS 91 -12.614 -2.144 11.606 745 H ASP 92 HN ASP 92 -9.671 -5.988 7.269 746 HA ASP 92 HA ASP 92 -10.406 -8.088 9.098 747 1HB ASP 92 HB2 ASP 92 -8.598 -9.346 7.791 748 2HB ASP 92 HB3 ASP 92 -10.113 -8.955 6.984 749 H PHE 93 HN PHE 93 -8.682 -5.666 9.713 750 HA PHE 93 HA PHE 93 -6.730 -5.098 10.764 751 1HB PHE 93 HB3 PHE 93 -7.159 -5.378 13.030 752 2HB PHE 93 HB2 PHE 93 -8.714 -5.574 12.240 753 HD1 PHE 93 HD1 PHE 93 -9.383 -8.065 11.691 754 HD2 PHE 93 HD2 PHE 93 -6.649 -6.854 14.731 755 HE1 PHE 93 HE1 PHE 93 -9.822 -10.148 12.912 756 HE2 PHE 93 HE2 PHE 93 -7.094 -8.943 15.950 757 HZ PHE 93 HZ PHE 93 -8.678 -10.591 15.043 758 H GLU 94 HN GLU 94 -4.780 -5.628 10.040 759 HA GLU 94 HA GLU 94 -3.763 -8.290 10.007 760 1HB GLU 94 HB3 GLU 94 -2.853 -6.667 8.457 761 2HB GLU 94 HB2 GLU 94 -2.418 -5.583 9.772 762 1HG GLU 94 HG3 GLU 94 -0.432 -6.602 9.013 763 2HG GLU 94 HG2 GLU 94 -0.821 -7.315 10.574 764 H THR 95 HN THR 95 -3.544 -5.559 12.211 765 HA THR 95 HA THR 95 -2.606 -7.344 14.310 766 HB THR 95 HB THR 95 -1.242 -4.702 13.798 767 HG1 THR 95 HG1 THR 95 -0.895 -7.077 12.545 768 1HG2 THR 95 HG21 THR 95 -0.117 -5.053 15.666 769 2HG2 THR 95 HG22 THR 95 0.306 -6.694 15.163 770 3HG2 THR 95 HG23 THR 95 -1.217 -6.393 16.010 771 H SER 96 HN SER 96 -4.913 -6.950 14.865 772 HA SER 96 HA SER 96 -6.622 -5.923 15.945 773 1HB SER 96 HB3 SER 96 -4.949 -6.474 17.741 774 2HB SER 96 HB2 SER 96 -4.387 -4.819 17.648 775 HG SER 96 HG SER 96 -7.134 -5.225 17.968 776 H GLU 97 HN GLU 97 -5.991 -4.633 13.767 777 HA GLU 97 HA GLU 97 -6.147 -2.667 12.560 778 1HB GLU 97 HB2 GLU 97 -7.843 -2.349 14.961 779 2HB GLU 97 HB3 GLU 97 -7.819 -1.085 13.728 780 1HG GLU 97 HG2 GLU 97 -8.365 -2.926 12.061 781 2HG GLU 97 HG3 GLU 97 -8.716 -3.945 13.458 782 H TYR 98 HN TYR 98 -4.394 -2.657 15.271 783 HA TYR 98 HA TYR 98 -4.053 -0.055 16.099 784 1HB TYR 98 HB2 TYR 98 -2.994 -2.232 16.989 785 2HB TYR 98 HB3 TYR 98 -1.706 -1.901 15.828 786 HD1 TYR 98 HD1 TYR 98 -3.714 0.232 18.125 787 HD2 TYR 98 HD2 TYR 98 0.134 -1.047 16.853 788 HE1 TYR 98 HE1 TYR 98 -2.667 1.838 19.682 789 HE2 TYR 98 HE2 TYR 98 1.191 0.543 18.398 790 HH TYR 98 HH TYR 98 0.438 2.815 19.475 791 H VAL 99 HN VAL 99 -2.421 -1.768 13.544 792 HA VAL 99 HA VAL 99 -0.827 0.423 12.728 793 HB VAL 99 HB VAL 99 -0.172 -1.844 12.206 794 1HG1 VAL 99 HG11 VAL 99 -1.400 -3.348 11.009 795 2HG1 VAL 99 HG12 VAL 99 -2.689 -2.431 11.788 796 3HG1 VAL 99 HG13 VAL 99 -2.255 -2.097 10.118 797 1HG2 VAL 99 HG21 VAL 99 0.851 -1.282 10.298 798 2HG2 VAL 99 HG22 VAL 99 -0.665 -0.938 9.473 799 3HG2 VAL 99 HG23 VAL 99 0.056 0.272 10.535 800 H ARG 100 HN ARG 100 -3.978 -0.819 11.684 801 HA ARG 100 HA ARG 100 -4.423 0.732 9.420 802 1HB ARG 100 HB2 ARG 100 -5.992 -0.985 9.871 803 2HB ARG 100 HB3 ARG 100 -6.287 -0.404 11.505 804 1HG ARG 100 HG2 ARG 100 -7.239 1.702 10.324 805 2HG ARG 100 HG3 ARG 100 -7.335 0.649 8.907 806 1HD ARG 100 HD2 ARG 100 -8.591 -0.984 10.345 807 2HD ARG 100 HD3 ARG 100 -8.648 0.245 11.597 808 HE ARG 100 HE ARG 100 -9.684 1.311 9.208 809 1HH1 ARG 100 HH12 ARG 100 -10.926 -1.164 11.682 810 2HH1 ARG 100 HH11 ARG 100 -11.602 0.363 12.168 811 1HH2 ARG 100 HH22 ARG 100 -11.989 0.743 8.511 812 2HH2 ARG 100 HH21 ARG 100 -12.970 0.794 9.944 813 H LYS 101 HN LYS 101 -5.419 1.440 12.762 814 HA LYS 101 HA LYS 101 -6.395 4.019 12.204 815 1HB LYS 101 HB3 LYS 101 -5.490 2.689 14.725 816 2HB LYS 101 HB2 LYS 101 -6.133 4.329 14.689 817 1HG LYS 101 HG3 LYS 101 -7.546 1.818 13.813 818 2HG LYS 101 HG2 LYS 101 -7.879 2.765 15.254 819 1HD LYS 101 HD2 LYS 101 -8.487 4.692 13.821 820 2HD LYS 101 HD3 LYS 101 -8.213 3.679 12.404 821 1HE LYS 101 HE2 LYS 101 -9.970 2.164 13.103 822 2HE LYS 101 HE3 LYS 101 -10.250 3.117 14.555 823 1HZ LYS 101 HZ1 LYS 101 -11.049 4.926 13.244 824 2HZ LYS 101 HZ2 LYS 101 -11.832 3.533 12.695 825 3HZ LYS 101 HZ3 LYS 101 -10.560 4.189 11.795 826 H ALA 102 HN ALA 102 -3.236 2.811 12.853 827 HA ALA 102 HA ALA 102 -2.112 5.396 13.461 828 1HB ALA 102 HB1 ALA 102 -1.101 2.613 13.340 829 2HB ALA 102 HB2 ALA 102 0.055 3.938 13.241 830 3HB ALA 102 HB3 ALA 102 -1.000 3.795 14.645 831 H TRP 103 HN TRP 103 -1.100 2.979 11.067 832 HA TRP 103 HA TRP 103 0.420 4.686 9.555 833 1HB TRP 103 HB2 TRP 103 0.908 2.902 8.294 834 2HB TRP 103 HB3 TRP 103 0.144 2.065 9.627 835 HD1 TRP 103 HD1 TRP 103 -2.683 1.566 9.042 836 HE1 TRP 103 HE1 TRP 103 -3.562 0.547 6.828 837 HE3 TRP 103 HE3 TRP 103 1.285 2.630 6.022 838 HZ2 TRP 103 HZ2 TRP 103 -2.644 0.256 4.147 839 HZ3 TRP 103 HZ3 TRP 103 1.209 1.943 3.666 840 HH2 TRP 103 HH2 TRP 103 -0.721 0.791 2.760 841 H LEU 104 HN LEU 104 -3.011 4.454 9.464 842 HA LEU 104 HA LEU 104 -3.421 5.447 6.810 843 1HB LEU 104 HB2 LEU 104 -5.022 5.029 9.232 844 2HB LEU 104 HB3 LEU 104 -5.529 6.414 8.286 845 HG LEU 104 HG LEU 104 -6.138 5.092 6.455 846 1HD1 LEU 104 HD11 LEU 104 -3.938 3.702 6.734 847 2HD1 LEU 104 HD12 LEU 104 -4.999 2.580 7.576 848 3HD1 LEU 104 HD13 LEU 104 -5.331 3.015 5.902 849 1HD2 LEU 104 HD21 LEU 104 -6.727 3.448 8.900 850 2HD2 LEU 104 HD22 LEU 104 -7.627 4.869 8.377 851 3HD2 LEU 104 HD23 LEU 104 -7.618 3.417 7.375 852 H ARG 105 HN ARG 105 -3.320 6.816 9.981 853 HA ARG 105 HA ARG 105 -3.621 9.526 9.461 854 1HB ARG 105 HB2 ARG 105 -3.602 8.694 11.754 855 2HB ARG 105 HB3 ARG 105 -1.916 8.220 11.603 856 1HG ARG 105 HG3 ARG 105 -1.252 10.551 11.410 857 2HG ARG 105 HG2 ARG 105 -2.942 11.038 11.485 858 1HD ARG 105 HD3 ARG 105 -3.156 10.286 13.734 859 2HD ARG 105 HD2 ARG 105 -1.574 9.496 13.676 860 HE ARG 105 HE ARG 105 -0.652 11.475 14.279 861 1HH1 ARG 105 HH12 ARG 105 -3.991 12.342 13.386 862 2HH1 ARG 105 HH11 ARG 105 -3.474 13.869 12.724 863 1HH2 ARG 105 HH22 ARG 105 -0.792 14.390 13.481 864 2HH2 ARG 105 HH21 ARG 105 -1.500 14.195 15.058 865 H ASP 106 HN ASP 106 -0.829 7.461 9.072 866 HA ASP 106 HA ASP 106 1.066 9.535 8.514 867 1HB ASP 106 HB2 ASP 106 0.994 6.564 8.014 868 2HB ASP 106 HB3 ASP 106 2.240 7.556 7.261 869 H ILE 107 HN ILE 107 -0.420 7.128 6.436 870 HA ILE 107 HA ILE 107 0.047 7.849 3.911 871 HB ILE 107 HB ILE 107 -2.297 6.654 5.220 872 1HG1 ILE 107 HG12 ILE 107 -1.961 4.915 3.575 873 2HG1 ILE 107 HG13 ILE 107 -0.870 5.939 2.651 874 1HG2 ILE 107 HG21 ILE 107 -2.923 8.498 3.272 875 2HG2 ILE 107 HG22 ILE 107 -2.906 6.969 2.407 876 3HG2 ILE 107 HG23 ILE 107 -3.943 7.169 3.816 877 1HD1 ILE 107 HD11 ILE 107 -0.183 5.356 5.472 878 2HD1 ILE 107 HD12 ILE 107 0.004 4.076 4.273 879 3HD1 ILE 107 HD13 ILE 107 0.859 5.603 4.068 880 H ALA 108 HN ALA 108 -2.453 9.445 5.859 881 HA ALA 108 HA ALA 108 -3.342 11.198 3.847 882 1HB ALA 108 HB1 ALA 108 -3.833 12.432 6.291 883 2HB ALA 108 HB2 ALA 108 -4.915 11.357 5.398 884 3HB ALA 108 HB3 ALA 108 -3.837 10.693 6.639 885 H GLU 109 HN GLU 109 -1.071 11.713 6.522 886 HA GLU 109 HA GLU 109 -0.539 14.424 5.797 887 1HB GLU 109 HB2 GLU 109 0.793 12.556 7.744 888 2HB GLU 109 HB3 GLU 109 1.199 14.260 7.578 889 1HG GLU 109 HG2 GLU 109 -1.478 13.133 8.377 890 2HG GLU 109 HG3 GLU 109 -0.302 13.895 9.451 891 H GLU 110 HN GLU 110 1.330 11.401 5.488 892 HA GLU 110 HA GLU 110 2.895 12.532 3.325 893 1HB GLU 110 HB3 GLU 110 4.046 11.760 5.995 894 2HB GLU 110 HB2 GLU 110 5.005 11.817 4.524 895 1HG GLU 110 HG2 GLU 110 4.544 14.212 4.325 896 2HG GLU 110 HG3 GLU 110 3.601 14.136 5.819 897 H GLN 111 HN GLN 111 4.611 10.880 2.674 898 HA GLN 111 HA GLN 111 4.289 8.117 3.312 899 1HB GLN 111 HB2 GLN 111 3.205 9.168 0.715 900 2HB GLN 111 HB3 GLN 111 3.711 7.496 0.901 901 1HG GLN 111 HG2 GLN 111 2.039 7.122 2.576 902 2HG GLN 111 HG3 GLN 111 1.605 8.835 2.579 903 1HE2 GLN 111 HE21 GLN 111 2.098 8.536 -0.463 904 2HE2 GLN 111 HE22 GLN 111 0.733 7.673 -1.066 905 H GLU 112 HN GLU 112 5.022 9.694 0.237 906 HA GLU 112 HA GLU 112 7.626 8.497 0.089 907 1HB GLU 112 HB3 GLU 112 7.839 9.724 -2.009 908 2HB GLU 112 HB2 GLU 112 6.252 8.959 -1.921 909 1HG GLU 112 HG2 GLU 112 6.577 11.783 -1.024 910 2HG GLU 112 HG3 GLU 112 6.492 11.413 -2.746 911 H LYS 113 HN LYS 113 6.270 11.253 1.497 912 HA LYS 113 HA LYS 113 8.446 13.049 1.362 913 1HB LYS 113 HB3 LYS 113 6.125 12.796 3.272 914 2HB LYS 113 HB2 LYS 113 7.351 14.052 3.452 915 1HG LYS 113 HG3 LYS 113 5.627 15.107 2.328 916 2HG LYS 113 HG2 LYS 113 6.761 14.693 1.046 917 1HD LYS 113 HD2 LYS 113 5.439 12.712 0.509 918 2HD LYS 113 HD3 LYS 113 4.304 13.123 1.799 919 1HE LYS 113 HE3 LYS 113 3.859 15.271 0.611 920 2HE LYS 113 HE2 LYS 113 4.888 14.699 -0.701 921 1HZ LYS 113 HZ1 LYS 113 2.238 13.733 0.136 922 2HZ LYS 113 HZ2 LYS 113 3.316 12.669 -0.625 923 3HZ LYS 113 HZ3 LYS 113 2.822 14.080 -1.417 924 H TYR 114 HN TYR 114 7.342 11.904 4.503 925 HA TYR 114 HA TYR 114 8.478 11.340 6.373 926 1HB TYR 114 HB2 TYR 114 9.430 9.508 4.262 927 2HB TYR 114 HB3 TYR 114 10.372 9.526 5.749 928 HD1 TYR 114 HD1 TYR 114 6.751 9.619 4.846 929 HD2 TYR 114 HD2 TYR 114 9.800 7.873 7.230 930 HE1 TYR 114 HE1 TYR 114 5.071 8.178 5.920 931 HE2 TYR 114 HE2 TYR 114 8.139 6.432 8.323 932 HH TYR 114 HH TYR 114 4.692 6.635 7.507 933 H ALA 115 HN ALA 115 9.329 13.665 5.147 934 HA ALA 115 HA ALA 115 11.896 14.058 6.413 935 1HB ALA 115 HB1 ALA 115 11.925 13.477 3.709 936 2HB ALA 115 HB2 ALA 115 11.905 15.243 3.739 937 3HB ALA 115 HB3 ALA 115 13.182 14.361 4.587 938 H ALA 116 HN ALA 116 9.874 14.955 7.501 939 HA ALA 116 HA ALA 116 8.221 16.910 6.810 940 1HB ALA 116 HB1 ALA 116 9.772 16.917 9.381 941 2HB ALA 116 HB2 ALA 116 8.208 17.686 9.091 942 3HB ALA 116 HB3 ALA 116 8.355 15.930 9.039 943 H GLU 117 HN GLU 117 8.484 18.584 5.614 944 HA GLU 117 HA GLU 117 10.851 20.247 5.674 945 1HB GLU 117 HB3 GLU 117 9.652 19.800 3.549 946 2HB GLU 117 HB2 GLU 117 8.212 20.541 4.225 947 1HG GLU 117 HG2 GLU 117 9.537 22.655 4.470 948 2HG GLU 117 HG3 GLU 117 10.783 21.883 3.486 949 H ARG 118 HN ARG 118 10.833 22.440 6.425 950 HA ARG 118 HA ARG 118 8.949 22.936 8.570 951 1HB ARG 118 HB2 ARG 118 11.621 23.567 8.101 952 2HB ARG 118 HB3 ARG 118 10.791 25.108 7.938 953 1HG ARG 118 HG2 ARG 118 10.158 23.414 10.295 954 2HG ARG 118 HG3 ARG 118 11.707 24.257 10.252 955 1HD ARG 118 HD3 ARG 118 9.061 25.622 9.818 956 2HD ARG 118 HD2 ARG 118 9.854 25.505 11.387 957 HE ARG 118 HE ARG 118 11.620 26.570 9.431 958 1HH1 ARG 118 HH12 ARG 118 9.968 27.664 12.312 959 2HH1 ARG 118 HH11 ARG 118 8.834 28.515 11.316 960 1HH2 ARG 118 HH21 ARG 118 11.629 29.015 9.052 961 2HH2 ARG 118 HH22 ARG 118 11.796 29.515 10.713 962 H ASP 119 HN ASP 119 10.026 24.612 5.645 963 HA ASP 119 HA ASP 119 7.441 25.334 4.828 964 1HB ASP 119 HB2 ASP 119 7.527 27.755 5.115 965 2HB ASP 119 HB3 ASP 119 7.618 26.944 6.675 Start of MODEL 8 1 1H MET 1 HT1 MET 1 7.290 -11.258 21.228 2 2H MET 1 HT2 MET 1 7.961 -9.793 20.638 3 3H MET 1 HT3 MET 1 7.549 -9.946 22.294 4 HA MET 1 HA MET 1 9.720 -10.276 22.441 5 1HB MET 1 HB3 MET 1 8.601 -12.982 21.680 6 2HB MET 1 HB2 MET 1 10.110 -12.733 22.547 7 1HG MET 1 HG2 MET 1 7.319 -12.164 23.482 8 2HG MET 1 HG3 MET 1 8.495 -13.300 24.146 9 1HE MET 1 HE1 MET 1 7.590 -10.180 26.534 10 2HE MET 1 HE2 MET 1 6.782 -11.477 25.657 11 3HE MET 1 HE3 MET 1 8.025 -11.859 26.853 12 H GLY 2 HN GLY 2 11.129 -9.400 21.067 13 1HA GLY 2 HA1 GLY 2 12.773 -9.500 19.392 14 2HA GLY 2 HA2 GLY 2 11.988 -10.938 18.734 15 H ASP 3 HN ASP 3 9.629 -10.429 18.049 16 HA ASP 3 HA ASP 3 8.298 -9.511 16.447 17 1HB ASP 3 HB2 ASP 3 9.263 -6.995 17.835 18 2HB ASP 3 HB3 ASP 3 7.877 -7.074 16.747 19 H THR 4 HN THR 4 8.753 -6.764 15.377 20 HA THR 4 HA THR 4 10.463 -7.561 13.184 21 HB THR 4 HB THR 4 9.728 -5.126 12.458 22 HG1 THR 4 HG1 THR 4 8.145 -4.285 13.578 23 1HG2 THR 4 HG21 THR 4 7.969 -7.550 12.506 24 2HG2 THR 4 HG22 THR 4 8.943 -6.912 11.181 25 3HG2 THR 4 HG23 THR 4 7.501 -6.043 11.704 26 H GLY 5 HN GLY 5 10.464 -5.310 15.855 27 1HA GLY 5 HA2 GLY 5 12.344 -4.339 16.852 28 2HA GLY 5 HA1 GLY 5 13.315 -4.873 15.488 29 H LYS 6 HN LYS 6 12.293 -3.823 13.338 30 HA LYS 6 HA LYS 6 11.716 -0.987 13.723 31 1HB LYS 6 HB2 LYS 6 14.072 -2.071 12.164 32 2HB LYS 6 HB3 LYS 6 13.456 -0.433 11.966 33 1HG LYS 6 HG3 LYS 6 13.953 0.017 14.327 34 2HG LYS 6 HG2 LYS 6 14.608 -1.612 14.488 35 1HD LYS 6 HD2 LYS 6 16.414 -0.045 14.189 36 2HD LYS 6 HD3 LYS 6 16.289 -1.064 12.753 37 1HE LYS 6 HE3 LYS 6 15.019 0.733 11.632 38 2HE LYS 6 HE2 LYS 6 15.247 1.752 13.054 39 1HZ LYS 6 HZ1 LYS 6 17.684 1.514 12.698 40 2HZ LYS 6 HZ2 LYS 6 16.892 2.334 11.445 41 3HZ LYS 6 HZ3 LYS 6 17.358 0.719 11.233 42 H LEU 7 HN LEU 7 11.805 -0.143 11.144 43 HA LEU 7 HA LEU 7 9.759 -1.822 9.870 44 1HB LEU 7 HB3 LEU 7 10.543 1.055 9.347 45 2HB LEU 7 HB2 LEU 7 9.217 0.212 8.572 46 HG LEU 7 HG LEU 7 9.418 0.847 11.525 47 1HD1 LEU 7 HD21 LEU 7 8.232 2.272 9.229 48 2HD1 LEU 7 HD22 LEU 7 7.276 2.204 10.706 49 3HD1 LEU 7 HD23 LEU 7 8.905 2.890 10.745 50 1HD2 LEU 7 HD11 LEU 7 7.845 -1.076 10.173 51 2HD2 LEU 7 HD12 LEU 7 7.794 -0.608 11.866 52 3HD2 LEU 7 HD13 LEU 7 6.776 0.234 10.701 53 H GLY 8 HN GLY 8 11.066 -3.367 8.886 54 1HA GLY 8 HA1 GLY 8 13.389 -2.758 7.353 55 2HA GLY 8 HA2 GLY 8 12.511 -4.282 7.336 56 H ARG 9 HN ARG 9 10.065 -2.597 6.698 57 HA ARG 9 HA ARG 9 10.492 -2.546 3.802 58 1HB ARG 9 HB2 ARG 9 7.925 -2.343 5.382 59 2HB ARG 9 HB3 ARG 9 8.065 -2.488 3.633 60 1HG ARG 9 HG2 ARG 9 8.928 -4.544 5.632 61 2HG ARG 9 HG3 ARG 9 7.464 -4.599 4.652 62 1HD ARG 9 HD2 ARG 9 8.831 -4.607 2.618 63 2HD ARG 9 HD3 ARG 9 10.293 -4.548 3.596 64 HE ARG 9 HE ARG 9 8.820 -6.767 4.430 65 1HH1 ARG 9 HH11 ARG 9 11.196 -6.011 1.795 66 2HH1 ARG 9 HH12 ARG 9 10.090 -6.919 0.765 67 1HH2 ARG 9 HH21 ARG 9 10.094 -8.904 3.811 68 2HH2 ARG 9 HH22 ARG 9 9.255 -9.064 2.291 69 H ILE 10 HN ILE 10 11.278 -0.610 5.944 70 HA ILE 10 HA ILE 10 11.528 1.524 6.402 71 HB ILE 10 HB ILE 10 12.420 1.517 4.121 72 1HG1 ILE 10 HG12 ILE 10 11.096 4.126 4.836 73 2HG1 ILE 10 HG13 ILE 10 12.465 3.459 5.713 74 1HG2 ILE 10 HG21 ILE 10 10.504 1.115 2.765 75 2HG2 ILE 10 HG22 ILE 10 9.692 2.562 3.379 76 3HG2 ILE 10 HG23 ILE 10 11.126 2.712 2.350 77 1HD1 ILE 10 HD11 ILE 10 13.283 5.067 4.150 78 2HD1 ILE 10 HD12 ILE 10 13.749 3.471 3.577 79 3HD1 ILE 10 HD13 ILE 10 12.390 4.310 2.833 80 H ILE 11 HN ILE 11 8.437 1.339 4.534 81 HA ILE 11 HA ILE 11 7.511 3.501 6.303 82 HB ILE 11 HB ILE 11 6.119 2.403 3.853 83 1HG1 ILE 11 HG13 ILE 11 7.481 5.088 4.139 84 2HG1 ILE 11 HG12 ILE 11 8.273 3.674 3.449 85 1HG2 ILE 11 HG21 ILE 11 5.222 5.010 4.636 86 2HG2 ILE 11 HG22 ILE 11 4.296 3.519 4.478 87 3HG2 ILE 11 HG23 ILE 11 5.093 3.918 6.002 88 1HD1 ILE 11 HD11 ILE 11 7.355 4.103 1.488 89 2HD1 ILE 11 HD12 ILE 11 5.746 3.958 2.205 90 3HD1 ILE 11 HD13 ILE 11 6.555 5.527 2.173 91 H ARG 12 HN ARG 12 5.415 1.100 4.808 92 HA ARG 12 HA ARG 12 4.947 -0.209 7.389 93 1HB ARG 12 HB2 ARG 12 3.365 1.947 6.487 94 2HB ARG 12 HB3 ARG 12 2.407 0.502 6.235 95 1HG ARG 12 HG3 ARG 12 1.809 1.239 8.356 96 2HG ARG 12 HG2 ARG 12 2.940 -0.079 8.656 97 1HD ARG 12 HD3 ARG 12 4.745 1.667 8.872 98 2HD ARG 12 HD2 ARG 12 3.464 2.880 8.831 99 HE ARG 12 HE ARG 12 3.096 0.836 10.835 100 1HH1 ARG 12 HH11 ARG 12 3.817 4.375 10.461 101 2HH1 ARG 12 HH12 ARG 12 5.340 3.866 11.142 102 1HH2 ARG 12 HH21 ARG 12 4.014 1.622 13.182 103 2HH2 ARG 12 HH22 ARG 12 2.804 2.865 13.173 104 H HIS 13 HN HIS 13 3.692 -2.171 7.221 105 HA HIS 13 HA HIS 13 2.901 -3.023 4.569 106 1HB HIS 13 HB2 HIS 13 4.337 -4.936 4.420 107 2HB HIS 13 HB3 HIS 13 5.355 -3.536 4.737 108 HD1 HIS 13 HD1 HIS 13 5.970 -3.268 7.453 109 HD2 HIS 13 HD2 HIS 13 4.868 -7.025 6.046 110 HE1 HIS 13 HE1 HIS 13 6.771 -4.903 9.183 111 HE2 HIS 13 HE2 HIS 13 5.884 -7.132 8.422 112 H ASP 14 HN ASP 14 0.914 -3.758 4.917 113 HA ASP 14 HA ASP 14 0.490 -5.823 6.922 114 1HB ASP 14 HB2 ASP 14 -0.946 -3.166 7.011 115 2HB ASP 14 HB3 ASP 14 -1.650 -4.622 7.698 116 H ALA 15 HN ALA 15 -1.909 -6.609 6.766 117 HA ALA 15 HA ALA 15 -2.383 -6.997 3.921 118 1HB ALA 15 HB1 ALA 15 -2.549 -9.067 4.848 119 2HB ALA 15 HB2 ALA 15 -3.182 -8.454 6.383 120 3HB ALA 15 HB3 ALA 15 -4.231 -8.576 4.975 121 H PHE 16 HN PHE 16 -4.048 -6.165 2.794 122 HA PHE 16 HA PHE 16 -6.153 -4.775 4.314 123 1HB PHE 16 HB2 PHE 16 -4.620 -3.810 1.923 124 2HB PHE 16 HB3 PHE 16 -6.296 -3.307 2.144 125 HD1 PHE 16 HD1 PHE 16 -3.204 -3.597 4.215 126 HD2 PHE 16 HD2 PHE 16 -6.659 -1.357 3.156 127 HE1 PHE 16 HE1 PHE 16 -2.509 -1.810 5.751 128 HE2 PHE 16 HE2 PHE 16 -5.979 0.440 4.680 129 HZ PHE 16 HZ PHE 16 -3.900 0.217 5.984 130 H GLN 17 HN GLN 17 -7.822 -6.071 4.163 131 HA GLN 17 HA GLN 17 -8.413 -7.573 1.757 132 1HB GLN 17 HB3 GLN 17 -8.708 -8.617 3.958 133 2HB GLN 17 HB2 GLN 17 -9.858 -7.370 4.412 134 1HG GLN 17 HG3 GLN 17 -11.390 -8.155 2.682 135 2HG GLN 17 HG2 GLN 17 -10.246 -9.409 2.233 136 1HE2 GLN 17 HE21 GLN 17 -10.652 -11.322 3.091 137 2HE2 GLN 17 HE22 GLN 17 -11.732 -11.605 4.383 138 H VAL 18 HN VAL 18 -8.893 -5.997 0.237 139 HA VAL 18 HA VAL 18 -11.485 -4.704 0.665 140 HB VAL 18 HB VAL 18 -9.576 -2.952 -0.660 141 1HG1 VAL 18 HG21 VAL 18 -11.250 -2.382 1.756 142 2HG1 VAL 18 HG22 VAL 18 -10.747 -1.289 0.471 143 3HG1 VAL 18 HG23 VAL 18 -11.959 -2.518 0.153 144 1HG2 VAL 18 HG11 VAL 18 -7.967 -3.760 0.882 145 2HG2 VAL 18 HG12 VAL 18 -8.564 -2.239 1.547 146 3HG2 VAL 18 HG13 VAL 18 -9.132 -3.773 2.196 147 H TRP 19 HN TRP 19 -12.664 -4.346 -0.963 148 HA TRP 19 HA TRP 19 -12.637 -5.659 -3.361 149 1HB TRP 19 HB2 TRP 19 -13.852 -2.940 -2.852 150 2HB TRP 19 HB3 TRP 19 -14.423 -4.154 -3.992 151 HD1 TRP 19 HD1 TRP 19 -15.929 -6.071 -3.089 152 HE1 TRP 19 HE1 TRP 19 -17.137 -6.474 -0.861 153 HE3 TRP 19 HE3 TRP 19 -13.519 -2.569 -0.222 154 HZ2 TRP 19 HZ2 TRP 19 -17.056 -5.479 1.779 155 HZ3 TRP 19 HZ3 TRP 19 -14.136 -2.378 2.150 156 HH2 TRP 19 HH2 TRP 19 -15.863 -3.805 3.130 157 H GLU 20 HN GLU 20 -11.169 -5.464 -5.056 158 HA GLU 20 HA GLU 20 -9.692 -2.998 -5.363 159 1HB GLU 20 HB2 GLU 20 -8.845 -5.416 -5.765 160 2HB GLU 20 HB3 GLU 20 -9.736 -5.331 -7.277 161 1HG GLU 20 HG3 GLU 20 -8.021 -3.029 -6.948 162 2HG GLU 20 HG2 GLU 20 -7.107 -4.531 -6.835 163 H GLY 21 HN GLY 21 -9.627 -2.843 -8.197 164 1HA GLY 21 HA1 GLY 21 -12.021 -1.376 -8.662 165 2HA GLY 21 HA2 GLY 21 -10.782 -1.756 -9.862 166 H ASP 22 HN ASP 22 -13.685 -1.856 -10.123 167 HA ASP 22 HA ASP 22 -15.184 -3.137 -11.237 168 1HB ASP 22 HB3 ASP 22 -12.917 -5.139 -11.415 169 2HB ASP 22 HB2 ASP 22 -14.474 -5.321 -12.224 170 H GLU 23 HN GLU 23 -14.473 -3.407 -8.260 171 HA GLU 23 HA GLU 23 -15.724 -4.109 -6.553 172 1HB GLU 23 HB3 GLU 23 -17.520 -4.624 -8.089 173 2HB GLU 23 HB2 GLU 23 -16.878 -6.242 -8.309 174 1HG GLU 23 HG2 GLU 23 -18.701 -6.313 -6.751 175 2HG GLU 23 HG3 GLU 23 -17.198 -6.662 -5.899 176 HA PRO 24 HA PRO 24 -14.201 -9.055 -6.285 177 1HB PRO 24 HB3 PRO 24 -11.753 -8.050 -7.682 178 2HB PRO 24 HB2 PRO 24 -12.410 -9.691 -7.609 179 1HG PRO 24 HG2 PRO 24 -12.849 -7.804 -9.633 180 2HG PRO 24 HG3 PRO 24 -13.764 -9.305 -9.384 181 1HD PRO 24 HD3 PRO 24 -14.776 -6.697 -9.172 182 2HD PRO 24 HD2 PRO 24 -15.553 -8.161 -8.545 183 HA PRO 25 HA PRO 25 -12.071 -7.094 -2.798 184 1HB PRO 25 HB3 PRO 25 -13.092 -8.990 -1.014 185 2HB PRO 25 HB2 PRO 25 -13.777 -7.405 -1.352 186 1HG PRO 25 HG2 PRO 25 -14.894 -9.939 -2.001 187 2HG PRO 25 HG3 PRO 25 -15.523 -8.341 -2.409 188 1HD PRO 25 HD3 PRO 25 -14.025 -10.241 -4.096 189 2HD PRO 25 HD2 PRO 25 -15.108 -8.913 -4.567 190 H LYS 26 HN LYS 26 -10.022 -7.548 -2.403 191 HA LYS 26 HA LYS 26 -9.223 -10.382 -2.447 192 1HB LYS 26 HB3 LYS 26 -7.625 -8.065 -3.510 193 2HB LYS 26 HB2 LYS 26 -7.180 -9.762 -3.570 194 1HG LYS 26 HG2 LYS 26 -8.916 -10.237 -5.131 195 2HG LYS 26 HG3 LYS 26 -9.599 -8.618 -4.938 196 1HD LYS 26 HD3 LYS 26 -7.325 -7.765 -5.682 197 2HD LYS 26 HD2 LYS 26 -7.006 -9.416 -6.214 198 1HE LYS 26 HE2 LYS 26 -8.889 -9.348 -7.712 199 2HE LYS 26 HE3 LYS 26 -9.378 -7.771 -7.089 200 1HZ LYS 26 HZ1 LYS 26 -6.828 -7.342 -7.857 201 2HZ LYS 26 HZ2 LYS 26 -8.198 -6.970 -8.790 202 3HZ LYS 26 HZ3 LYS 26 -7.368 -8.431 -9.032 203 H LEU 27 HN LEU 27 -7.382 -10.950 -1.401 204 HA LEU 27 HA LEU 27 -6.890 -9.507 1.098 205 1HB LEU 27 HB3 LEU 27 -7.386 -12.089 0.703 206 2HB LEU 27 HB2 LEU 27 -5.661 -12.152 0.381 207 HG LEU 27 HG LEU 27 -6.969 -11.261 2.971 208 1HD1 LEU 27 HD11 LEU 27 -6.311 -13.316 3.875 209 2HD1 LEU 27 HD12 LEU 27 -6.970 -13.731 2.297 210 3HD1 LEU 27 HD13 LEU 27 -5.225 -13.658 2.530 211 1HD2 LEU 27 HD21 LEU 27 -4.048 -11.675 2.395 212 2HD2 LEU 27 HD22 LEU 27 -4.833 -10.099 2.402 213 3HD2 LEU 27 HD23 LEU 27 -4.776 -11.061 3.881 214 H ARG 28 HN ARG 28 -5.708 -7.808 -0.031 215 HA ARG 28 HA ARG 28 -3.210 -8.587 -1.302 216 1HB ARG 28 HB2 ARG 28 -3.004 -6.281 -1.990 217 2HB ARG 28 HB3 ARG 28 -4.611 -6.877 -2.369 218 1HG ARG 28 HG3 ARG 28 -5.559 -5.686 -0.526 219 2HG ARG 28 HG2 ARG 28 -3.968 -5.211 0.051 220 1HD ARG 28 HD2 ARG 28 -4.998 -3.354 -1.074 221 2HD ARG 28 HD3 ARG 28 -3.633 -3.934 -2.044 222 HE ARG 28 HE ARG 28 -5.102 -4.477 -3.723 223 1HH1 ARG 28 HH11 ARG 28 -7.341 -4.059 -0.816 224 2HH1 ARG 28 HH12 ARG 28 -8.026 -2.922 -1.925 225 1HH2 ARG 28 HH22 ARG 28 -7.088 -4.671 -4.739 226 2HH2 ARG 28 HH21 ARG 28 -8.515 -4.903 -3.757 227 H TYR 29 HN TYR 29 -1.251 -8.342 -0.537 228 HA TYR 29 HA TYR 29 -0.907 -7.441 2.230 229 1HB TYR 29 HB2 TYR 29 0.870 -8.944 0.297 230 2HB TYR 29 HB3 TYR 29 1.467 -8.335 1.834 231 HD1 TYR 29 HD1 TYR 29 1.922 -11.036 1.615 232 HD2 TYR 29 HD2 TYR 29 -1.788 -9.166 2.522 233 HE1 TYR 29 HE1 TYR 29 1.156 -13.097 2.709 234 HE2 TYR 29 HE2 TYR 29 -2.560 -11.223 3.616 235 HH TYR 29 HH TYR 29 -1.508 -13.207 4.735 236 H VAL 30 HN VAL 30 -0.954 -5.238 2.111 237 HA VAL 30 HA VAL 30 0.359 -3.850 -0.014 238 HB VAL 30 HB VAL 30 -0.899 -2.700 2.467 239 1HG1 VAL 30 HG21 VAL 30 0.462 -1.181 1.014 240 2HG1 VAL 30 HG22 VAL 30 -0.629 -1.564 -0.312 241 3HG1 VAL 30 HG23 VAL 30 -1.230 -0.730 1.115 242 1HG2 VAL 30 HG11 VAL 30 -2.134 -3.742 -0.058 243 2HG2 VAL 30 HG12 VAL 30 -2.620 -4.020 1.610 244 3HG2 VAL 30 HG13 VAL 30 -2.898 -2.449 0.867 245 H PHE 31 HN PHE 31 2.452 -3.513 -0.034 246 HA PHE 31 HA PHE 31 3.842 -2.876 2.482 247 1HB PHE 31 HB3 PHE 31 5.197 -3.830 -0.041 248 2HB PHE 31 HB2 PHE 31 5.840 -3.790 1.596 249 HD1 PHE 31 HD1 PHE 31 4.375 -5.220 3.298 250 HD2 PHE 31 HD2 PHE 31 4.691 -5.893 -0.875 251 HE1 PHE 31 HE1 PHE 31 3.829 -7.590 3.656 252 HE2 PHE 31 HE2 PHE 31 4.142 -8.274 -0.541 253 HZ PHE 31 HZ PHE 31 3.714 -9.126 1.732 254 H LEU 32 HN LEU 32 4.296 -0.756 2.614 255 HA LEU 32 HA LEU 32 4.482 0.748 0.106 256 1HB LEU 32 HB2 LEU 32 4.664 2.234 2.643 257 2HB LEU 32 HB3 LEU 32 3.795 2.605 1.166 258 HG LEU 32 HG LEU 32 2.844 0.631 3.242 259 1HD1 LEU 32 HD11 LEU 32 2.503 2.548 4.392 260 2HD1 LEU 32 HD12 LEU 32 2.561 3.555 2.937 261 3HD1 LEU 32 HD13 LEU 32 1.091 2.659 3.328 262 1HD2 LEU 32 HD21 LEU 32 1.075 0.222 1.928 263 2HD2 LEU 32 HD22 LEU 32 0.988 1.888 1.370 264 3HD2 LEU 32 HD23 LEU 32 2.139 0.776 0.624 265 H PHE 33 HN PHE 33 6.451 1.073 -0.681 266 HA PHE 33 HA PHE 33 8.706 1.143 1.212 267 1HB PHE 33 HB2 PHE 33 8.603 0.627 -1.776 268 2HB PHE 33 HB3 PHE 33 10.098 0.770 -0.866 269 HD1 PHE 33 HD1 PHE 33 9.728 -1.568 -2.434 270 HD2 PHE 33 HD2 PHE 33 8.292 -0.748 1.478 271 HE1 PHE 33 HE1 PHE 33 9.704 -3.976 -1.948 272 HE2 PHE 33 HE2 PHE 33 8.259 -3.158 1.974 273 HZ PHE 33 HZ PHE 33 8.977 -4.778 0.261 274 H ARG 34 HN ARG 34 10.472 2.779 0.603 275 HA ARG 34 HA ARG 34 9.223 5.341 0.192 276 1HB ARG 34 HB3 ARG 34 11.262 4.758 1.718 277 2HB ARG 34 HB2 ARG 34 12.196 4.948 0.238 278 1HG ARG 34 HG2 ARG 34 11.104 7.211 -0.004 279 2HG ARG 34 HG3 ARG 34 10.536 7.003 1.652 280 1HD ARG 34 HD3 ARG 34 12.615 8.287 1.583 281 2HD ARG 34 HD2 ARG 34 12.839 6.744 2.423 282 HE ARG 34 HE ARG 34 13.499 6.381 -0.268 283 1HH1 ARG 34 HH12 ARG 34 15.450 7.609 2.699 284 2HH1 ARG 34 HH11 ARG 34 15.394 8.986 1.632 285 1HH2 ARG 34 HH22 ARG 34 16.209 5.871 -0.223 286 2HH2 ARG 34 HH21 ARG 34 16.455 7.548 -0.626 287 H ASN 35 HN ASN 35 8.549 4.309 -1.949 288 HA ASN 35 HA ASN 35 9.845 5.727 -4.030 289 1HB ASN 35 HB3 ASN 35 11.418 3.863 -3.993 290 2HB ASN 35 HB2 ASN 35 10.107 2.701 -4.011 291 1HD2 ASN 35 HD21 ASN 35 10.018 1.731 -5.880 292 2HD2 ASN 35 HD22 ASN 35 9.942 2.522 -7.407 293 H LYS 36 HN LYS 36 7.896 2.824 -3.405 294 HA LYS 36 HA LYS 36 5.521 4.073 -4.422 295 1HB LYS 36 HB2 LYS 36 5.115 2.355 -6.164 296 2HB LYS 36 HB3 LYS 36 6.475 3.388 -6.539 297 1HG LYS 36 HG3 LYS 36 8.028 1.689 -6.111 298 2HG LYS 36 HG2 LYS 36 6.838 0.711 -5.243 299 1HD LYS 36 HD2 LYS 36 5.602 0.366 -7.306 300 2HD LYS 36 HD3 LYS 36 6.750 1.387 -8.174 301 1HE LYS 36 HE2 LYS 36 8.537 -0.174 -7.751 302 2HE LYS 36 HE3 LYS 36 7.485 -1.172 -6.754 303 1HZ LYS 36 HZ1 LYS 36 6.638 -0.653 -9.503 304 2HZ LYS 36 HZ2 LYS 36 6.448 -2.049 -8.558 305 3HZ LYS 36 HZ3 LYS 36 7.945 -1.707 -9.282 306 H ILE 37 HN ILE 37 3.682 2.437 -4.384 307 HA ILE 37 HA ILE 37 3.989 0.856 -1.946 308 HB ILE 37 HB ILE 37 1.487 1.697 -3.425 309 1HG1 ILE 37 HG12 ILE 37 2.722 2.689 -0.847 310 2HG1 ILE 37 HG13 ILE 37 2.691 3.571 -2.371 311 1HG2 ILE 37 HG21 ILE 37 1.328 0.772 -0.627 312 2HG2 ILE 37 HG22 ILE 37 0.231 0.491 -1.973 313 3HG2 ILE 37 HG23 ILE 37 1.692 -0.470 -1.817 314 1HD1 ILE 37 HD11 ILE 37 0.468 4.092 -2.171 315 2HD1 ILE 37 HD12 ILE 37 0.124 2.691 -1.157 316 3HD1 ILE 37 HD13 ILE 37 0.968 4.078 -0.480 317 H MET 38 HN MET 38 4.691 -1.125 -2.401 318 HA MET 38 HA MET 38 3.712 -2.544 -4.758 319 1HB MET 38 HB2 MET 38 5.907 -3.221 -2.788 320 2HB MET 38 HB3 MET 38 5.455 -4.232 -4.154 321 1HG MET 38 HG3 MET 38 6.139 -2.565 -5.703 322 2HG MET 38 HG2 MET 38 6.331 -1.380 -4.423 323 1HE MET 38 HE1 MET 38 9.056 -4.862 -5.462 324 2HE MET 38 HE2 MET 38 8.022 -5.220 -4.073 325 3HE MET 38 HE3 MET 38 7.298 -4.783 -5.623 326 H PHE 39 HN PHE 39 1.614 -2.954 -4.090 327 HA PHE 39 HA PHE 39 1.301 -4.697 -1.763 328 1HB PHE 39 HB2 PHE 39 -1.086 -4.178 -1.861 329 2HB PHE 39 HB3 PHE 39 -0.116 -2.721 -1.737 330 HD1 PHE 39 HD1 PHE 39 -2.702 -4.365 -3.457 331 HD2 PHE 39 HD2 PHE 39 0.355 -1.461 -3.988 332 HE1 PHE 39 HE1 PHE 39 -3.901 -3.484 -5.424 333 HE2 PHE 39 HE2 PHE 39 -0.831 -0.571 -5.954 334 HZ PHE 39 HZ PHE 39 -2.955 -1.583 -6.674 335 H THR 40 HN THR 40 0.981 -6.758 -1.999 336 HA THR 40 HA THR 40 0.516 -7.795 -4.694 337 HB THR 40 HB THR 40 1.358 -9.943 -3.643 338 HG1 THR 40 HG1 THR 40 2.259 -8.293 -1.544 339 1HG2 THR 40 HG21 THR 40 3.279 -7.663 -3.287 340 2HG2 THR 40 HG22 THR 40 2.816 -8.274 -4.870 341 3HG2 THR 40 HG23 THR 40 3.643 -9.332 -3.722 342 H GLU 41 HN GLU 41 -1.556 -8.123 -5.152 343 HA GLU 41 HA GLU 41 -3.466 -8.726 -3.093 344 1HB GLU 41 HB2 GLU 41 -3.762 -8.427 -6.071 345 2HB GLU 41 HB3 GLU 41 -5.103 -8.707 -4.969 346 1HG GLU 41 HG3 GLU 41 -4.537 -6.622 -3.795 347 2HG GLU 41 HG2 GLU 41 -3.247 -6.345 -4.952 348 H GLN 42 HN GLN 42 -4.600 -10.466 -2.742 349 HA GLN 42 HA GLN 42 -4.003 -12.886 -4.290 350 1HB GLN 42 HB3 GLN 42 -2.906 -13.010 -2.088 351 2HB GLN 42 HB2 GLN 42 -4.430 -12.650 -1.293 352 1HG GLN 42 HG2 GLN 42 -5.359 -14.757 -2.082 353 2HG GLN 42 HG3 GLN 42 -3.855 -15.105 -2.941 354 1HE2 GLN 42 HE21 GLN 42 -2.583 -16.457 -1.948 355 2HE2 GLN 42 HE22 GLN 42 -2.506 -16.712 -0.236 356 H ASP 43 HN ASP 43 -5.796 -13.940 -5.004 357 HA ASP 43 HA ASP 43 -8.348 -12.676 -4.545 358 1HB ASP 43 HB2 ASP 43 -7.614 -13.481 -6.801 359 2HB ASP 43 HB3 ASP 43 -7.836 -15.127 -6.211 360 H ALA 44 HN ALA 44 -10.308 -13.853 -4.067 361 HA ALA 44 HA ALA 44 -9.964 -15.602 -1.799 362 1HB ALA 44 HB1 ALA 44 -12.675 -15.336 -2.247 363 2HB ALA 44 HB2 ALA 44 -11.674 -14.359 -1.164 364 3HB ALA 44 HB3 ALA 44 -11.989 -13.809 -2.813 365 H SER 45 HN SER 45 -9.092 -16.925 -3.973 366 HA SER 45 HA SER 45 -9.194 -18.915 -5.030 367 1HB SER 45 HB2 SER 45 -11.364 -19.423 -3.041 368 2HB SER 45 HB3 SER 45 -10.580 -20.664 -4.003 369 HG SER 45 HG SER 45 -9.104 -20.692 -2.515 370 H THR 46 HN THR 46 -11.473 -16.701 -5.703 371 HA THR 46 HA THR 46 -13.187 -18.561 -7.198 372 HB THR 46 HB THR 46 -14.333 -16.190 -7.687 373 HG1 THR 46 HG1 THR 46 -13.243 -14.741 -6.579 374 1HG2 THR 46 HG21 THR 46 -15.599 -17.862 -6.640 375 2HG2 THR 46 HG22 THR 46 -15.627 -16.480 -5.539 376 3HG2 THR 46 HG23 THR 46 -14.583 -17.848 -5.202 377 H SER 47 HN SER 47 -10.924 -15.943 -7.586 378 HA SER 47 HA SER 47 -10.798 -16.514 -10.477 379 1HB SER 47 HB2 SER 47 -10.192 -13.857 -9.122 380 2HB SER 47 HB3 SER 47 -10.260 -14.168 -10.857 381 HG SER 47 HG SER 47 -12.352 -13.884 -10.806 382 HA PRO 48 HA PRO 48 -6.350 -17.203 -10.025 383 1HB PRO 48 HB2 PRO 48 -5.506 -14.389 -10.543 384 2HB PRO 48 HB3 PRO 48 -4.928 -15.881 -11.265 385 1HG PRO 48 HG2 PRO 48 -6.545 -14.239 -12.598 386 2HG PRO 48 HG3 PRO 48 -6.674 -16.010 -12.760 387 1HD PRO 48 HD3 PRO 48 -8.418 -14.095 -11.273 388 2HD PRO 48 HD2 PRO 48 -8.852 -15.597 -12.101 389 HA PRO 49 HA PRO 49 -6.317 -15.777 -5.682 390 1HB PRO 49 HB3 PRO 49 -4.912 -17.894 -4.738 391 2HB PRO 49 HB2 PRO 49 -6.633 -18.019 -5.171 392 1HG PRO 49 HG2 PRO 49 -4.219 -18.693 -6.852 393 2HG PRO 49 HG3 PRO 49 -5.631 -19.715 -6.490 394 1HD PRO 49 HD2 PRO 49 -5.510 -18.368 -8.768 395 2HD PRO 49 HD3 PRO 49 -7.029 -18.462 -7.872 396 H SER 50 HN SER 50 -4.322 -15.076 -7.846 397 HA SER 50 HA SER 50 -2.287 -14.056 -6.088 398 1HB SER 50 HB3 SER 50 -0.541 -14.926 -7.929 399 2HB SER 50 HB2 SER 50 -0.946 -15.877 -6.497 400 HG SER 50 HG SER 50 -1.921 -17.302 -7.706 401 H TYR 51 HN TYR 51 -3.150 -12.047 -6.657 402 HA TYR 51 HA TYR 51 -3.126 -11.351 -9.467 403 1HB TYR 51 HB2 TYR 51 -5.003 -10.674 -7.918 404 2HB TYR 51 HB3 TYR 51 -3.870 -9.585 -7.129 405 HD1 TYR 51 HD1 TYR 51 -3.269 -7.466 -8.150 406 HD2 TYR 51 HD2 TYR 51 -5.738 -10.242 -10.233 407 HE1 TYR 51 HE1 TYR 51 -3.820 -5.730 -9.790 408 HE2 TYR 51 HE2 TYR 51 -6.294 -8.506 -11.884 409 HH TYR 51 HH TYR 51 -5.614 -5.203 -11.399 410 H THR 52 HN THR 52 -1.009 -11.584 -7.033 411 HA THR 52 HA THR 52 0.468 -9.215 -7.030 412 HB THR 52 HB THR 52 0.727 -10.724 -5.222 413 HG1 THR 52 HG1 THR 52 2.931 -11.030 -5.119 414 1HG2 THR 52 HG21 THR 52 1.165 -12.949 -5.244 415 2HG2 THR 52 HG22 THR 52 2.032 -12.881 -6.786 416 3HG2 THR 52 HG23 THR 52 0.271 -12.800 -6.759 417 H HIS 53 HN HIS 53 0.735 -8.537 -9.095 418 HA HIS 53 HA HIS 53 3.110 -8.886 -10.383 419 1HB HIS 53 HB3 HIS 53 2.264 -11.221 -10.928 420 2HB HIS 53 HB2 HIS 53 0.989 -10.458 -11.879 421 HD1 HIS 53 HD1 HIS 53 4.793 -10.491 -11.757 422 HD2 HIS 53 HD2 HIS 53 1.675 -10.068 -14.470 423 HE1 HIS 53 HE1 HIS 53 5.877 -10.235 -14.015 424 HE2 HIS 53 HE2 HIS 53 3.979 -9.792 -15.599 425 H TYR 54 HN TYR 54 -0.285 -8.321 -10.544 426 HA TYR 54 HA TYR 54 0.054 -6.349 -12.682 427 1HB TYR 54 HB2 TYR 54 -2.507 -7.353 -11.428 428 2HB TYR 54 HB3 TYR 54 -2.362 -6.394 -12.891 429 HD1 TYR 54 HD1 TYR 54 -1.380 -9.697 -11.477 430 HD2 TYR 54 HD2 TYR 54 -2.358 -7.445 -14.944 431 HE1 TYR 54 HE1 TYR 54 -1.344 -11.755 -12.820 432 HE2 TYR 54 HE2 TYR 54 -2.322 -9.496 -16.295 433 HH TYR 54 HH TYR 54 -2.577 -12.433 -15.177 434 H SER 55 HN SER 55 -0.807 -6.684 -9.311 435 HA SER 55 HA SER 55 -1.825 -4.042 -9.025 436 1HB SER 55 HB3 SER 55 -1.634 -4.638 -6.543 437 2HB SER 55 HB2 SER 55 -2.680 -5.660 -7.532 438 HG SER 55 HG SER 55 -0.263 -6.231 -6.292 439 H SER 56 HN SER 56 -0.384 -2.436 -9.523 440 HA SER 56 HA SER 56 1.882 -2.147 -7.699 441 1HB SER 56 HB2 SER 56 2.143 -1.944 -10.708 442 2HB SER 56 HB3 SER 56 3.413 -1.576 -9.541 443 HG SER 56 HG SER 56 2.501 -4.008 -10.461 444 H ILE 57 HN ILE 57 1.911 -0.167 -6.879 445 HA ILE 57 HA ILE 57 0.818 2.072 -8.459 446 HB ILE 57 HB ILE 57 0.436 1.440 -5.535 447 1HG1 ILE 57 HG13 ILE 57 -1.208 0.605 -7.200 448 2HG1 ILE 57 HG12 ILE 57 -1.916 1.746 -6.055 449 1HG2 ILE 57 HG21 ILE 57 -0.705 3.978 -6.289 450 2HG2 ILE 57 HG22 ILE 57 0.338 3.578 -4.927 451 3HG2 ILE 57 HG23 ILE 57 1.049 3.988 -6.495 452 1HD1 ILE 57 HD11 ILE 57 -1.674 3.531 -7.767 453 2HD1 ILE 57 HD12 ILE 57 -1.130 2.293 -8.911 454 3HD1 ILE 57 HD13 ILE 57 -2.767 2.223 -8.236 455 H ARG 58 HN ARG 58 2.012 3.979 -8.392 456 HA ARG 58 HA ARG 58 4.490 3.851 -6.830 457 1HB ARG 58 HB2 ARG 58 5.808 4.788 -8.516 458 2HB ARG 58 HB3 ARG 58 4.846 3.588 -9.357 459 1HG ARG 58 HG3 ARG 58 4.188 6.506 -9.297 460 2HG ARG 58 HG2 ARG 58 5.154 5.723 -10.556 461 1HD ARG 58 HD2 ARG 58 2.365 4.851 -9.850 462 2HD ARG 58 HD3 ARG 58 2.718 6.053 -11.087 463 HE ARG 58 HE ARG 58 2.903 3.242 -11.370 464 1HH1 ARG 58 HH12 ARG 58 3.532 5.936 -13.616 465 2HH1 ARG 58 HH11 ARG 58 5.108 5.989 -12.902 466 1HH2 ARG 58 HH21 ARG 58 3.517 2.951 -14.060 467 2HH2 ARG 58 HH22 ARG 58 5.025 2.583 -13.261 468 H LEU 59 HN LEU 59 4.902 5.639 -5.549 469 HA LEU 59 HA LEU 59 2.858 7.630 -5.474 470 1HB LEU 59 HB2 LEU 59 5.368 7.470 -3.817 471 2HB LEU 59 HB3 LEU 59 3.836 8.230 -3.404 472 HG LEU 59 HG LEU 59 3.992 5.279 -3.856 473 1HD1 LEU 59 HD21 LEU 59 5.210 6.751 -1.661 474 2HD1 LEU 59 HD22 LEU 59 4.029 5.548 -1.132 475 3HD1 LEU 59 HD23 LEU 59 5.387 5.060 -2.147 476 1HD2 LEU 59 HD11 LEU 59 2.193 6.971 -2.147 477 2HD2 LEU 59 HD12 LEU 59 1.814 6.404 -3.778 478 3HD2 LEU 59 HD13 LEU 59 2.036 5.242 -2.464 479 H ASP 60 HN ASP 60 4.100 7.756 -7.821 480 HA ASP 60 HA ASP 60 6.050 9.925 -7.682 481 1HB ASP 60 HB2 ASP 60 6.759 8.117 -9.118 482 2HB ASP 60 HB3 ASP 60 5.210 8.159 -9.958 483 H LYS 61 HN LYS 61 3.109 8.980 -9.434 484 HA LYS 61 HA LYS 61 2.186 11.736 -9.261 485 1HB LYS 61 HB2 LYS 61 2.537 10.273 -11.881 486 2HB LYS 61 HB3 LYS 61 1.530 11.705 -11.701 487 1HG LYS 61 HG3 LYS 61 3.446 13.020 -11.063 488 2HG LYS 61 HG2 LYS 61 4.466 11.588 -11.078 489 1HD LYS 61 HD2 LYS 61 4.155 11.342 -13.463 490 2HD LYS 61 HD3 LYS 61 3.061 12.723 -13.486 491 1HE LYS 61 HE3 LYS 61 5.282 13.387 -14.238 492 2HE LYS 61 HE2 LYS 61 4.890 14.174 -12.704 493 1HZ LYS 61 HZ1 LYS 61 7.043 13.454 -12.370 494 2HZ LYS 61 HZ2 LYS 61 6.830 12.015 -13.241 495 3HZ LYS 61 HZ3 LYS 61 6.164 12.170 -11.698 496 H TYR 62 HN TYR 62 0.728 10.723 -7.768 497 HA TYR 62 HA TYR 62 -1.566 9.509 -9.138 498 1HB TYR 62 HB3 TYR 62 -1.783 7.731 -7.605 499 2HB TYR 62 HB2 TYR 62 -0.055 7.779 -7.936 500 HD1 TYR 62 HD1 TYR 62 -2.613 7.993 -5.427 501 HD2 TYR 62 HD2 TYR 62 1.477 8.916 -6.222 502 HE1 TYR 62 HE1 TYR 62 -2.199 8.247 -3.021 503 HE2 TYR 62 HE2 TYR 62 1.895 9.150 -3.802 504 HH TYR 62 HH TYR 62 0.559 8.113 -1.556 505 H ASN 63 HN ASN 63 -3.516 9.492 -7.536 506 HA ASN 63 HA ASN 63 -3.375 11.821 -5.746 507 1HB ASN 63 HB3 ASN 63 -4.540 12.372 -7.959 508 2HB ASN 63 HB2 ASN 63 -5.783 11.230 -7.475 509 1HD2 ASN 63 HD21 ASN 63 -4.983 14.393 -7.523 510 2HD2 ASN 63 HD22 ASN 63 -5.830 14.974 -6.128 511 H ILE 64 HN ILE 64 -4.098 11.306 -3.781 512 HA ILE 64 HA ILE 64 -5.634 8.806 -3.552 513 HB ILE 64 HB ILE 64 -3.345 8.699 -2.608 514 1HG1 ILE 64 HG12 ILE 64 -5.509 8.533 -0.507 515 2HG1 ILE 64 HG13 ILE 64 -5.230 7.316 -1.751 516 1HG2 ILE 64 HG21 ILE 64 -4.374 10.756 -0.659 517 2HG2 ILE 64 HG22 ILE 64 -2.832 9.907 -0.543 518 3HG2 ILE 64 HG23 ILE 64 -3.141 11.018 -1.884 519 1HD1 ILE 64 HD11 ILE 64 -3.988 6.366 -0.135 520 2HD1 ILE 64 HD12 ILE 64 -2.765 7.498 -0.721 521 3HD1 ILE 64 HD13 ILE 64 -3.724 7.894 0.706 522 H ARG 65 HN ARG 65 -7.274 8.662 -2.085 523 HA ARG 65 HA ARG 65 -8.198 11.071 -0.710 524 1HB ARG 65 HB3 ARG 65 -9.927 9.346 -2.494 525 2HB ARG 65 HB2 ARG 65 -10.492 10.688 -1.501 526 1HG ARG 65 HG2 ARG 65 -8.555 10.919 -3.799 527 2HG ARG 65 HG3 ARG 65 -10.287 11.285 -3.868 528 1HD ARG 65 HD2 ARG 65 -8.335 12.621 -2.012 529 2HD ARG 65 HD3 ARG 65 -8.839 13.280 -3.566 530 HE ARG 65 HE ARG 65 -11.178 12.788 -2.235 531 1HH1 ARG 65 HH11 ARG 65 -8.553 15.403 -1.609 532 2HH1 ARG 65 HH12 ARG 65 -8.771 14.628 -0.056 533 1HH2 ARG 65 HH21 ARG 65 -12.015 15.396 -1.504 534 2HH2 ARG 65 HH22 ARG 65 -11.697 14.627 0.029 535 H GLN 66 HN GLN 66 -10.705 9.819 0.022 536 HA GLN 66 HA GLN 66 -10.357 7.236 1.144 537 1HB GLN 66 HB3 GLN 66 -10.178 7.887 3.527 538 2HB GLN 66 HB2 GLN 66 -8.755 8.389 2.605 539 1HG GLN 66 HG3 GLN 66 -9.581 10.652 2.502 540 2HG GLN 66 HG2 GLN 66 -11.083 10.173 3.289 541 1HE2 GLN 66 HE21 GLN 66 -8.132 11.546 3.766 542 2HE2 GLN 66 HE22 GLN 66 -8.073 11.399 5.505 543 H HIS 67 HN HIS 67 -12.282 6.585 2.337 544 HA HIS 67 HA HIS 67 -14.479 8.533 2.209 545 1HB HIS 67 HB3 HIS 67 -14.526 5.708 1.148 546 2HB HIS 67 HB2 HIS 67 -15.985 6.646 1.452 547 HD1 HIS 67 HD1 HIS 67 -15.482 9.293 0.213 548 HD2 HIS 67 HD2 HIS 67 -14.035 5.787 -1.477 549 HE1 HIS 67 HE1 HIS 67 -15.026 9.839 -2.203 550 HE2 HIS 67 HE2 HIS 67 -14.036 7.736 -3.175 551 H THR 68 HN THR 68 -15.247 8.766 4.199 552 HA THR 68 HA THR 68 -14.952 6.533 6.079 553 HB THR 68 HB THR 68 -15.394 8.417 7.765 554 HG1 THR 68 HG1 THR 68 -14.507 10.417 6.363 555 1HG2 THR 68 HG21 THR 68 -13.143 7.473 7.215 556 2HG2 THR 68 HG22 THR 68 -13.146 9.154 7.780 557 3HG2 THR 68 HG23 THR 68 -12.946 8.798 6.076 558 H THR 69 HN THR 69 -17.045 8.839 7.253 559 HA THR 69 HA THR 69 -19.253 9.008 7.638 560 HB THR 69 HB THR 69 -19.500 7.446 5.060 561 HG1 THR 69 HG1 THR 69 -18.838 10.029 5.649 562 1HG2 THR 69 HG21 THR 69 -21.565 9.311 6.166 563 2HG2 THR 69 HG22 THR 69 -21.577 7.588 6.533 564 3HG2 THR 69 HG23 THR 69 -21.713 8.131 4.861 565 H ASP 70 HN ASP 70 -18.890 5.677 6.355 566 HA ASP 70 HA ASP 70 -19.933 4.677 8.918 567 1HB ASP 70 HB2 ASP 70 -21.059 2.821 7.695 568 2HB ASP 70 HB3 ASP 70 -21.750 4.402 7.349 569 H GLU 71 HN GLU 71 -18.229 3.816 5.953 570 HA GLU 71 HA GLU 71 -16.481 2.073 7.555 571 1HB GLU 71 HB3 GLU 71 -17.766 1.707 4.895 572 2HB GLU 71 HB2 GLU 71 -16.145 1.056 5.110 573 1HG GLU 71 HG3 GLU 71 -18.270 0.456 7.124 574 2HG GLU 71 HG2 GLU 71 -18.227 -0.434 5.597 575 H ASP 72 HN ASP 72 -14.823 3.326 7.967 576 HA ASP 72 HA ASP 72 -13.810 5.346 6.270 577 1HB ASP 72 HB2 ASP 72 -12.255 4.052 8.510 578 2HB ASP 72 HB3 ASP 72 -12.123 5.703 7.914 579 H THR 73 HN THR 73 -13.317 4.386 4.242 580 HA THR 73 HA THR 73 -11.035 2.541 4.247 581 HB THR 73 HB THR 73 -13.169 3.099 2.173 582 HG1 THR 73 HG1 THR 73 -13.963 1.097 2.694 583 1HG2 THR 73 HG21 THR 73 -10.723 1.423 2.012 584 2HG2 THR 73 HG22 THR 73 -11.508 2.416 0.786 585 3HG2 THR 73 HG23 THR 73 -12.203 0.860 1.241 586 H ILE 74 HN ILE 74 -9.230 2.963 2.948 587 HA ILE 74 HA ILE 74 -8.940 5.766 2.156 588 HB ILE 74 HB ILE 74 -6.910 3.520 2.205 589 1HG1 ILE 74 HG12 ILE 74 -7.647 4.196 4.442 590 2HG1 ILE 74 HG13 ILE 74 -5.974 4.677 4.154 591 1HG2 ILE 74 HG21 ILE 74 -5.706 4.792 0.858 592 2HG2 ILE 74 HG22 ILE 74 -6.826 6.144 1.001 593 3HG2 ILE 74 HG23 ILE 74 -5.549 5.916 2.196 594 1HD1 ILE 74 HD11 ILE 74 -6.820 6.962 3.612 595 2HD1 ILE 74 HD12 ILE 74 -8.409 6.429 4.140 596 3HD1 ILE 74 HD13 ILE 74 -7.068 6.452 5.282 597 H VAL 75 HN VAL 75 -8.970 6.389 0.027 598 HA VAL 75 HA VAL 75 -8.971 4.238 -1.988 599 HB VAL 75 HB VAL 75 -10.994 6.461 -1.678 600 1HG1 VAL 75 HG21 VAL 75 -10.316 6.412 -4.003 601 2HG1 VAL 75 HG22 VAL 75 -10.596 4.667 -4.071 602 3HG1 VAL 75 HG23 VAL 75 -11.950 5.775 -3.825 603 1HG2 VAL 75 HG11 VAL 75 -11.015 3.823 -0.824 604 2HG2 VAL 75 HG12 VAL 75 -12.405 4.903 -0.952 605 3HG2 VAL 75 HG13 VAL 75 -11.998 3.822 -2.282 606 H LEU 76 HN LEU 76 -7.445 4.633 -3.495 607 HA LEU 76 HA LEU 76 -6.634 7.403 -3.916 608 1HB LEU 76 HB3 LEU 76 -4.752 6.434 -5.274 609 2HB LEU 76 HB2 LEU 76 -4.718 6.094 -3.556 610 HG LEU 76 HG LEU 76 -5.983 4.126 -5.353 611 1HD1 LEU 76 HD21 LEU 76 -3.103 3.754 -4.945 612 2HD1 LEU 76 HD22 LEU 76 -4.109 3.414 -6.353 613 3HD1 LEU 76 HD23 LEU 76 -3.553 5.059 -6.049 614 1HD2 LEU 76 HD11 LEU 76 -5.375 2.574 -3.706 615 2HD2 LEU 76 HD12 LEU 76 -4.181 3.670 -2.997 616 3HD2 LEU 76 HD13 LEU 76 -5.904 3.999 -2.817 617 H GLN 77 HN GLN 77 -6.796 8.424 -5.859 618 HA GLN 77 HA GLN 77 -8.715 7.188 -7.696 619 1HB GLN 77 HB2 GLN 77 -8.041 10.041 -7.038 620 2HB GLN 77 HB3 GLN 77 -8.988 9.616 -8.450 621 1HG GLN 77 HG3 GLN 77 -9.690 9.002 -5.583 622 2HG GLN 77 HG2 GLN 77 -10.428 10.244 -6.608 623 1HE2 GLN 77 HE21 GLN 77 -12.173 9.726 -7.699 624 2HE2 GLN 77 HE22 GLN 77 -12.681 8.114 -8.125 625 HA PRO 78 HA PRO 78 -5.823 7.150 -11.003 626 1HB PRO 78 HB3 PRO 78 -7.543 7.199 -13.115 627 2HB PRO 78 HB2 PRO 78 -7.276 5.763 -12.116 628 1HG PRO 78 HG2 PRO 78 -9.566 7.641 -12.155 629 2HG PRO 78 HG3 PRO 78 -9.525 5.912 -11.773 630 1HD PRO 78 HD3 PRO 78 -9.648 8.006 -9.925 631 2HD PRO 78 HD2 PRO 78 -9.218 6.322 -9.558 632 H GLN 79 HN GLN 79 -4.929 9.249 -10.545 633 HA GLN 79 HA GLN 79 -6.061 11.689 -11.299 634 1HB GLN 79 HB2 GLN 79 -3.864 12.644 -11.037 635 2HB GLN 79 HB3 GLN 79 -4.110 11.438 -9.784 636 1HG GLN 79 HG3 GLN 79 -2.034 10.823 -10.365 637 2HG GLN 79 HG2 GLN 79 -2.880 9.918 -11.615 638 1HE2 GLN 79 HE21 GLN 79 -3.181 13.167 -12.249 639 2HE2 GLN 79 HE22 GLN 79 -2.002 13.248 -13.497 640 H GLU 80 HN GLU 80 -4.496 9.236 -13.170 641 HA GLU 80 HA GLU 80 -5.127 10.712 -15.577 642 1HB GLU 80 HB3 GLU 80 -2.534 10.690 -14.681 643 2HB GLU 80 HB2 GLU 80 -2.562 9.261 -15.703 644 1HG GLU 80 HG2 GLU 80 -3.519 10.693 -17.526 645 2HG GLU 80 HG3 GLU 80 -3.197 12.090 -16.497 646 HA PRO 81 HA PRO 81 -6.902 6.879 -16.830 647 1HB PRO 81 HB3 PRO 81 -5.374 7.103 -19.374 648 2HB PRO 81 HB2 PRO 81 -7.110 6.876 -19.113 649 1HG PRO 81 HG2 PRO 81 -6.088 9.239 -19.854 650 2HG PRO 81 HG3 PRO 81 -7.483 9.123 -18.775 651 1HD PRO 81 HD3 PRO 81 -4.664 9.841 -18.168 652 2HD PRO 81 HD2 PRO 81 -6.167 10.355 -17.360 653 H GLY 82 HN GLY 82 -3.455 7.256 -16.969 654 1HA GLY 82 HA1 GLY 82 -2.950 4.434 -17.435 655 2HA GLY 82 HA2 GLY 82 -1.742 5.681 -17.180 656 H LEU 83 HN LEU 83 -3.684 6.332 -14.773 657 HA LEU 83 HA LEU 83 -2.236 4.608 -12.896 658 1HB LEU 83 HB3 LEU 83 -2.421 7.255 -12.903 659 2HB LEU 83 HB2 LEU 83 -3.922 6.928 -12.061 660 HG LEU 83 HG LEU 83 -1.992 7.444 -10.580 661 1HD1 LEU 83 HD11 LEU 83 -2.368 4.942 -9.435 662 2HD1 LEU 83 HD12 LEU 83 -3.317 6.402 -9.143 663 3HD1 LEU 83 HD13 LEU 83 -3.840 5.242 -10.365 664 1HD2 LEU 83 HD21 LEU 83 -0.919 4.733 -11.322 665 2HD2 LEU 83 HD22 LEU 83 -0.306 6.247 -11.998 666 3HD2 LEU 83 HD23 LEU 83 -0.202 5.932 -10.268 667 HA PRO 84 HA PRO 84 -6.134 2.436 -12.391 668 1HB PRO 84 HB2 PRO 84 -5.287 0.585 -10.615 669 2HB PRO 84 HB3 PRO 84 -4.841 0.536 -12.322 670 1HG PRO 84 HG2 PRO 84 -3.243 1.437 -9.969 671 2HG PRO 84 HG3 PRO 84 -2.715 0.585 -11.429 672 1HD PRO 84 HD2 PRO 84 -2.399 3.292 -10.979 673 2HD PRO 84 HD3 PRO 84 -2.365 2.495 -12.567 674 H SER 85 HN SER 85 -7.684 1.901 -10.693 675 HA SER 85 HA SER 85 -7.305 3.507 -8.264 676 1HB SER 85 HB3 SER 85 -9.810 3.989 -8.437 677 2HB SER 85 HB2 SER 85 -8.759 4.828 -9.580 678 HG SER 85 HG SER 85 -9.303 2.865 -10.972 679 H PHE 86 HN PHE 86 -8.079 2.674 -6.376 680 HA PHE 86 HA PHE 86 -9.874 0.490 -6.280 681 1HB PHE 86 HB2 PHE 86 -8.522 -1.264 -5.407 682 2HB PHE 86 HB3 PHE 86 -7.746 -0.706 -6.881 683 HD1 PHE 86 HD1 PHE 86 -5.846 1.072 -6.553 684 HD2 PHE 86 HD2 PHE 86 -7.246 -1.558 -3.513 685 HE1 PHE 86 HE1 PHE 86 -3.713 1.341 -5.334 686 HE2 PHE 86 HE2 PHE 86 -5.132 -1.285 -2.296 687 HZ PHE 86 HZ PHE 86 -3.365 0.165 -3.194 688 H ARG 87 HN ARG 87 -9.886 -0.380 -3.848 689 HA ARG 87 HA ARG 87 -9.505 1.956 -2.114 690 1HB ARG 87 HB3 ARG 87 -11.599 1.076 -0.927 691 2HB ARG 87 HB2 ARG 87 -11.820 1.921 -2.461 692 1HG ARG 87 HG3 ARG 87 -11.619 -0.476 -3.452 693 2HG ARG 87 HG2 ARG 87 -12.045 -0.952 -1.816 694 1HD ARG 87 HD3 ARG 87 -14.114 0.148 -1.920 695 2HD ARG 87 HD2 ARG 87 -13.615 1.074 -3.336 696 HE ARG 87 HE ARG 87 -13.550 -1.662 -3.964 697 1HH1 ARG 87 HH12 ARG 87 -16.052 0.890 -4.931 698 2HH1 ARG 87 HH11 ARG 87 -16.694 0.395 -3.394 699 1HH2 ARG 87 HH21 ARG 87 -15.471 -1.854 -5.989 700 2HH2 ARG 87 HH22 ARG 87 -16.478 -2.487 -4.718 701 H ILE 88 HN ILE 88 -8.845 1.559 -0.027 702 HA ILE 88 HA ILE 88 -8.331 -1.242 0.672 703 HB ILE 88 HB ILE 88 -6.181 -0.178 1.802 704 1HG1 ILE 88 HG12 ILE 88 -6.452 1.410 -0.757 705 2HG1 ILE 88 HG13 ILE 88 -6.696 2.077 0.856 706 1HG2 ILE 88 HG21 ILE 88 -4.896 -1.192 0.075 707 2HG2 ILE 88 HG22 ILE 88 -6.395 -2.119 0.259 708 3HG2 ILE 88 HG23 ILE 88 -6.213 -0.993 -1.087 709 1HD1 ILE 88 HD11 ILE 88 -4.411 1.690 1.421 710 2HD1 ILE 88 HD12 ILE 88 -4.133 0.861 -0.110 711 3HD1 ILE 88 HD13 ILE 88 -4.500 2.579 -0.099 712 H LYS 89 HN LYS 89 -9.503 -1.618 2.433 713 HA LYS 89 HA LYS 89 -9.730 0.546 4.383 714 1HB LYS 89 HB3 LYS 89 -11.627 -0.684 5.315 715 2HB LYS 89 HB2 LYS 89 -11.877 -0.343 3.608 716 1HG LYS 89 HG2 LYS 89 -11.757 -2.544 3.006 717 2HG LYS 89 HG3 LYS 89 -10.744 -2.978 4.388 718 1HD LYS 89 HD2 LYS 89 -13.047 -3.859 4.538 719 2HD LYS 89 HD3 LYS 89 -12.613 -2.807 5.884 720 1HE LYS 89 HE2 LYS 89 -14.088 -1.810 3.468 721 2HE LYS 89 HE3 LYS 89 -14.922 -2.527 4.840 722 1HZ LYS 89 HZ1 LYS 89 -13.118 -0.472 5.668 723 2HZ LYS 89 HZ2 LYS 89 -14.767 -0.631 5.980 724 3HZ LYS 89 HZ3 LYS 89 -14.237 0.117 4.558 725 HA PRO 90 HA PRO 90 -6.912 -1.514 6.991 726 1HB PRO 90 HB2 PRO 90 -8.154 -0.060 9.218 727 2HB PRO 90 HB3 PRO 90 -6.539 0.120 8.516 728 1HG PRO 90 HG2 PRO 90 -8.414 2.011 8.187 729 2HG PRO 90 HG3 PRO 90 -7.262 1.609 6.889 730 1HD PRO 90 HD2 PRO 90 -10.100 0.673 7.253 731 2HD PRO 90 HD3 PRO 90 -9.315 1.326 5.789 732 H LYS 91 HN LYS 91 -8.817 -3.305 6.468 733 HA LYS 91 HA LYS 91 -9.426 -4.404 9.120 734 1HB LYS 91 HB2 LYS 91 -11.124 -4.506 6.626 735 2HB LYS 91 HB3 LYS 91 -11.289 -5.697 7.909 736 1HG LYS 91 HG3 LYS 91 -11.783 -3.890 9.503 737 2HG LYS 91 HG2 LYS 91 -11.679 -2.718 8.181 738 1HD LYS 91 HD3 LYS 91 -13.544 -3.747 7.060 739 2HD LYS 91 HD2 LYS 91 -13.597 -5.047 8.255 740 1HE LYS 91 HE3 LYS 91 -14.136 -3.407 10.002 741 2HE LYS 91 HE2 LYS 91 -14.111 -2.126 8.796 742 1HZ LYS 91 HZ1 LYS 91 -16.352 -3.048 9.425 743 2HZ LYS 91 HZ2 LYS 91 -15.929 -4.454 8.574 744 3HZ LYS 91 HZ3 LYS 91 -16.022 -2.960 7.757 745 H ASP 92 HN ASP 92 -7.474 -5.354 9.127 746 HA ASP 92 HA ASP 92 -6.461 -6.946 7.016 747 1HB ASP 92 HB2 ASP 92 -4.754 -7.622 8.748 748 2HB ASP 92 HB3 ASP 92 -4.885 -5.901 8.415 749 H PHE 93 HN PHE 93 -7.569 -7.993 10.289 750 HA PHE 93 HA PHE 93 -8.918 -10.234 9.166 751 1HB PHE 93 HB2 PHE 93 -7.558 -12.050 9.873 752 2HB PHE 93 HB3 PHE 93 -6.507 -10.955 8.992 753 HD1 PHE 93 HD1 PHE 93 -5.425 -9.074 10.716 754 HD2 PHE 93 HD2 PHE 93 -6.599 -13.057 11.645 755 HE1 PHE 93 HE1 PHE 93 -3.809 -9.106 12.573 756 HE2 PHE 93 HE2 PHE 93 -4.998 -13.102 13.513 757 HZ PHE 93 HZ PHE 93 -3.591 -11.122 13.980 758 H GLU 94 HN GLU 94 -9.149 -11.970 11.078 759 HA GLU 94 HA GLU 94 -10.986 -10.975 12.867 760 1HB GLU 94 HB3 GLU 94 -10.872 -13.300 12.278 761 2HB GLU 94 HB2 GLU 94 -9.262 -13.448 12.960 762 1HG GLU 94 HG3 GLU 94 -10.869 -14.501 14.391 763 2HG GLU 94 HG2 GLU 94 -10.188 -13.089 15.197 764 H THR 95 HN THR 95 -10.847 -9.814 14.621 765 HA THR 95 HA THR 95 -10.093 -8.702 16.430 766 HB THR 95 HB THR 95 -8.345 -11.144 16.816 767 HG1 THR 95 HG1 THR 95 -10.774 -11.345 16.554 768 1HG2 THR 95 HG21 THR 95 -7.602 -9.972 18.578 769 2HG2 THR 95 HG22 THR 95 -9.174 -10.372 19.286 770 3HG2 THR 95 HG23 THR 95 -8.931 -8.812 18.496 771 H SER 96 HN SER 96 -9.144 -6.911 15.662 772 HA SER 96 HA SER 96 -6.396 -6.560 16.019 773 1HB SER 96 HB3 SER 96 -6.464 -7.907 13.850 774 2HB SER 96 HB2 SER 96 -7.208 -6.500 13.107 775 HG SER 96 HG SER 96 -4.938 -6.545 12.808 776 H GLU 97 HN GLU 97 -7.910 -5.009 13.282 777 HA GLU 97 HA GLU 97 -8.667 -2.959 12.826 778 1HB GLU 97 HB3 GLU 97 -10.480 -3.786 14.231 779 2HB GLU 97 HB2 GLU 97 -9.642 -3.177 15.648 780 1HG GLU 97 HG2 GLU 97 -9.967 -0.904 14.924 781 2HG GLU 97 HG3 GLU 97 -10.620 -1.448 13.388 782 H TYR 98 HN TYR 98 -6.172 -3.340 14.924 783 HA TYR 98 HA TYR 98 -5.874 -0.735 15.981 784 1HB TYR 98 HB2 TYR 98 -3.841 -2.891 15.376 785 2HB TYR 98 HB3 TYR 98 -3.463 -1.399 16.237 786 HD1 TYR 98 HD1 TYR 98 -5.124 -0.931 18.296 787 HD2 TYR 98 HD2 TYR 98 -4.278 -4.768 16.656 788 HE1 TYR 98 HE1 TYR 98 -5.787 -1.982 20.415 789 HE2 TYR 98 HE2 TYR 98 -4.882 -5.819 18.794 790 HH TYR 98 HH TYR 98 -6.637 -4.318 21.136 791 H VAL 99 HN VAL 99 -4.813 -2.310 12.987 792 HA VAL 99 HA VAL 99 -3.219 -0.300 11.926 793 HB VAL 99 HB VAL 99 -4.754 -2.635 10.883 794 1HG1 VAL 99 HG21 VAL 99 -3.802 -2.162 8.582 795 2HG1 VAL 99 HG22 VAL 99 -5.243 -1.275 9.076 796 3HG1 VAL 99 HG23 VAL 99 -3.670 -0.485 9.114 797 1HG2 VAL 99 HG11 VAL 99 -2.760 -3.619 10.759 798 2HG2 VAL 99 HG12 VAL 99 -1.963 -2.180 10.130 799 3HG2 VAL 99 HG13 VAL 99 -2.275 -2.340 11.859 800 H ARG 100 HN ARG 100 -6.664 -0.494 12.193 801 HA ARG 100 HA ARG 100 -7.479 1.135 10.096 802 1HB ARG 100 HB2 ARG 100 -8.932 -0.240 11.607 803 2HB ARG 100 HB3 ARG 100 -8.733 1.005 12.830 804 1HG ARG 100 HG3 ARG 100 -9.765 2.643 11.340 805 2HG ARG 100 HG2 ARG 100 -9.987 1.382 10.125 806 1HD ARG 100 HD3 ARG 100 -11.320 0.105 11.800 807 2HD ARG 100 HD2 ARG 100 -11.216 1.499 12.870 808 HE ARG 100 HE ARG 100 -12.213 2.348 10.389 809 1HH1 ARG 100 HH12 ARG 100 -13.880 -0.326 12.137 810 2HH1 ARG 100 HH11 ARG 100 -14.183 0.872 13.358 811 1HH2 ARG 100 HH21 ARG 100 -14.564 3.138 10.586 812 2HH2 ARG 100 HH22 ARG 100 -15.503 1.669 10.713 813 H LYS 101 HN LYS 101 -6.259 2.011 13.269 814 HA LYS 101 HA LYS 101 -6.870 4.795 12.858 815 1HB LYS 101 HB3 LYS 101 -5.426 3.345 15.056 816 2HB LYS 101 HB2 LYS 101 -5.703 5.066 15.047 817 1HG LYS 101 HG2 LYS 101 -8.118 4.677 14.983 818 2HG LYS 101 HG3 LYS 101 -7.815 2.935 15.022 819 1HD LYS 101 HD2 LYS 101 -8.383 3.842 17.236 820 2HD LYS 101 HD3 LYS 101 -6.781 3.110 17.186 821 1HE LYS 101 HE2 LYS 101 -5.744 5.300 17.062 822 2HE LYS 101 HE3 LYS 101 -7.332 6.071 16.965 823 1HZ LYS 101 HZ1 LYS 101 -5.921 5.611 19.245 824 2HZ LYS 101 HZ2 LYS 101 -7.079 4.375 19.256 825 3HZ LYS 101 HZ3 LYS 101 -7.572 5.994 19.143 826 H ALA 102 HN ALA 102 -3.944 2.796 12.745 827 HA ALA 102 HA ALA 102 -2.362 5.222 12.249 828 1HB ALA 102 HB1 ALA 102 -0.421 3.884 12.753 829 2HB ALA 102 HB2 ALA 102 -1.634 3.705 14.019 830 3HB ALA 102 HB3 ALA 102 -1.416 2.422 12.835 831 H TRP 103 HN TRP 103 -4.002 3.787 10.081 832 HA TRP 103 HA TRP 103 -1.695 3.621 8.278 833 1HB TRP 103 HB3 TRP 103 -4.071 1.873 8.313 834 2HB TRP 103 HB2 TRP 103 -3.520 2.414 6.726 835 HD1 TRP 103 HD1 TRP 103 -2.114 0.563 9.834 836 HE1 TRP 103 HE1 TRP 103 -0.306 -1.110 9.025 837 HE3 TRP 103 HE3 TRP 103 -1.809 1.940 4.899 838 HZ2 TRP 103 HZ2 TRP 103 1.064 -1.729 6.643 839 HZ3 TRP 103 HZ3 TRP 103 -0.217 0.766 3.450 840 HH2 TRP 103 HH2 TRP 103 1.193 -1.011 4.291 841 H LEU 104 HN LEU 104 -4.426 5.303 9.177 842 HA LEU 104 HA LEU 104 -5.021 6.577 6.676 843 1HB LEU 104 HB2 LEU 104 -5.631 7.188 9.562 844 2HB LEU 104 HB3 LEU 104 -5.853 8.440 8.365 845 HG LEU 104 HG LEU 104 -7.473 7.030 7.178 846 1HD1 LEU 104 HD11 LEU 104 -8.101 4.911 7.872 847 2HD1 LEU 104 HD12 LEU 104 -6.344 4.907 8.040 848 3HD1 LEU 104 HD13 LEU 104 -7.365 5.118 9.471 849 1HD2 LEU 104 HD21 LEU 104 -8.395 6.944 10.007 850 2HD2 LEU 104 HD22 LEU 104 -7.988 8.510 9.308 851 3HD2 LEU 104 HD23 LEU 104 -9.241 7.501 8.570 852 H ARG 105 HN ARG 105 -3.879 8.495 9.443 853 HA ARG 105 HA ARG 105 -2.409 10.341 8.340 854 1HB ARG 105 HB2 ARG 105 -2.476 10.279 10.685 855 2HB ARG 105 HB3 ARG 105 -1.812 8.645 10.759 856 1HG ARG 105 HG2 ARG 105 0.355 9.382 10.452 857 2HG ARG 105 HG3 ARG 105 -0.142 10.888 9.693 858 1HD ARG 105 HD3 ARG 105 -0.716 10.282 12.577 859 2HD ARG 105 HD2 ARG 105 0.793 11.023 12.051 860 HE ARG 105 HE ARG 105 -1.723 12.330 12.336 861 1HH1 ARG 105 HH11 ARG 105 1.559 13.120 11.325 862 2HH1 ARG 105 HH12 ARG 105 1.013 13.167 9.666 863 1HH2 ARG 105 HH21 ARG 105 -1.230 14.908 11.956 864 2HH2 ARG 105 HH22 ARG 105 -1.462 14.805 10.238 865 H ASP 106 HN ASP 106 -0.925 7.126 8.927 866 HA ASP 106 HA ASP 106 1.569 7.736 7.834 867 1HB ASP 106 HB2 ASP 106 0.148 5.177 8.398 868 2HB ASP 106 HB3 ASP 106 1.638 5.145 7.460 869 H ILE 107 HN ILE 107 -1.386 6.930 6.146 870 HA ILE 107 HA ILE 107 -0.008 6.156 3.739 871 HB ILE 107 HB ILE 107 -2.369 5.387 4.390 872 1HG1 ILE 107 HG13 ILE 107 -3.151 5.362 2.034 873 2HG1 ILE 107 HG12 ILE 107 -1.875 6.511 1.635 874 1HG2 ILE 107 HG21 ILE 107 -3.543 7.629 2.908 875 2HG2 ILE 107 HG22 ILE 107 -4.166 6.727 4.292 876 3HG2 ILE 107 HG23 ILE 107 -2.983 8.014 4.540 877 1HD1 ILE 107 HD11 ILE 107 -0.695 4.324 3.000 878 2HD1 ILE 107 HD12 ILE 107 -1.734 3.695 1.720 879 3HD1 ILE 107 HD13 ILE 107 -0.462 4.855 1.327 880 H ALA 108 HN ALA 108 -1.608 9.060 4.990 881 HA ALA 108 HA ALA 108 -1.374 10.636 2.674 882 1HB ALA 108 HB1 ALA 108 -2.937 11.281 4.277 883 2HB ALA 108 HB2 ALA 108 -1.747 11.245 5.575 884 3HB ALA 108 HB3 ALA 108 -1.673 12.506 4.344 885 H GLU 109 HN GLU 109 1.050 9.460 4.511 886 HA GLU 109 HA GLU 109 2.976 11.308 3.445 887 1HB GLU 109 HB3 GLU 109 3.966 11.880 5.640 888 2HB GLU 109 HB2 GLU 109 2.345 12.527 5.453 889 1HG GLU 109 HG2 GLU 109 1.518 10.517 6.744 890 2HG GLU 109 HG3 GLU 109 3.214 10.172 7.112 891 H GLU 110 HN GLU 110 2.531 8.708 2.892 892 HA GLU 110 HA GLU 110 4.059 6.950 4.491 893 1HB GLU 110 HB2 GLU 110 3.659 5.286 2.867 894 2HB GLU 110 HB3 GLU 110 2.207 6.263 2.922 895 1HG GLU 110 HG2 GLU 110 4.344 6.451 0.807 896 2HG GLU 110 HG3 GLU 110 2.840 5.555 0.647 897 H GLN 111 HN GLN 111 4.761 8.423 1.300 898 HA GLN 111 HA GLN 111 7.440 7.499 1.286 899 1HB GLN 111 HB3 GLN 111 5.876 8.417 -0.641 900 2HB GLN 111 HB2 GLN 111 6.740 9.904 -0.268 901 1HG GLN 111 HG2 GLN 111 8.852 8.880 -0.723 902 2HG GLN 111 HG3 GLN 111 8.098 7.299 -0.889 903 1HE2 GLN 111 HE21 GLN 111 6.064 9.500 -2.275 904 2HE2 GLN 111 HE22 GLN 111 6.601 9.365 -3.925 905 H GLU 112 HN GLU 112 5.958 9.942 2.982 906 HA GLU 112 HA GLU 112 6.569 11.799 4.135 907 1HB GLU 112 HB2 GLU 112 7.780 9.394 4.923 908 2HB GLU 112 HB3 GLU 112 8.913 10.692 5.289 909 1HG GLU 112 HG2 GLU 112 6.033 10.605 6.152 910 2HG GLU 112 HG3 GLU 112 7.405 10.139 7.157 911 H LYS 113 HN LYS 113 9.872 10.642 3.555 912 HA LYS 113 HA LYS 113 10.983 13.212 3.453 913 1HB LYS 113 HB2 LYS 113 12.036 10.556 2.504 914 2HB LYS 113 HB3 LYS 113 12.992 12.032 2.475 915 1HG LYS 113 HG3 LYS 113 13.645 10.972 4.440 916 2HG LYS 113 HG2 LYS 113 12.485 12.188 4.978 917 1HD LYS 113 HD3 LYS 113 10.745 10.524 5.151 918 2HD LYS 113 HD2 LYS 113 11.814 9.288 4.493 919 1HE LYS 113 HE3 LYS 113 11.674 9.061 6.909 920 2HE LYS 113 HE2 LYS 113 13.300 9.564 6.444 921 1HZ LYS 113 HZ1 LYS 113 13.064 11.568 7.434 922 2HZ LYS 113 HZ2 LYS 113 11.945 10.732 8.387 923 3HZ LYS 113 HZ3 LYS 113 11.407 11.689 7.096 924 H TYR 114 HN TYR 114 9.163 11.648 1.129 925 HA TYR 114 HA TYR 114 10.389 12.417 -1.286 926 1HB TYR 114 HB3 TYR 114 8.493 10.820 -1.117 927 2HB TYR 114 HB2 TYR 114 7.433 12.157 -0.675 928 HD1 TYR 114 HD1 TYR 114 10.010 11.670 -3.330 929 HD2 TYR 114 HD2 TYR 114 5.980 12.651 -2.391 930 HE1 TYR 114 HE1 TYR 114 9.553 12.020 -5.717 931 HE2 TYR 114 HE2 TYR 114 5.502 13.006 -4.787 932 HH TYR 114 HH TYR 114 6.669 13.499 -6.833 933 H ALA 115 HN ALA 115 8.386 14.071 1.029 934 HA ALA 115 HA ALA 115 8.445 16.531 -0.583 935 1HB ALA 115 HB1 ALA 115 6.780 16.945 1.610 936 2HB ALA 115 HB2 ALA 115 6.274 16.629 -0.053 937 3HB ALA 115 HB3 ALA 115 6.436 15.298 1.098 938 H ALA 116 HN ALA 116 10.823 15.806 0.696 939 HA ALA 116 HA ALA 116 10.985 17.020 3.297 940 1HB ALA 116 HB1 ALA 116 12.457 15.148 2.421 941 2HB ALA 116 HB2 ALA 116 13.306 16.386 1.493 942 3HB ALA 116 HB3 ALA 116 13.281 16.468 3.257 943 H GLU 117 HN GLU 117 10.840 18.177 0.199 944 HA GLU 117 HA GLU 117 11.486 20.033 -0.931 945 1HB GLU 117 HB2 GLU 117 10.642 22.124 0.211 946 2HB GLU 117 HB3 GLU 117 9.483 20.833 -0.041 947 1HG GLU 117 HG2 GLU 117 9.920 20.149 2.349 948 2HG GLU 117 HG3 GLU 117 10.803 21.664 2.521 949 H ARG 118 HN ARG 118 13.802 19.164 -0.183 950 HA ARG 118 HA ARG 118 15.213 21.499 0.945 951 1HB ARG 118 HB3 ARG 118 15.412 19.164 2.027 952 2HB ARG 118 HB2 ARG 118 16.380 18.728 0.623 953 1HG ARG 118 HG2 ARG 118 17.007 20.993 2.513 954 2HG ARG 118 HG3 ARG 118 17.709 19.381 2.620 955 1HD ARG 118 HD2 ARG 118 18.729 19.671 0.418 956 2HD ARG 118 HD3 ARG 118 17.977 21.258 0.265 957 HE ARG 118 HE ARG 118 19.557 21.116 2.618 958 1HH1 ARG 118 HH12 ARG 118 20.757 21.200 -0.970 959 2HH1 ARG 118 HH11 ARG 118 20.201 22.822 -0.663 960 1HH2 ARG 118 HH22 ARG 118 21.493 23.018 2.199 961 2HH2 ARG 118 HH21 ARG 118 22.517 21.820 1.468 962 H ASP 119 HN ASP 119 15.500 18.926 -1.474 963 HA ASP 119 HA ASP 119 16.223 20.794 -3.524 964 1HB ASP 119 HB2 ASP 119 18.321 19.629 -4.168 965 2HB ASP 119 HB3 ASP 119 18.439 20.457 -2.624 Start of MODEL 9 1 1H MET 1 HT1 MET 1 17.248 -10.679 15.610 2 2H MET 1 HT2 MET 1 18.831 -11.051 16.167 3 3H MET 1 HT3 MET 1 17.492 -11.151 17.238 4 HA MET 1 HA MET 1 18.292 -12.896 15.045 5 1HB MET 1 HB2 MET 1 19.026 -13.315 17.358 6 2HB MET 1 HB3 MET 1 17.345 -13.379 17.863 7 1HG MET 1 HG3 MET 1 16.979 -15.307 16.429 8 2HG MET 1 HG2 MET 1 18.666 -15.237 15.929 9 1HE MET 1 HE1 MET 1 17.289 -17.896 17.125 10 2HE MET 1 HE2 MET 1 18.908 -17.702 16.454 11 3HE MET 1 HE3 MET 1 18.693 -18.448 18.039 12 H GLY 2 HN GLY 2 15.507 -11.491 16.625 13 1HA GLY 2 HA2 GLY 2 13.589 -13.409 15.925 14 2HA GLY 2 HA1 GLY 2 13.269 -11.726 16.296 15 H ASP 3 HN ASP 3 13.206 -10.184 14.590 16 HA ASP 3 HA ASP 3 13.331 -11.222 11.862 17 1HB ASP 3 HB3 ASP 3 10.938 -11.472 12.615 18 2HB ASP 3 HB2 ASP 3 10.891 -9.725 12.845 19 H THR 4 HN THR 4 14.636 -9.912 10.828 20 HA THR 4 HA THR 4 14.595 -7.045 11.509 21 HB THR 4 HB THR 4 16.922 -8.183 10.066 22 HG1 THR 4 HG1 THR 4 16.547 -9.782 11.594 23 1HG2 THR 4 HG21 THR 4 16.429 -6.084 12.097 24 2HG2 THR 4 HG22 THR 4 17.412 -6.045 10.636 25 3HG2 THR 4 HG23 THR 4 18.016 -6.865 12.078 26 H GLY 5 HN GLY 5 12.688 -7.811 9.879 27 1HA GLY 5 HA2 GLY 5 13.493 -7.669 7.097 28 2HA GLY 5 HA1 GLY 5 11.864 -7.850 7.718 29 H LYS 6 HN LYS 6 12.874 -5.308 9.446 30 HA LYS 6 HA LYS 6 11.583 -3.481 7.615 31 1HB LYS 6 HB2 LYS 6 12.626 -3.166 10.417 32 2HB LYS 6 HB3 LYS 6 11.950 -1.827 9.499 33 1HG LYS 6 HG3 LYS 6 9.849 -3.083 9.250 34 2HG LYS 6 HG2 LYS 6 10.505 -4.360 10.274 35 1HD LYS 6 HD3 LYS 6 10.719 -2.721 12.115 36 2HD LYS 6 HD2 LYS 6 10.042 -1.483 11.047 37 1HE LYS 6 HE2 LYS 6 7.967 -2.765 10.846 38 2HE LYS 6 HE3 LYS 6 8.635 -4.021 11.887 39 1HZ LYS 6 HZ1 LYS 6 7.143 -2.421 13.024 40 2HZ LYS 6 HZ2 LYS 6 8.281 -1.213 12.725 41 3HZ LYS 6 HZ3 LYS 6 8.708 -2.522 13.705 42 H LEU 7 HN LEU 7 13.940 -4.488 6.621 43 HA LEU 7 HA LEU 7 15.653 -2.109 6.543 44 1HB LEU 7 HB2 LEU 7 16.340 -5.023 6.397 45 2HB LEU 7 HB3 LEU 7 17.335 -3.870 5.530 46 HG LEU 7 HG LEU 7 18.350 -4.339 7.627 47 1HD1 LEU 7 HD21 LEU 7 18.792 -2.127 7.079 48 2HD1 LEU 7 HD22 LEU 7 17.109 -1.643 7.298 49 3HD1 LEU 7 HD23 LEU 7 18.118 -1.970 8.708 50 1HD2 LEU 7 HD11 LEU 7 15.723 -4.516 8.605 51 2HD2 LEU 7 HD12 LEU 7 17.240 -4.811 9.459 52 3HD2 LEU 7 HD13 LEU 7 16.519 -3.205 9.480 53 H GLY 8 HN GLY 8 14.643 -1.047 4.984 54 1HA GLY 8 HA2 GLY 8 14.752 -0.665 2.545 55 2HA GLY 8 HA1 GLY 8 14.388 -2.386 2.356 56 H ARG 9 HN ARG 9 12.610 -2.423 4.620 57 HA ARG 9 HA ARG 9 10.203 -1.339 3.406 58 1HB ARG 9 HB2 ARG 9 10.518 -3.144 5.817 59 2HB ARG 9 HB3 ARG 9 9.005 -2.740 5.017 60 1HG ARG 9 HG3 ARG 9 9.701 -3.906 3.022 61 2HG ARG 9 HG2 ARG 9 11.307 -4.187 3.691 62 1HD ARG 9 HD3 ARG 9 10.162 -5.540 5.509 63 2HD ARG 9 HD2 ARG 9 8.686 -5.409 4.547 64 HE ARG 9 HE ARG 9 10.991 -7.060 3.997 65 1HH1 ARG 9 HH11 ARG 9 7.678 -6.820 2.852 66 2HH1 ARG 9 HH12 ARG 9 8.192 -6.255 1.290 67 1HH2 ARG 9 HH22 ARG 9 11.140 -7.676 1.353 68 2HH2 ARG 9 HH21 ARG 9 9.894 -8.796 1.835 69 H ILE 10 HN ILE 10 11.257 0.750 3.865 70 HA ILE 10 HA ILE 10 11.683 1.790 6.426 71 HB ILE 10 HB ILE 10 12.630 2.828 4.524 72 1HG1 ILE 10 HG12 ILE 10 10.589 4.704 5.741 73 2HG1 ILE 10 HG13 ILE 10 12.158 4.293 6.428 74 1HG2 ILE 10 HG21 ILE 10 10.152 2.397 3.356 75 2HG2 ILE 10 HG22 ILE 10 10.338 4.153 3.410 76 3HG2 ILE 10 HG23 ILE 10 11.567 3.160 2.626 77 1HD1 ILE 10 HD11 ILE 10 13.333 5.470 4.825 78 2HD1 ILE 10 HD12 ILE 10 11.973 5.490 3.700 79 3HD1 ILE 10 HD13 ILE 10 11.934 6.491 5.150 80 H ILE 11 HN ILE 11 8.685 1.848 4.503 81 HA ILE 11 HA ILE 11 7.422 3.433 6.553 82 HB ILE 11 HB ILE 11 6.066 2.345 4.078 83 1HG1 ILE 11 HG13 ILE 11 7.484 4.988 4.520 84 2HG1 ILE 11 HG12 ILE 11 8.040 3.669 3.493 85 1HG2 ILE 11 HG21 ILE 11 5.402 4.738 5.786 86 2HG2 ILE 11 HG22 ILE 11 4.418 4.008 4.511 87 3HG2 ILE 11 HG23 ILE 11 4.692 3.138 6.019 88 1HD1 ILE 11 HD11 ILE 11 6.393 5.829 2.752 89 2HD1 ILE 11 HD12 ILE 11 6.857 4.425 1.786 90 3HD1 ILE 11 HD13 ILE 11 5.379 4.384 2.735 91 H ARG 12 HN ARG 12 5.452 1.008 5.043 92 HA ARG 12 HA ARG 12 5.612 -0.797 7.301 93 1HB ARG 12 HB2 ARG 12 3.953 1.296 7.664 94 2HB ARG 12 HB3 ARG 12 2.859 0.177 6.849 95 1HG ARG 12 HG3 ARG 12 4.203 -1.350 8.765 96 2HG ARG 12 HG2 ARG 12 3.797 0.173 9.572 97 1HD ARG 12 HD3 ARG 12 1.484 -0.053 8.768 98 2HD ARG 12 HD2 ARG 12 1.899 -1.617 8.065 99 HE ARG 12 HE ARG 12 1.546 -2.520 10.110 100 1HH1 ARG 12 HH11 ARG 12 1.345 0.911 10.906 101 2HH1 ARG 12 HH12 ARG 12 2.834 0.772 11.802 102 1HH2 ARG 12 HH22 ARG 12 1.925 -2.617 12.515 103 2HH2 ARG 12 HH21 ARG 12 0.906 -1.315 13.060 104 H HIS 13 HN HIS 13 3.732 -2.450 7.137 105 HA HIS 13 HA HIS 13 2.826 -3.018 4.423 106 1HB HIS 13 HB2 HIS 13 3.620 -5.379 4.573 107 2HB HIS 13 HB3 HIS 13 4.925 -4.213 4.419 108 HD1 HIS 13 HD1 HIS 13 5.854 -6.775 5.382 109 HD2 HIS 13 HD2 HIS 13 4.286 -3.984 8.033 110 HE1 HIS 13 HE1 HIS 13 6.733 -7.411 7.654 111 HE2 HIS 13 HE2 HIS 13 5.894 -5.617 9.206 112 H ASP 14 HN ASP 14 0.914 -4.321 4.436 113 HA ASP 14 HA ASP 14 0.049 -5.473 6.925 114 1HB ASP 14 HB2 ASP 14 -0.523 -2.859 6.833 115 2HB ASP 14 HB3 ASP 14 -1.875 -3.459 5.873 116 H ALA 15 HN ALA 15 -1.811 -6.803 6.670 117 HA ALA 15 HA ALA 15 -2.228 -7.632 3.902 118 1HB ALA 15 HB1 ALA 15 -2.242 -8.961 6.497 119 2HB ALA 15 HB2 ALA 15 -3.596 -9.413 5.465 120 3HB ALA 15 HB3 ALA 15 -1.947 -9.619 4.887 121 H PHE 16 HN PHE 16 -3.845 -6.639 2.896 122 HA PHE 16 HA PHE 16 -6.324 -6.043 4.387 123 1HB PHE 16 HB2 PHE 16 -5.171 -4.827 1.862 124 2HB PHE 16 HB3 PHE 16 -6.749 -4.428 2.530 125 HD1 PHE 16 HD1 PHE 16 -4.486 -2.537 1.976 126 HD2 PHE 16 HD2 PHE 16 -5.658 -4.616 5.493 127 HE1 PHE 16 HE1 PHE 16 -3.482 -0.770 3.354 128 HE2 PHE 16 HE2 PHE 16 -4.579 -2.869 6.849 129 HZ PHE 16 HZ PHE 16 -3.516 -0.958 5.785 130 H GLN 17 HN GLN 17 -8.324 -6.385 3.258 131 HA GLN 17 HA GLN 17 -8.299 -8.058 0.879 132 1HB GLN 17 HB3 GLN 17 -8.186 -9.696 2.724 133 2HB GLN 17 HB2 GLN 17 -9.591 -8.951 3.476 134 1HG GLN 17 HG2 GLN 17 -10.879 -9.530 1.421 135 2HG GLN 17 HG3 GLN 17 -9.473 -10.450 0.886 136 1HE2 GLN 17 HE21 GLN 17 -9.955 -12.510 1.098 137 2HE2 GLN 17 HE22 GLN 17 -10.493 -13.271 2.550 138 H VAL 18 HN VAL 18 -8.997 -5.901 0.330 139 HA VAL 18 HA VAL 18 -11.874 -5.523 0.788 140 HB VAL 18 HB VAL 18 -10.910 -4.012 2.272 141 1HG1 VAL 18 HG11 VAL 18 -9.015 -2.442 1.255 142 2HG1 VAL 18 HG12 VAL 18 -8.692 -3.996 2.027 143 3HG1 VAL 18 HG13 VAL 18 -8.757 -3.887 0.270 144 1HG2 VAL 18 HG21 VAL 18 -11.791 -2.777 -0.257 145 2HG2 VAL 18 HG22 VAL 18 -12.360 -2.540 1.401 146 3HG2 VAL 18 HG23 VAL 18 -10.895 -1.741 0.857 147 H TRP 19 HN TRP 19 -12.983 -4.500 -0.790 148 HA TRP 19 HA TRP 19 -12.809 -5.158 -3.344 149 1HB TRP 19 HB2 TRP 19 -13.781 -2.426 -2.510 150 2HB TRP 19 HB3 TRP 19 -14.372 -3.427 -3.832 151 HD1 TRP 19 HD1 TRP 19 -15.983 -5.501 -3.206 152 HE1 TRP 19 HE1 TRP 19 -17.484 -5.944 -1.151 153 HE3 TRP 19 HE3 TRP 19 -13.879 -2.159 0.039 154 HZ2 TRP 19 HZ2 TRP 19 -17.701 -4.984 1.507 155 HZ3 TRP 19 HZ3 TRP 19 -14.769 -1.996 2.315 156 HH2 TRP 19 HH2 TRP 19 -16.654 -3.391 3.042 157 H GLU 20 HN GLU 20 -11.384 -4.918 -4.899 158 HA GLU 20 HA GLU 20 -9.433 -2.774 -4.806 159 1HB GLU 20 HB2 GLU 20 -8.823 -5.169 -5.311 160 2HB GLU 20 HB3 GLU 20 -9.744 -5.030 -6.798 161 1HG GLU 20 HG3 GLU 20 -8.232 -3.271 -7.552 162 2HG GLU 20 HG2 GLU 20 -7.291 -3.469 -6.073 163 H GLY 21 HN GLY 21 -12.210 -2.259 -5.383 164 1HA GLY 21 HA1 GLY 21 -13.434 -0.821 -6.727 165 2HA GLY 21 HA2 GLY 21 -11.919 -0.378 -7.502 166 H ASP 22 HN ASP 22 -12.136 -3.621 -7.721 167 HA ASP 22 HA ASP 22 -12.885 -3.560 -10.512 168 1HB ASP 22 HB3 ASP 22 -10.934 -4.871 -9.532 169 2HB ASP 22 HB2 ASP 22 -12.120 -5.945 -8.807 170 H GLU 23 HN GLU 23 -14.429 -3.722 -7.684 171 HA GLU 23 HA GLU 23 -16.742 -3.751 -7.476 172 1HB GLU 23 HB3 GLU 23 -17.336 -4.478 -9.654 173 2HB GLU 23 HB2 GLU 23 -16.645 -6.068 -9.379 174 1HG GLU 23 HG2 GLU 23 -18.352 -6.408 -7.571 175 2HG GLU 23 HG3 GLU 23 -19.097 -4.897 -8.093 176 HA PRO 24 HA PRO 24 -16.477 -7.740 -4.964 177 1HB PRO 24 HB3 PRO 24 -14.902 -9.811 -5.620 178 2HB PRO 24 HB2 PRO 24 -16.450 -9.545 -6.435 179 1HG PRO 24 HG3 PRO 24 -13.664 -8.933 -7.360 180 2HG PRO 24 HG2 PRO 24 -15.042 -9.538 -8.303 181 1HD PRO 24 HD2 PRO 24 -14.206 -6.898 -8.224 182 2HD PRO 24 HD3 PRO 24 -15.814 -7.449 -8.727 183 HA PRO 25 HA PRO 25 -12.959 -6.656 -2.541 184 1HB PRO 25 HB3 PRO 25 -13.439 -8.629 -0.562 185 2HB PRO 25 HB2 PRO 25 -13.960 -6.949 -0.547 186 1HG PRO 25 HG2 PRO 25 -15.609 -9.217 -0.778 187 2HG PRO 25 HG3 PRO 25 -16.095 -7.537 -1.053 188 1HD PRO 25 HD3 PRO 25 -15.457 -9.685 -2.979 189 2HD PRO 25 HD2 PRO 25 -16.506 -8.264 -3.164 190 H LYS 26 HN LYS 26 -10.904 -7.163 -2.769 191 HA LYS 26 HA LYS 26 -10.201 -9.996 -3.122 192 1HB LYS 26 HB3 LYS 26 -9.033 -7.603 -4.555 193 2HB LYS 26 HB2 LYS 26 -8.430 -9.250 -4.703 194 1HG LYS 26 HG2 LYS 26 -10.484 -9.979 -5.680 195 2HG LYS 26 HG3 LYS 26 -11.248 -8.421 -5.380 196 1HD LYS 26 HD3 LYS 26 -10.642 -8.551 -7.695 197 2HD LYS 26 HD2 LYS 26 -9.590 -7.378 -6.906 198 1HE LYS 26 HE2 LYS 26 -8.218 -8.640 -8.330 199 2HE LYS 26 HE3 LYS 26 -7.880 -9.190 -6.693 200 1HZ LYS 26 HZ1 LYS 26 -9.405 -11.083 -7.133 201 2HZ LYS 26 HZ2 LYS 26 -8.016 -11.072 -8.099 202 3HZ LYS 26 HZ3 LYS 26 -9.500 -10.577 -8.750 203 H LEU 27 HN LEU 27 -8.380 -10.767 -2.195 204 HA LEU 27 HA LEU 27 -7.386 -9.308 0.069 205 1HB LEU 27 HB3 LEU 27 -7.820 -11.785 -0.023 206 2HB LEU 27 HB2 LEU 27 -6.433 -11.937 -1.086 207 HG LEU 27 HG LEU 27 -6.013 -10.629 1.553 208 1HD1 LEU 27 HD11 LEU 27 -6.648 -13.518 1.125 209 2HD1 LEU 27 HD12 LEU 27 -5.594 -12.992 2.439 210 3HD1 LEU 27 HD13 LEU 27 -7.260 -12.417 2.360 211 1HD2 LEU 27 HD21 LEU 27 -4.105 -12.600 0.938 212 2HD2 LEU 27 HD22 LEU 27 -4.470 -11.771 -0.575 213 3HD2 LEU 27 HD23 LEU 27 -3.926 -10.850 0.831 214 H ARG 28 HN ARG 28 -5.409 -8.293 0.258 215 HA ARG 28 HA ARG 28 -3.325 -8.751 -1.685 216 1HB ARG 28 HB2 ARG 28 -3.183 -6.367 -2.337 217 2HB ARG 28 HB3 ARG 28 -4.591 -7.204 -2.968 218 1HG ARG 28 HG2 ARG 28 -5.538 -6.151 -0.647 219 2HG ARG 28 HG3 ARG 28 -4.382 -4.924 -1.163 220 1HD ARG 28 HD3 ARG 28 -6.770 -5.968 -2.640 221 2HD ARG 28 HD2 ARG 28 -6.449 -4.314 -2.126 222 HE ARG 28 HE ARG 28 -4.993 -4.069 -3.941 223 1HH1 ARG 28 HH11 ARG 28 -6.123 -7.624 -4.210 224 2HH1 ARG 28 HH12 ARG 28 -6.850 -6.898 -5.612 225 1HH2 ARG 28 HH21 ARG 28 -5.104 -5.004 -6.601 226 2HH2 ARG 28 HH22 ARG 28 -3.805 -6.042 -6.104 227 H TYR 29 HN TYR 29 -1.382 -8.427 -0.860 228 HA TYR 29 HA TYR 29 -1.122 -7.364 1.847 229 1HB TYR 29 HB2 TYR 29 0.920 -8.691 0.028 230 2HB TYR 29 HB3 TYR 29 1.217 -8.207 1.694 231 HD1 TYR 29 HD1 TYR 29 1.767 -10.963 0.946 232 HD2 TYR 29 HD2 TYR 29 -1.914 -9.170 2.131 233 HE1 TYR 29 HE1 TYR 29 0.956 -13.149 1.707 234 HE2 TYR 29 HE2 TYR 29 -2.743 -11.381 2.857 235 HH TYR 29 HH TYR 29 -1.283 -14.256 1.979 236 H VAL 30 HN VAL 30 -1.009 -5.226 1.904 237 HA VAL 30 HA VAL 30 0.337 -3.779 -0.237 238 HB VAL 30 HB VAL 30 -1.199 -2.690 2.120 239 1HG1 VAL 30 HG21 VAL 30 -1.423 -0.852 0.199 240 2HG1 VAL 30 HG22 VAL 30 -0.111 -0.848 1.384 241 3HG1 VAL 30 HG23 VAL 30 0.158 -1.518 -0.228 242 1HG2 VAL 30 HG11 VAL 30 -3.079 -2.498 0.613 243 2HG2 VAL 30 HG12 VAL 30 -2.114 -3.153 -0.716 244 3HG2 VAL 30 HG13 VAL 30 -2.527 -4.176 0.652 245 H PHE 31 HN PHE 31 2.327 -3.067 -0.116 246 HA PHE 31 HA PHE 31 3.539 -2.573 2.533 247 1HB PHE 31 HB2 PHE 31 5.262 -3.337 0.200 248 2HB PHE 31 HB3 PHE 31 5.572 -3.544 1.916 249 HD1 PHE 31 HD1 PHE 31 3.737 -5.246 3.020 250 HD2 PHE 31 HD2 PHE 31 5.089 -5.234 -0.996 251 HE1 PHE 31 HE1 PHE 31 3.156 -7.611 2.833 252 HE2 PHE 31 HE2 PHE 31 4.526 -7.624 -1.217 253 HZ PHE 31 HZ PHE 31 3.543 -8.826 0.710 254 H LEU 32 HN LEU 32 4.354 -0.483 2.710 255 HA LEU 32 HA LEU 32 4.580 0.993 0.167 256 1HB LEU 32 HB2 LEU 32 4.559 2.555 2.658 257 2HB LEU 32 HB3 LEU 32 3.870 2.896 1.086 258 HG LEU 32 HG LEU 32 2.603 1.064 3.117 259 1HD1 LEU 32 HD11 LEU 32 2.686 3.332 3.911 260 2HD1 LEU 32 HD12 LEU 32 2.010 3.940 2.401 261 3HD1 LEU 32 HD13 LEU 32 1.037 2.913 3.466 262 1HD2 LEU 32 HD21 LEU 32 1.687 0.382 1.059 263 2HD2 LEU 32 HD22 LEU 32 0.593 1.681 1.551 264 3HD2 LEU 32 HD23 LEU 32 1.860 2.000 0.378 265 H PHE 33 HN PHE 33 6.500 1.740 -0.412 266 HA PHE 33 HA PHE 33 8.648 1.714 1.595 267 1HB PHE 33 HB3 PHE 33 8.869 0.985 -1.357 268 2HB PHE 33 HB2 PHE 33 10.207 1.051 -0.213 269 HD1 PHE 33 HD1 PHE 33 8.976 -1.276 -1.966 270 HD2 PHE 33 HD2 PHE 33 8.828 -0.231 2.132 271 HE1 PHE 33 HE1 PHE 33 8.593 -3.629 -1.383 272 HE2 PHE 33 HE2 PHE 33 8.423 -2.569 2.733 273 HZ PHE 33 HZ PHE 33 8.329 -4.287 0.968 274 H ARG 34 HN ARG 34 10.483 3.230 0.866 275 HA ARG 34 HA ARG 34 9.253 5.729 0.056 276 1HB ARG 34 HB3 ARG 34 11.085 5.453 1.913 277 2HB ARG 34 HB2 ARG 34 12.218 5.414 0.568 278 1HG ARG 34 HG2 ARG 34 10.226 7.636 0.964 279 2HG ARG 34 HG3 ARG 34 11.826 7.653 1.705 280 1HD ARG 34 HD3 ARG 34 12.916 7.826 -0.337 281 2HD ARG 34 HD2 ARG 34 11.520 7.236 -1.236 282 HE ARG 34 HE ARG 34 10.654 9.573 -0.149 283 1HH1 ARG 34 HH11 ARG 34 13.874 9.402 -1.622 284 2HH1 ARG 34 HH12 ARG 34 13.092 9.462 -3.175 285 1HH2 ARG 34 HH22 ARG 34 10.534 11.315 -2.195 286 2HH2 ARG 34 HH21 ARG 34 11.915 12.041 -1.416 287 H ASN 35 HN ASN 35 8.706 4.563 -1.923 288 HA ASN 35 HA ASN 35 10.259 5.482 -4.103 289 1HB ASN 35 HB3 ASN 35 11.597 3.462 -3.353 290 2HB ASN 35 HB2 ASN 35 10.187 2.482 -3.750 291 1HD2 ASN 35 HD21 ASN 35 13.044 3.550 -4.872 292 2HD2 ASN 35 HD22 ASN 35 12.792 3.221 -6.557 293 H LYS 36 HN LYS 36 8.067 2.813 -3.148 294 HA LYS 36 HA LYS 36 5.929 3.905 -4.704 295 1HB LYS 36 HB2 LYS 36 5.682 1.996 -6.174 296 2HB LYS 36 HB3 LYS 36 7.282 2.688 -6.410 297 1HG LYS 36 HG2 LYS 36 8.248 0.953 -4.977 298 2HG LYS 36 HG3 LYS 36 6.640 0.268 -4.752 299 1HD LYS 36 HD3 LYS 36 7.702 -1.041 -6.425 300 2HD LYS 36 HD2 LYS 36 6.519 -0.022 -7.247 301 1HE LYS 36 HE2 LYS 36 8.259 1.507 -7.933 302 2HE LYS 36 HE3 LYS 36 9.457 0.573 -7.032 303 1HZ LYS 36 HZ1 LYS 36 9.008 -1.317 -8.440 304 2HZ LYS 36 HZ2 LYS 36 9.487 0.000 -9.392 305 3HZ LYS 36 HZ3 LYS 36 7.846 -0.448 -9.320 306 H ILE 37 HN ILE 37 4.047 2.351 -4.595 307 HA ILE 37 HA ILE 37 3.985 1.059 -1.943 308 HB ILE 37 HB ILE 37 1.658 1.897 -3.722 309 1HG1 ILE 37 HG12 ILE 37 2.692 3.039 -1.130 310 2HG1 ILE 37 HG13 ILE 37 2.894 3.760 -2.721 311 1HG2 ILE 37 HG21 ILE 37 1.787 0.379 -1.145 312 2HG2 ILE 37 HG22 ILE 37 0.448 1.498 -1.411 313 3HG2 ILE 37 HG23 ILE 37 0.720 0.168 -2.535 314 1HD1 ILE 37 HD11 ILE 37 1.095 4.760 -1.301 315 2HD1 ILE 37 HD12 ILE 37 0.599 4.241 -2.913 316 3HD1 ILE 37 HD13 ILE 37 0.195 3.253 -1.507 317 H MET 38 HN MET 38 4.935 -0.865 -2.537 318 HA MET 38 HA MET 38 3.941 -2.402 -4.753 319 1HB MET 38 HB2 MET 38 6.288 -2.603 -4.209 320 2HB MET 38 HB3 MET 38 5.910 -3.100 -2.567 321 1HG MET 38 HG2 MET 38 4.917 -5.160 -3.401 322 2HG MET 38 HG3 MET 38 5.262 -4.664 -5.060 323 1HE MET 38 HE1 MET 38 7.596 -7.049 -5.504 324 2HE MET 38 HE2 MET 38 7.145 -7.693 -3.926 325 3HE MET 38 HE3 MET 38 5.918 -6.977 -4.969 326 H PHE 39 HN PHE 39 2.223 -3.728 -4.673 327 HA PHE 39 HA PHE 39 1.611 -4.969 -2.117 328 1HB PHE 39 HB2 PHE 39 -0.792 -4.462 -2.273 329 2HB PHE 39 HB3 PHE 39 0.172 -2.997 -2.182 330 HD1 PHE 39 HD1 PHE 39 0.928 -2.298 -4.812 331 HD2 PHE 39 HD2 PHE 39 -2.659 -4.172 -3.528 332 HE1 PHE 39 HE1 PHE 39 -0.258 -1.373 -6.751 333 HE2 PHE 39 HE2 PHE 39 -3.849 -3.241 -5.472 334 HZ PHE 39 HZ PHE 39 -2.639 -1.837 -7.078 335 H THR 40 HN THR 40 1.690 -7.025 -2.399 336 HA THR 40 HA THR 40 1.041 -8.154 -4.989 337 HB THR 40 HB THR 40 2.078 -10.229 -4.044 338 HG1 THR 40 HG1 THR 40 1.580 -9.377 -1.800 339 1HG2 THR 40 HG21 THR 40 4.365 -9.478 -3.979 340 2HG2 THR 40 HG22 THR 40 3.853 -7.812 -3.729 341 3HG2 THR 40 HG23 THR 40 3.508 -8.618 -5.261 342 H GLU 41 HN GLU 41 -1.013 -8.692 -5.254 343 HA GLU 41 HA GLU 41 -2.659 -9.341 -2.944 344 1HB GLU 41 HB2 GLU 41 -4.528 -9.274 -4.570 345 2HB GLU 41 HB3 GLU 41 -3.591 -7.789 -4.522 346 1HG GLU 41 HG3 GLU 41 -2.941 -9.861 -6.561 347 2HG GLU 41 HG2 GLU 41 -4.362 -8.846 -6.785 348 H GLN 42 HN GLN 42 -4.330 -10.991 -3.200 349 HA GLN 42 HA GLN 42 -3.219 -13.421 -4.413 350 1HB GLN 42 HB2 GLN 42 -3.123 -13.584 -1.955 351 2HB GLN 42 HB3 GLN 42 -4.835 -13.197 -1.856 352 1HG GLN 42 HG2 GLN 42 -5.471 -15.259 -2.741 353 2HG GLN 42 HG3 GLN 42 -3.864 -15.577 -3.393 354 1HE2 GLN 42 HE21 GLN 42 -2.759 -16.995 -2.369 355 2HE2 GLN 42 HE22 GLN 42 -2.675 -17.192 -0.658 356 H ASP 43 HN ASP 43 -4.562 -14.536 -5.694 357 HA ASP 43 HA ASP 43 -7.064 -13.195 -6.280 358 1HB ASP 43 HB3 ASP 43 -5.069 -14.465 -7.856 359 2HB ASP 43 HB2 ASP 43 -6.573 -15.354 -8.086 360 H ALA 44 HN ALA 44 -8.351 -13.793 -4.691 361 HA ALA 44 HA ALA 44 -9.737 -16.262 -4.934 362 1HB ALA 44 HB1 ALA 44 -8.853 -16.092 -2.156 363 2HB ALA 44 HB2 ALA 44 -8.950 -17.485 -3.236 364 3HB ALA 44 HB3 ALA 44 -7.539 -16.427 -3.284 365 H SER 45 HN SER 45 -11.220 -16.308 -2.677 366 HA SER 45 HA SER 45 -12.887 -15.294 -1.526 367 1HB SER 45 HB2 SER 45 -11.189 -12.833 -1.740 368 2HB SER 45 HB3 SER 45 -12.489 -13.074 -0.579 369 HG SER 45 HG SER 45 -11.165 -15.029 0.020 370 H THR 46 HN THR 46 -14.421 -15.548 -3.097 371 HA THR 46 HA THR 46 -15.994 -14.982 -4.604 372 HB THR 46 HB THR 46 -15.932 -12.125 -4.167 373 HG1 THR 46 HG1 THR 46 -15.865 -13.909 -1.972 374 1HG2 THR 46 HG21 THR 46 -17.779 -14.166 -4.589 375 2HG2 THR 46 HG22 THR 46 -18.083 -12.434 -4.423 376 3HG2 THR 46 HG23 THR 46 -18.127 -13.482 -3.003 377 H SER 47 HN SER 47 -13.080 -14.708 -5.301 378 HA SER 47 HA SER 47 -13.455 -13.379 -7.892 379 1HB SER 47 HB2 SER 47 -10.965 -13.028 -6.187 380 2HB SER 47 HB3 SER 47 -11.290 -12.309 -7.765 381 HG SER 47 HG SER 47 -12.614 -11.777 -5.317 382 HA PRO 48 HA PRO 48 -11.715 -17.081 -9.563 383 1HB PRO 48 HB3 PRO 48 -10.232 -15.323 -11.433 384 2HB PRO 48 HB2 PRO 48 -11.364 -16.633 -11.783 385 1HG PRO 48 HG3 PRO 48 -12.087 -14.086 -12.127 386 2HG PRO 48 HG2 PRO 48 -13.237 -15.265 -11.468 387 1HD PRO 48 HD3 PRO 48 -11.642 -13.183 -10.034 388 2HD PRO 48 HD2 PRO 48 -13.329 -13.687 -9.793 389 HA PRO 49 HA PRO 49 -7.648 -17.117 -7.724 390 1HB PRO 49 HB2 PRO 49 -6.887 -19.595 -8.276 391 2HB PRO 49 HB3 PRO 49 -8.261 -19.298 -7.203 392 1HG PRO 49 HG3 PRO 49 -8.244 -20.015 -10.107 393 2HG PRO 49 HG2 PRO 49 -9.235 -20.702 -8.803 394 1HD PRO 49 HD2 PRO 49 -10.139 -18.763 -10.531 395 2HD PRO 49 HD3 PRO 49 -10.737 -18.938 -8.869 396 H SER 50 HN SER 50 -5.424 -18.111 -8.295 397 HA SER 50 HA SER 50 -3.534 -18.126 -9.514 398 1HB SER 50 HB2 SER 50 -5.343 -18.052 -11.928 399 2HB SER 50 HB3 SER 50 -3.639 -18.513 -11.909 400 HG SER 50 HG SER 50 -5.381 -19.846 -10.185 401 H TYR 51 HN TYR 51 -2.695 -16.193 -8.884 402 HA TYR 51 HA TYR 51 -3.265 -13.859 -10.587 403 1HB TYR 51 HB2 TYR 51 -3.726 -13.320 -8.300 404 2HB TYR 51 HB3 TYR 51 -2.247 -14.108 -7.756 405 HD1 TYR 51 HD1 TYR 51 -3.356 -11.271 -9.903 406 HD2 TYR 51 HD2 TYR 51 -0.402 -12.873 -7.316 407 HE1 TYR 51 HE1 TYR 51 -2.137 -9.132 -10.009 408 HE2 TYR 51 HE2 TYR 51 0.842 -10.751 -7.396 409 HH TYR 51 HH TYR 51 -0.294 -7.979 -8.154 410 H THR 52 HN THR 52 -1.602 -12.985 -11.776 411 HA THR 52 HA THR 52 1.117 -14.090 -11.339 412 HB THR 52 HB THR 52 1.351 -13.568 -13.883 413 HG1 THR 52 HG1 THR 52 -1.432 -13.999 -13.682 414 1HG2 THR 52 HG21 THR 52 1.405 -15.757 -14.061 415 2HG2 THR 52 HG22 THR 52 -0.357 -15.804 -14.037 416 3HG2 THR 52 HG23 THR 52 0.551 -15.926 -12.529 417 H HIS 53 HN HIS 53 2.831 -12.571 -12.336 418 HA HIS 53 HA HIS 53 3.863 -10.552 -12.487 419 1HB HIS 53 HB3 HIS 53 1.040 -9.510 -12.612 420 2HB HIS 53 HB2 HIS 53 2.439 -8.446 -12.675 421 HD1 HIS 53 HD1 HIS 53 4.240 -9.665 -14.689 422 HD2 HIS 53 HD2 HIS 53 0.109 -9.760 -15.126 423 HE1 HIS 53 HE1 HIS 53 3.832 -9.915 -17.158 424 HE2 HIS 53 HE2 HIS 53 1.348 -9.575 -17.401 425 H TYR 54 HN TYR 54 3.530 -8.156 -11.293 426 HA TYR 54 HA TYR 54 3.000 -8.665 -8.460 427 1HB TYR 54 HB2 TYR 54 5.614 -7.646 -9.573 428 2HB TYR 54 HB3 TYR 54 5.161 -7.455 -7.886 429 HD1 TYR 54 HD1 TYR 54 4.293 -9.844 -6.860 430 HD2 TYR 54 HD2 TYR 54 7.120 -9.288 -9.992 431 HE1 TYR 54 HE1 TYR 54 5.287 -12.016 -6.329 432 HE2 TYR 54 HE2 TYR 54 8.122 -11.495 -9.477 433 HH TYR 54 HH TYR 54 6.828 -13.830 -8.095 434 H SER 55 HN SER 55 1.445 -7.184 -8.131 435 HA SER 55 HA SER 55 1.320 -4.717 -9.521 436 1HB SER 55 HB3 SER 55 -0.198 -5.672 -7.078 437 2HB SER 55 HB2 SER 55 -0.548 -4.180 -7.949 438 HG SER 55 HG SER 55 -1.688 -6.340 -8.475 439 H SER 56 HN SER 56 1.828 -2.728 -8.985 440 HA SER 56 HA SER 56 2.810 -2.014 -6.341 441 1HB SER 56 HB3 SER 56 4.573 -1.875 -8.811 442 2HB SER 56 HB2 SER 56 4.964 -1.131 -7.260 443 HG SER 56 HG SER 56 4.277 -3.810 -7.212 444 H ILE 57 HN ILE 57 2.150 0.011 -5.918 445 HA ILE 57 HA ILE 57 1.012 1.567 -8.107 446 HB ILE 57 HB ILE 57 0.558 1.427 -5.164 447 1HG1 ILE 57 HG13 ILE 57 -0.829 0.240 -6.881 448 2HG1 ILE 57 HG12 ILE 57 -1.747 1.319 -5.831 449 1HG2 ILE 57 HG21 ILE 57 1.084 3.866 -5.771 450 2HG2 ILE 57 HG22 ILE 57 -0.429 3.835 -6.664 451 3HG2 ILE 57 HG23 ILE 57 -0.423 3.540 -4.925 452 1HD1 ILE 57 HD11 ILE 57 -2.648 2.038 -7.729 453 2HD1 ILE 57 HD12 ILE 57 -1.161 2.973 -7.907 454 3HD1 ILE 57 HD13 ILE 57 -1.330 1.414 -8.721 455 H ARG 58 HN ARG 58 2.021 3.199 -8.889 456 HA ARG 58 HA ARG 58 4.560 4.125 -8.088 457 1HB ARG 58 HB3 ARG 58 3.377 4.520 -10.345 458 2HB ARG 58 HB2 ARG 58 2.504 5.781 -9.500 459 1HG ARG 58 HG2 ARG 58 4.584 6.934 -9.016 460 2HG ARG 58 HG3 ARG 58 5.470 5.686 -9.899 461 1HD ARG 58 HD3 ARG 58 4.393 6.258 -11.955 462 2HD ARG 58 HD2 ARG 58 3.268 7.332 -11.128 463 HE ARG 58 HE ARG 58 4.774 8.974 -11.388 464 1HH1 ARG 58 HH11 ARG 58 6.956 6.365 -12.653 465 2HH1 ARG 58 HH12 ARG 58 7.676 6.351 -11.066 466 1HH2 ARG 58 HH21 ARG 58 6.846 9.979 -11.435 467 2HH2 ARG 58 HH22 ARG 58 8.215 9.003 -11.893 468 H LEU 59 HN LEU 59 5.128 5.471 -6.576 469 HA LEU 59 HA LEU 59 3.049 6.797 -4.984 470 1HB LEU 59 HB2 LEU 59 4.570 5.084 -3.941 471 2HB LEU 59 HB3 LEU 59 5.907 6.180 -4.228 472 HG LEU 59 HG LEU 59 4.869 7.832 -2.706 473 1HD1 LEU 59 HD11 LEU 59 3.034 6.684 -1.191 474 2HD1 LEU 59 HD12 LEU 59 2.607 7.585 -2.646 475 3HD1 LEU 59 HD13 LEU 59 2.696 5.818 -2.688 476 1HD2 LEU 59 HD21 LEU 59 6.366 6.687 -1.497 477 2HD2 LEU 59 HD22 LEU 59 4.918 6.130 -0.654 478 3HD2 LEU 59 HD23 LEU 59 5.664 5.118 -1.897 479 H ASP 60 HN ASP 60 3.691 8.113 -7.350 480 HA ASP 60 HA ASP 60 5.472 10.227 -6.410 481 1HB ASP 60 HB3 ASP 60 6.413 9.118 -8.337 482 2HB ASP 60 HB2 ASP 60 4.893 9.258 -9.216 483 H LYS 61 HN LYS 61 2.557 9.751 -8.590 484 HA LYS 61 HA LYS 61 1.530 12.210 -7.415 485 1HB LYS 61 HB3 LYS 61 2.220 11.922 -10.305 486 2HB LYS 61 HB2 LYS 61 0.952 13.023 -9.779 487 1HG LYS 61 HG3 LYS 61 3.794 13.070 -8.811 488 2HG LYS 61 HG2 LYS 61 3.111 14.141 -10.041 489 1HD LYS 61 HD2 LYS 61 1.538 15.039 -8.421 490 2HD LYS 61 HD3 LYS 61 2.122 13.921 -7.186 491 1HE LYS 61 HE2 LYS 61 4.392 14.985 -7.460 492 2HE LYS 61 HE3 LYS 61 3.596 16.216 -8.439 493 1HZ LYS 61 HZ1 LYS 61 2.513 17.081 -6.656 494 2HZ LYS 61 HZ2 LYS 61 3.918 16.548 -5.872 495 3HZ LYS 61 HZ3 LYS 61 2.507 15.618 -5.793 496 H TYR 62 HN TYR 62 0.197 10.038 -6.762 497 HA TYR 62 HA TYR 62 -1.966 9.696 -8.748 498 1HB TYR 62 HB3 TYR 62 -2.785 7.895 -7.253 499 2HB TYR 62 HB2 TYR 62 -1.135 7.627 -7.799 500 HD1 TYR 62 HD1 TYR 62 -3.175 8.657 -4.888 501 HD2 TYR 62 HD2 TYR 62 0.623 7.366 -6.272 502 HE1 TYR 62 HE1 TYR 62 -2.433 8.350 -2.562 503 HE2 TYR 62 HE2 TYR 62 1.385 7.029 -3.951 504 HH TYR 62 HH TYR 62 0.051 8.338 -1.362 505 H ASN 63 HN ASN 63 -4.171 9.959 -8.027 506 HA ASN 63 HA ASN 63 -4.492 12.121 -6.081 507 1HB ASN 63 HB3 ASN 63 -6.432 10.975 -8.096 508 2HB ASN 63 HB2 ASN 63 -6.815 12.258 -6.957 509 1HD2 ASN 63 HD21 ASN 63 -6.415 11.947 -10.024 510 2HD2 ASN 63 HD22 ASN 63 -5.782 13.508 -10.365 511 H ILE 64 HN ILE 64 -4.487 11.250 -4.101 512 HA ILE 64 HA ILE 64 -6.038 8.844 -3.647 513 HB ILE 64 HB ILE 64 -3.789 8.795 -2.769 514 1HG1 ILE 64 HG12 ILE 64 -5.612 9.171 -0.403 515 2HG1 ILE 64 HG13 ILE 64 -5.751 7.791 -1.492 516 1HG2 ILE 64 HG21 ILE 64 -3.181 10.349 -0.869 517 2HG2 ILE 64 HG22 ILE 64 -3.205 11.054 -2.487 518 3HG2 ILE 64 HG23 ILE 64 -4.550 11.336 -1.377 519 1HD1 ILE 64 HD11 ILE 64 -3.313 7.313 -0.965 520 2HD1 ILE 64 HD12 ILE 64 -3.466 8.538 0.295 521 3HD1 ILE 64 HD13 ILE 64 -4.468 7.091 0.350 522 H ARG 65 HN ARG 65 -7.715 8.704 -2.224 523 HA ARG 65 HA ARG 65 -8.717 11.137 -0.895 524 1HB ARG 65 HB3 ARG 65 -10.527 9.181 -2.308 525 2HB ARG 65 HB2 ARG 65 -10.940 10.747 -1.627 526 1HG ARG 65 HG2 ARG 65 -9.203 10.289 -4.058 527 2HG ARG 65 HG3 ARG 65 -10.891 10.825 -4.064 528 1HD ARG 65 HD3 ARG 65 -10.336 12.895 -3.136 529 2HD ARG 65 HD2 ARG 65 -8.782 12.323 -2.533 530 HE ARG 65 HE ARG 65 -8.834 12.194 -5.358 531 1HH1 ARG 65 HH11 ARG 65 -7.687 14.339 -2.735 532 2HH1 ARG 65 HH12 ARG 65 -8.639 15.581 -3.493 533 1HH2 ARG 65 HH21 ARG 65 -8.240 14.513 -6.594 534 2HH2 ARG 65 HH22 ARG 65 -6.681 14.452 -5.819 535 H GLN 66 HN GLN 66 -10.084 10.677 0.939 536 HA GLN 66 HA GLN 66 -10.126 7.904 1.899 537 1HB GLN 66 HB3 GLN 66 -9.232 8.574 4.114 538 2HB GLN 66 HB2 GLN 66 -8.055 8.793 2.827 539 1HG GLN 66 HG2 GLN 66 -9.743 11.098 3.637 540 2HG GLN 66 HG3 GLN 66 -8.379 10.631 4.648 541 1HE2 GLN 66 HE21 GLN 66 -7.143 9.690 1.946 542 2HE2 GLN 66 HE22 GLN 66 -6.383 11.139 1.400 543 H HIS 67 HN HIS 67 -12.018 7.419 2.925 544 HA HIS 67 HA HIS 67 -13.723 9.701 3.647 545 1HB HIS 67 HB3 HIS 67 -14.501 6.918 2.749 546 2HB HIS 67 HB2 HIS 67 -15.635 8.146 3.310 547 HD1 HIS 67 HD1 HIS 67 -15.695 10.399 1.802 548 HD2 HIS 67 HD2 HIS 67 -13.958 7.053 0.058 549 HE1 HIS 67 HE1 HIS 67 -15.712 10.820 -0.672 550 HE2 HIS 67 HE2 HIS 67 -14.476 8.899 -1.661 551 H THR 68 HN THR 68 -13.275 9.935 5.793 552 HA THR 68 HA THR 68 -13.151 7.599 7.519 553 HB THR 68 HB THR 68 -12.985 10.460 8.391 554 HG1 THR 68 HG1 THR 68 -10.866 10.519 7.782 555 1HG2 THR 68 HG21 THR 68 -12.109 7.841 9.460 556 2HG2 THR 68 HG22 THR 68 -12.733 9.266 10.289 557 3HG2 THR 68 HG23 THR 68 -11.059 9.238 9.736 558 H THR 69 HN THR 69 -15.596 7.564 6.571 559 HA THR 69 HA THR 69 -17.385 9.081 8.226 560 HB THR 69 HB THR 69 -19.139 7.856 6.850 561 HG1 THR 69 HG1 THR 69 -18.404 6.184 5.837 562 1HG2 THR 69 HG21 THR 69 -17.586 10.019 6.137 563 2HG2 THR 69 HG22 THR 69 -19.093 9.511 5.375 564 3HG2 THR 69 HG23 THR 69 -17.543 8.979 4.711 565 H ASP 70 HN ASP 70 -16.099 5.865 7.983 566 HA ASP 70 HA ASP 70 -17.129 5.134 10.566 567 1HB ASP 70 HB3 ASP 70 -19.071 4.590 9.152 568 2HB ASP 70 HB2 ASP 70 -18.056 3.584 8.132 569 H GLU 71 HN GLU 71 -16.295 3.184 7.739 570 HA GLU 71 HA GLU 71 -14.053 2.075 9.249 571 1HB GLU 71 HB3 GLU 71 -15.367 1.190 6.661 572 2HB GLU 71 HB2 GLU 71 -13.998 0.377 7.409 573 1HG GLU 71 HG3 GLU 71 -15.310 -0.285 9.281 574 2HG GLU 71 HG2 GLU 71 -16.624 0.795 8.819 575 H ASP 72 HN ASP 72 -12.115 2.910 8.930 576 HA ASP 72 HA ASP 72 -11.474 5.011 7.286 577 1HB ASP 72 HB3 ASP 72 -9.514 2.894 8.191 578 2HB ASP 72 HB2 ASP 72 -9.162 4.576 7.826 579 H THR 73 HN THR 73 -12.091 4.809 5.182 580 HA THR 73 HA THR 73 -10.861 2.661 3.615 581 HB THR 73 HB THR 73 -13.128 4.497 2.863 582 HG1 THR 73 HG1 THR 73 -13.489 3.002 4.667 583 1HG2 THR 73 HG21 THR 73 -11.690 2.466 1.370 584 2HG2 THR 73 HG22 THR 73 -12.862 3.661 0.819 585 3HG2 THR 73 HG23 THR 73 -13.420 2.128 1.484 586 H ILE 74 HN ILE 74 -9.235 3.068 2.354 587 HA ILE 74 HA ILE 74 -8.671 5.821 1.551 588 HB ILE 74 HB ILE 74 -6.819 3.448 1.887 589 1HG1 ILE 74 HG13 ILE 74 -7.436 4.705 3.925 590 2HG1 ILE 74 HG12 ILE 74 -5.726 4.859 3.538 591 1HG2 ILE 74 HG21 ILE 74 -5.428 5.867 1.256 592 2HG2 ILE 74 HG22 ILE 74 -5.355 4.285 0.476 593 3HG2 ILE 74 HG23 ILE 74 -6.568 5.456 -0.025 594 1HD1 ILE 74 HD11 ILE 74 -7.872 6.903 3.192 595 2HD1 ILE 74 HD12 ILE 74 -6.415 6.973 4.192 596 3HD1 ILE 74 HD13 ILE 74 -6.279 7.025 2.442 597 H VAL 75 HN VAL 75 -8.781 6.333 -0.585 598 HA VAL 75 HA VAL 75 -8.735 4.143 -2.516 599 HB VAL 75 HB VAL 75 -10.488 5.022 -3.769 600 1HG1 VAL 75 HG11 VAL 75 -11.420 5.511 -0.963 601 2HG1 VAL 75 HG12 VAL 75 -12.398 5.010 -2.343 602 3HG1 VAL 75 HG13 VAL 75 -11.205 3.904 -1.664 603 1HG2 VAL 75 HG21 VAL 75 -10.034 7.318 -3.898 604 2HG2 VAL 75 HG22 VAL 75 -11.634 7.200 -3.153 605 3HG2 VAL 75 HG23 VAL 75 -10.208 7.516 -2.154 606 H LEU 76 HN LEU 76 -7.908 4.737 -4.585 607 HA LEU 76 HA LEU 76 -6.701 7.358 -4.875 608 1HB LEU 76 HB2 LEU 76 -4.528 6.315 -5.549 609 2HB LEU 76 HB3 LEU 76 -4.872 6.245 -3.833 610 HG LEU 76 HG LEU 76 -5.660 3.927 -5.504 611 1HD1 LEU 76 HD21 LEU 76 -2.956 3.599 -4.544 612 2HD1 LEU 76 HD22 LEU 76 -3.624 3.325 -6.157 613 3HD1 LEU 76 HD23 LEU 76 -3.082 4.935 -5.691 614 1HD2 LEU 76 HD11 LEU 76 -4.345 3.080 -3.219 615 2HD2 LEU 76 HD12 LEU 76 -5.199 4.530 -2.700 616 3HD2 LEU 76 HD13 LEU 76 -6.090 3.194 -3.433 617 H GLN 77 HN GLN 77 -6.856 8.043 -6.927 618 HA GLN 77 HA GLN 77 -7.839 5.984 -8.754 619 1HB GLN 77 HB3 GLN 77 -9.321 7.887 -8.217 620 2HB GLN 77 HB2 GLN 77 -8.211 8.952 -9.063 621 1HG GLN 77 HG3 GLN 77 -8.565 7.421 -11.097 622 2HG GLN 77 HG2 GLN 77 -9.927 6.762 -10.187 623 1HE2 GLN 77 HE21 GLN 77 -11.729 7.541 -10.941 624 2HE2 GLN 77 HE22 GLN 77 -12.018 9.183 -11.407 625 HA PRO 78 HA PRO 78 -4.604 7.349 -11.636 626 1HB PRO 78 HB3 PRO 78 -4.816 9.604 -12.940 627 2HB PRO 78 HB2 PRO 78 -6.181 8.476 -12.901 628 1HG PRO 78 HG3 PRO 78 -5.848 11.071 -11.550 629 2HG PRO 78 HG2 PRO 78 -7.327 10.216 -12.013 630 1HD PRO 78 HD3 PRO 78 -5.943 10.219 -9.455 631 2HD PRO 78 HD2 PRO 78 -7.536 9.549 -9.872 632 H GLN 79 HN GLN 79 -2.932 8.497 -12.548 633 HA GLN 79 HA GLN 79 -1.336 10.492 -11.236 634 1HB GLN 79 HB3 GLN 79 0.203 8.091 -12.104 635 2HB GLN 79 HB2 GLN 79 0.536 9.202 -10.784 636 1HG GLN 79 HG2 GLN 79 -1.518 8.008 -9.710 637 2HG GLN 79 HG3 GLN 79 -1.088 6.741 -10.846 638 1HE2 GLN 79 HE21 GLN 79 -0.320 5.241 -9.522 639 2HE2 GLN 79 HE22 GLN 79 0.867 5.512 -8.302 640 H GLU 80 HN GLU 80 -1.747 7.957 -13.509 641 HA GLU 80 HA GLU 80 -1.265 9.755 -15.785 642 1HB GLU 80 HB2 GLU 80 0.664 8.292 -15.673 643 2HB GLU 80 HB3 GLU 80 -0.358 6.882 -15.449 644 1HG GLU 80 HG2 GLU 80 -1.289 7.293 -17.725 645 2HG GLU 80 HG3 GLU 80 -0.065 8.547 -17.933 646 HA PRO 81 HA PRO 81 -5.424 8.558 -16.773 647 1HB PRO 81 HB3 PRO 81 -4.599 8.727 -19.609 648 2HB PRO 81 HB2 PRO 81 -5.887 9.575 -18.752 649 1HG PRO 81 HG3 PRO 81 -3.597 10.797 -19.477 650 2HG PRO 81 HG2 PRO 81 -4.493 11.235 -18.011 651 1HD PRO 81 HD2 PRO 81 -1.981 9.671 -18.311 652 2HD PRO 81 HD3 PRO 81 -2.496 10.740 -16.992 653 H GLY 82 HN GLY 82 -5.963 6.480 -16.422 654 1HA GLY 82 HA1 GLY 82 -6.472 4.438 -17.815 655 2HA GLY 82 HA2 GLY 82 -4.750 4.447 -18.188 656 H LEU 83 HN LEU 83 -5.382 5.490 -15.044 657 HA LEU 83 HA LEU 83 -4.587 2.886 -13.955 658 1HB LEU 83 HB3 LEU 83 -3.102 4.848 -13.536 659 2HB LEU 83 HB2 LEU 83 -4.426 5.634 -12.705 660 HG LEU 83 HG LEU 83 -4.408 3.780 -11.049 661 1HD1 LEU 83 HD11 LEU 83 -1.717 2.954 -11.499 662 2HD1 LEU 83 HD12 LEU 83 -3.161 1.965 -11.323 663 3HD1 LEU 83 HD13 LEU 83 -2.686 2.570 -12.918 664 1HD2 LEU 83 HD21 LEU 83 -3.183 5.193 -9.819 665 2HD2 LEU 83 HD22 LEU 83 -1.715 4.702 -10.659 666 3HD2 LEU 83 HD23 LEU 83 -2.696 6.023 -11.298 667 HA PRO 84 HA PRO 84 -8.722 2.657 -12.303 668 1HB PRO 84 HB2 PRO 84 -8.447 0.350 -10.960 669 2HB PRO 84 HB3 PRO 84 -8.438 0.383 -12.725 670 1HG PRO 84 HG2 PRO 84 -6.124 0.239 -10.842 671 2HG PRO 84 HG3 PRO 84 -6.423 -0.698 -12.322 672 1HD PRO 84 HD3 PRO 84 -4.797 1.488 -12.234 673 2HD PRO 84 HD2 PRO 84 -5.700 1.009 -13.682 674 H SER 85 HN SER 85 -9.748 2.347 -10.143 675 HA SER 85 HA SER 85 -8.038 3.430 -8.014 676 1HB SER 85 HB3 SER 85 -10.129 4.591 -7.217 677 2HB SER 85 HB2 SER 85 -9.504 5.169 -8.762 678 HG SER 85 HG SER 85 -11.143 3.232 -9.377 679 H PHE 86 HN PHE 86 -7.744 1.935 -6.489 680 HA PHE 86 HA PHE 86 -9.986 0.120 -5.906 681 1HB PHE 86 HB2 PHE 86 -8.517 -1.572 -5.292 682 2HB PHE 86 HB3 PHE 86 -7.749 -0.857 -6.700 683 HD1 PHE 86 HD1 PHE 86 -5.962 0.999 -6.142 684 HD2 PHE 86 HD2 PHE 86 -7.289 -2.032 -3.497 685 HE1 PHE 86 HE1 PHE 86 -3.878 1.216 -4.863 686 HE2 PHE 86 HE2 PHE 86 -5.191 -1.813 -2.179 687 HZ PHE 86 HZ PHE 86 -3.491 -0.184 -2.873 688 H ARG 87 HN ARG 87 -10.408 -0.449 -3.701 689 HA ARG 87 HA ARG 87 -9.784 1.788 -1.894 690 1HB ARG 87 HB2 ARG 87 -12.076 -0.173 -1.712 691 2HB ARG 87 HB3 ARG 87 -11.870 1.313 -0.795 692 1HG ARG 87 HG3 ARG 87 -12.349 2.648 -2.637 693 2HG ARG 87 HG2 ARG 87 -12.082 1.319 -3.768 694 1HD ARG 87 HD2 ARG 87 -14.049 0.179 -2.892 695 2HD ARG 87 HD3 ARG 87 -14.319 1.505 -1.760 696 HE ARG 87 HE ARG 87 -14.229 2.580 -4.349 697 1HH1 ARG 87 HH11 ARG 87 -16.988 0.729 -2.475 698 2HH1 ARG 87 HH12 ARG 87 -16.945 0.024 -4.067 699 1HH2 ARG 87 HH21 ARG 87 -16.557 2.284 -5.787 700 2HH2 ARG 87 HH22 ARG 87 -16.975 3.470 -4.593 701 H ILE 88 HN ILE 88 -9.049 1.425 0.163 702 HA ILE 88 HA ILE 88 -8.729 -1.391 0.950 703 HB ILE 88 HB ILE 88 -6.573 -0.546 2.149 704 1HG1 ILE 88 HG12 ILE 88 -6.746 1.358 -0.186 705 2HG1 ILE 88 HG13 ILE 88 -6.827 1.815 1.511 706 1HG2 ILE 88 HG21 ILE 88 -5.494 -1.843 0.663 707 2HG2 ILE 88 HG22 ILE 88 -7.088 -2.074 -0.053 708 3HG2 ILE 88 HG23 ILE 88 -5.984 -0.868 -0.723 709 1HD1 ILE 88 HD11 ILE 88 -4.631 2.060 1.495 710 2HD1 ILE 88 HD12 ILE 88 -4.474 0.331 1.183 711 3HD1 ILE 88 HD13 ILE 88 -4.549 1.460 -0.166 712 H LYS 89 HN LYS 89 -9.655 -1.826 2.786 713 HA LYS 89 HA LYS 89 -9.944 0.304 4.790 714 1HB LYS 89 HB3 LYS 89 -12.173 -0.247 5.264 715 2HB LYS 89 HB2 LYS 89 -12.104 -0.284 3.510 716 1HG LYS 89 HG2 LYS 89 -12.327 -2.552 3.376 717 2HG LYS 89 HG3 LYS 89 -11.741 -2.824 5.026 718 1HD LYS 89 HD3 LYS 89 -13.785 -1.862 5.916 719 2HD LYS 89 HD2 LYS 89 -14.371 -1.501 4.291 720 1HE LYS 89 HE2 LYS 89 -14.453 -3.896 3.800 721 2HE LYS 89 HE3 LYS 89 -13.790 -4.270 5.391 722 1HZ LYS 89 HZ1 LYS 89 -16.448 -4.011 4.729 723 2HZ LYS 89 HZ2 LYS 89 -16.073 -2.620 5.630 724 3HZ LYS 89 HZ3 LYS 89 -15.774 -4.150 6.286 725 HA PRO 90 HA PRO 90 -8.186 -2.489 7.693 726 1HB PRO 90 HB3 PRO 90 -9.704 -2.289 9.924 727 2HB PRO 90 HB2 PRO 90 -8.641 -0.986 9.368 728 1HG PRO 90 HG2 PRO 90 -11.591 -1.353 9.010 729 2HG PRO 90 HG3 PRO 90 -10.712 0.120 9.471 730 1HD PRO 90 HD2 PRO 90 -11.574 -0.317 6.951 731 2HD PRO 90 HD3 PRO 90 -10.067 0.552 7.295 732 H LYS 91 HN LYS 91 -10.939 -3.467 6.238 733 HA LYS 91 HA LYS 91 -12.250 -5.332 6.251 734 1HB LYS 91 HB2 LYS 91 -9.974 -6.205 5.688 735 2HB LYS 91 HB3 LYS 91 -9.761 -6.589 7.390 736 1HG LYS 91 HG2 LYS 91 -10.364 -8.567 6.180 737 2HG LYS 91 HG3 LYS 91 -11.689 -8.096 7.247 738 1HD LYS 91 HD3 LYS 91 -12.562 -6.826 5.139 739 2HD LYS 91 HD2 LYS 91 -11.520 -7.960 4.274 740 1HE LYS 91 HE2 LYS 91 -13.854 -8.572 6.065 741 2HE LYS 91 HE3 LYS 91 -13.660 -8.932 4.352 742 1HZ LYS 91 HZ1 LYS 91 -13.265 -10.967 5.390 743 2HZ LYS 91 HZ2 LYS 91 -12.379 -10.271 6.660 744 3HZ LYS 91 HZ3 LYS 91 -11.705 -10.363 5.109 745 H ASP 92 HN ASP 92 -12.814 -3.809 8.325 746 HA ASP 92 HA ASP 92 -12.866 -3.896 10.809 747 1HB ASP 92 HB2 ASP 92 -15.313 -4.098 11.005 748 2HB ASP 92 HB3 ASP 92 -14.768 -3.023 9.731 749 H PHE 93 HN PHE 93 -11.989 -5.251 12.129 750 HA PHE 93 HA PHE 93 -13.396 -7.584 12.968 751 1HB PHE 93 HB2 PHE 93 -12.339 -8.549 10.971 752 2HB PHE 93 HB3 PHE 93 -10.776 -7.920 11.483 753 HD1 PHE 93 HD1 PHE 93 -13.495 -9.960 13.005 754 HD2 PHE 93 HD2 PHE 93 -9.335 -9.496 12.297 755 HE1 PHE 93 HE1 PHE 93 -13.085 -12.080 14.200 756 HE2 PHE 93 HE2 PHE 93 -8.907 -11.615 13.481 757 HZ PHE 93 HZ PHE 93 -10.777 -12.904 14.441 758 H GLU 94 HN GLU 94 -13.074 -7.633 15.116 759 HA GLU 94 HA GLU 94 -12.200 -7.299 17.183 760 1HB GLU 94 HB3 GLU 94 -9.622 -7.877 15.720 761 2HB GLU 94 HB2 GLU 94 -9.784 -7.830 17.470 762 1HG GLU 94 HG3 GLU 94 -11.076 -9.763 15.558 763 2HG GLU 94 HG2 GLU 94 -9.819 -10.110 16.744 764 H THR 95 HN THR 95 -9.093 -6.167 16.460 765 HA THR 95 HA THR 95 -9.943 -3.346 16.701 766 HB THR 95 HB THR 95 -7.730 -3.137 18.046 767 HG1 THR 95 HG1 THR 95 -7.420 -5.570 17.572 768 1HG2 THR 95 HG21 THR 95 -10.267 -3.200 18.876 769 2HG2 THR 95 HG22 THR 95 -8.888 -3.050 19.967 770 3HG2 THR 95 HG23 THR 95 -9.634 -4.626 19.713 771 H SER 96 HN SER 96 -9.186 -4.961 14.360 772 HA SER 96 HA SER 96 -6.528 -4.141 13.624 773 1HB SER 96 HB3 SER 96 -7.462 -6.210 12.724 774 2HB SER 96 HB2 SER 96 -8.757 -5.314 11.935 775 HG SER 96 HG SER 96 -6.004 -5.388 11.349 776 H GLU 97 HN GLU 97 -9.415 -2.513 13.876 777 HA GLU 97 HA GLU 97 -9.325 -0.845 11.580 778 1HB GLU 97 HB2 GLU 97 -11.287 -1.264 13.186 779 2HB GLU 97 HB3 GLU 97 -10.520 -0.082 14.234 780 1HG GLU 97 HG2 GLU 97 -10.551 1.522 12.334 781 2HG GLU 97 HG3 GLU 97 -11.525 0.358 11.437 782 H TYR 98 HN TYR 98 -8.090 -0.625 14.893 783 HA TYR 98 HA TYR 98 -7.127 2.033 14.700 784 1HB TYR 98 HB2 TYR 98 -6.644 -0.253 16.561 785 2HB TYR 98 HB3 TYR 98 -5.659 1.202 16.683 786 HD1 TYR 98 HD1 TYR 98 -9.346 0.412 16.330 787 HD2 TYR 98 HD2 TYR 98 -6.321 2.699 18.279 788 HE1 TYR 98 HE1 TYR 98 -11.036 1.452 17.773 789 HE2 TYR 98 HE2 TYR 98 -8.011 3.773 19.662 790 HH TYR 98 HH TYR 98 -11.139 3.877 19.033 791 H VAL 99 HN VAL 99 -5.990 -0.875 13.356 792 HA VAL 99 HA VAL 99 -3.175 -0.140 13.247 793 HB VAL 99 HB VAL 99 -4.644 -2.231 11.611 794 1HG1 VAL 99 HG21 VAL 99 -1.705 -2.137 12.222 795 2HG1 VAL 99 HG22 VAL 99 -2.546 -3.007 10.938 796 3HG1 VAL 99 HG23 VAL 99 -2.380 -1.258 10.847 797 1HG2 VAL 99 HG11 VAL 99 -4.239 -2.245 14.322 798 2HG2 VAL 99 HG12 VAL 99 -4.559 -3.642 13.297 799 3HG2 VAL 99 HG13 VAL 99 -2.897 -3.207 13.695 800 H ARG 100 HN ARG 100 -5.965 -0.359 11.127 801 HA ARG 100 HA ARG 100 -4.736 0.862 8.881 802 1HB ARG 100 HB2 ARG 100 -7.414 -0.085 9.630 803 2HB ARG 100 HB3 ARG 100 -7.389 1.243 8.472 804 1HG ARG 100 HG2 ARG 100 -5.468 -0.851 7.820 805 2HG ARG 100 HG3 ARG 100 -7.138 -1.428 7.844 806 1HD ARG 100 HD2 ARG 100 -6.462 -0.629 5.630 807 2HD ARG 100 HD3 ARG 100 -7.771 0.345 6.301 808 HE ARG 100 HE ARG 100 -5.149 1.411 6.845 809 1HH1 ARG 100 HH11 ARG 100 -8.191 2.460 5.403 810 2HH1 ARG 100 HH12 ARG 100 -7.557 2.041 3.838 811 1HH2 ARG 100 HH21 ARG 100 -4.556 3.210 4.612 812 2HH2 ARG 100 HH22 ARG 100 -5.545 4.097 5.731 813 H LYS 101 HN LYS 101 -6.266 2.077 11.705 814 HA LYS 101 HA LYS 101 -7.013 4.654 10.802 815 1HB LYS 101 HB2 LYS 101 -7.529 3.319 13.023 816 2HB LYS 101 HB3 LYS 101 -6.109 4.162 13.608 817 1HG LYS 101 HG3 LYS 101 -7.109 6.234 13.442 818 2HG LYS 101 HG2 LYS 101 -8.372 5.655 12.352 819 1HD LYS 101 HD3 LYS 101 -8.064 4.917 15.261 820 2HD LYS 101 HD2 LYS 101 -9.255 6.034 14.596 821 1HE LYS 101 HE2 LYS 101 -9.050 3.098 13.981 822 2HE LYS 101 HE3 LYS 101 -10.230 3.866 15.040 823 1HZ LYS 101 HZ1 LYS 101 -11.442 3.738 13.104 824 2HZ LYS 101 HZ2 LYS 101 -10.072 3.864 12.104 825 3HZ LYS 101 HZ3 LYS 101 -10.704 5.248 12.852 826 H ALA 102 HN ALA 102 -4.045 3.151 11.833 827 HA ALA 102 HA ALA 102 -2.551 5.585 12.084 828 1HB ALA 102 HB1 ALA 102 -1.267 3.974 13.088 829 2HB ALA 102 HB2 ALA 102 -1.908 2.687 12.068 830 3HB ALA 102 HB3 ALA 102 -0.645 3.756 11.452 831 H TRP 103 HN TRP 103 -2.611 2.938 9.767 832 HA TRP 103 HA TRP 103 -1.264 3.833 7.627 833 1HB TRP 103 HB3 TRP 103 -3.847 2.289 7.689 834 2HB TRP 103 HB2 TRP 103 -3.113 2.744 6.157 835 HD1 TRP 103 HD1 TRP 103 -2.283 0.525 9.262 836 HE1 TRP 103 HE1 TRP 103 -0.553 -1.199 8.526 837 HE3 TRP 103 HE3 TRP 103 -1.409 2.181 4.492 838 HZ2 TRP 103 HZ2 TRP 103 0.958 -1.826 6.225 839 HZ3 TRP 103 HZ3 TRP 103 0.220 0.959 3.117 840 HH2 TRP 103 HH2 TRP 103 1.379 -1.006 3.949 841 H LEU 104 HN LEU 104 -4.364 5.146 8.633 842 HA LEU 104 HA LEU 104 -4.995 6.588 6.254 843 1HB LEU 104 HB2 LEU 104 -5.926 6.512 9.030 844 2HB LEU 104 HB3 LEU 104 -5.980 8.115 8.329 845 HG LEU 104 HG LEU 104 -8.120 6.715 8.163 846 1HD1 LEU 104 HD21 LEU 104 -7.632 8.785 6.896 847 2HD1 LEU 104 HD22 LEU 104 -7.004 7.782 5.587 848 3HD1 LEU 104 HD23 LEU 104 -8.700 7.656 6.062 849 1HD2 LEU 104 HD11 LEU 104 -6.399 5.314 6.158 850 2HD2 LEU 104 HD12 LEU 104 -7.240 4.631 7.553 851 3HD2 LEU 104 HD13 LEU 104 -8.166 5.221 6.180 852 H ARG 105 HN ARG 105 -3.429 7.457 9.249 853 HA ARG 105 HA ARG 105 -2.667 10.104 8.463 854 1HB ARG 105 HB2 ARG 105 -2.876 9.533 10.806 855 2HB ARG 105 HB3 ARG 105 -1.636 8.300 10.658 856 1HG ARG 105 HG3 ARG 105 0.035 10.012 10.252 857 2HG ARG 105 HG2 ARG 105 -1.207 11.267 10.312 858 1HD ARG 105 HD2 ARG 105 -1.693 10.647 12.642 859 2HD ARG 105 HD3 ARG 105 -0.445 9.403 12.569 860 HE ARG 105 HE ARG 105 1.095 11.048 12.991 861 1HH1 ARG 105 HH12 ARG 105 -1.226 13.288 10.998 862 2HH1 ARG 105 HH11 ARG 105 -1.690 13.614 12.644 863 1HH2 ARG 105 HH21 ARG 105 1.162 13.773 13.769 864 2HH2 ARG 105 HH22 ARG 105 1.623 13.979 12.099 865 H ASP 106 HN ASP 106 -1.012 6.971 8.539 866 HA ASP 106 HA ASP 106 1.518 7.846 7.658 867 1HB ASP 106 HB2 ASP 106 0.145 5.159 7.482 868 2HB ASP 106 HB3 ASP 106 1.815 5.410 6.981 869 H ILE 107 HN ILE 107 -1.449 7.219 5.907 870 HA ILE 107 HA ILE 107 -0.036 7.267 3.342 871 HB ILE 107 HB ILE 107 -2.084 5.725 3.990 872 1HG1 ILE 107 HG13 ILE 107 -2.748 5.704 1.533 873 2HG1 ILE 107 HG12 ILE 107 -1.714 7.114 1.318 874 1HG2 ILE 107 HG21 ILE 107 -3.818 7.578 2.583 875 2HG2 ILE 107 HG22 ILE 107 -4.129 6.566 3.996 876 3HG2 ILE 107 HG23 ILE 107 -3.347 8.134 4.192 877 1HD1 ILE 107 HD11 ILE 107 -0.709 4.478 2.359 878 2HD1 ILE 107 HD12 ILE 107 -0.657 4.977 0.665 879 3HD1 ILE 107 HD13 ILE 107 0.234 5.897 1.888 880 H ALA 108 HN ALA 108 -1.927 9.286 5.445 881 HA ALA 108 HA ALA 108 -2.696 11.256 3.541 882 1HB ALA 108 HB1 ALA 108 -2.447 12.378 6.161 883 2HB ALA 108 HB2 ALA 108 -3.913 11.958 5.267 884 3HB ALA 108 HB3 ALA 108 -3.129 10.754 6.286 885 H GLU 109 HN GLU 109 0.169 10.384 5.020 886 HA GLU 109 HA GLU 109 1.637 12.520 3.800 887 1HB GLU 109 HB3 GLU 109 2.828 13.066 6.009 888 2HB GLU 109 HB2 GLU 109 1.242 13.771 5.739 889 1HG GLU 109 HG2 GLU 109 0.222 12.143 7.165 890 2HG GLU 109 HG3 GLU 109 1.770 11.331 7.405 891 H GLU 110 HN GLU 110 2.140 10.417 2.786 892 HA GLU 110 HA GLU 110 3.651 8.439 4.147 893 1HB GLU 110 HB3 GLU 110 4.147 8.789 1.259 894 2HB GLU 110 HB2 GLU 110 3.705 7.351 2.166 895 1HG GLU 110 HG2 GLU 110 1.858 7.659 0.822 896 2HG GLU 110 HG3 GLU 110 1.361 8.480 2.299 897 H GLN 111 HN GLN 111 5.682 8.442 4.731 898 HA GLN 111 HA GLN 111 7.661 9.356 5.379 899 1HB GLN 111 HB3 GLN 111 9.371 9.292 3.676 900 2HB GLN 111 HB2 GLN 111 8.261 7.955 3.444 901 1HG GLN 111 HG2 GLN 111 7.684 10.371 1.870 902 2HG GLN 111 HG3 GLN 111 9.169 9.506 1.472 903 1HE2 GLN 111 HE21 GLN 111 6.069 9.790 0.649 904 2HE2 GLN 111 HE22 GLN 111 5.659 8.180 0.175 905 H GLU 112 HN GLU 112 6.001 11.229 5.747 906 HA GLU 112 HA GLU 112 6.102 13.591 4.330 907 1HB GLU 112 HB3 GLU 112 5.248 14.673 6.364 908 2HB GLU 112 HB2 GLU 112 4.422 13.165 6.007 909 1HG GLU 112 HG2 GLU 112 4.701 12.878 8.224 910 2HG GLU 112 HG3 GLU 112 6.236 12.205 7.677 911 H LYS 113 HN LYS 113 8.618 12.238 6.147 912 HA LYS 113 HA LYS 113 9.966 14.646 6.923 913 1HB LYS 113 HB3 LYS 113 10.996 11.842 6.420 914 2HB LYS 113 HB2 LYS 113 12.001 13.146 7.037 915 1HG LYS 113 HG2 LYS 113 11.419 12.006 8.968 916 2HG LYS 113 HG3 LYS 113 10.210 13.289 8.908 917 1HD LYS 113 HD2 LYS 113 8.599 11.789 7.972 918 2HD LYS 113 HD3 LYS 113 9.790 10.486 7.897 919 1HE LYS 113 HE2 LYS 113 8.356 10.190 9.828 920 2HE LYS 113 HE3 LYS 113 9.994 10.578 10.353 921 1HZ LYS 113 HZ1 LYS 113 9.389 12.662 11.078 922 2HZ LYS 113 HZ2 LYS 113 7.974 11.791 11.420 923 3HZ LYS 113 HZ3 LYS 113 8.052 12.762 10.034 924 H TYR 114 HN TYR 114 10.231 12.364 4.247 925 HA TYR 114 HA TYR 114 12.202 13.794 2.806 926 1HB TYR 114 HB3 TYR 114 10.217 11.713 1.899 927 2HB TYR 114 HB2 TYR 114 11.543 12.318 0.917 928 HD1 TYR 114 HD1 TYR 114 10.870 10.559 4.156 929 HD2 TYR 114 HD2 TYR 114 13.625 11.328 0.991 930 HE1 TYR 114 HE1 TYR 114 12.374 8.845 5.072 931 HE2 TYR 114 HE2 TYR 114 15.118 9.590 1.877 932 HH TYR 114 HH TYR 114 14.783 7.401 3.382 933 H ALA 115 HN ALA 115 8.681 13.766 2.746 934 HA ALA 115 HA ALA 115 8.420 15.368 0.408 935 1HB ALA 115 HB1 ALA 115 6.331 14.660 0.539 936 2HB ALA 115 HB2 ALA 115 6.711 13.890 2.081 937 3HB ALA 115 HB3 ALA 115 6.099 15.541 2.048 938 H ALA 116 HN ALA 116 9.299 16.190 3.535 939 HA ALA 116 HA ALA 116 9.659 18.147 4.636 940 1HB ALA 116 HB1 ALA 116 10.562 18.838 2.406 941 2HB ALA 116 HB2 ALA 116 8.979 19.530 2.040 942 3HB ALA 116 HB3 ALA 116 9.930 20.166 3.380 943 H GLU 117 HN GLU 117 7.452 17.222 5.486 944 HA GLU 117 HA GLU 117 5.314 17.444 6.154 945 1HB GLU 117 HB2 GLU 117 4.890 19.466 7.454 946 2HB GLU 117 HB3 GLU 117 6.521 18.874 7.725 947 1HG GLU 117 HG2 GLU 117 7.356 20.601 6.155 948 2HG GLU 117 HG3 GLU 117 5.709 21.206 6.007 949 H ARG 118 HN ARG 118 5.187 17.553 3.437 950 HA ARG 118 HA ARG 118 2.730 18.988 3.097 951 1HB ARG 118 HB3 ARG 118 4.642 20.655 2.548 952 2HB ARG 118 HB2 ARG 118 4.901 19.662 1.123 953 1HG ARG 118 HG2 ARG 118 2.574 20.090 0.414 954 2HG ARG 118 HG3 ARG 118 2.375 21.135 1.825 955 1HD ARG 118 HD2 ARG 118 4.382 21.528 -0.387 956 2HD ARG 118 HD3 ARG 118 2.865 22.406 -0.199 957 HE ARG 118 HE ARG 118 4.354 22.666 2.174 958 1HH1 ARG 118 HH12 ARG 118 3.782 24.472 -0.804 959 2HH1 ARG 118 HH11 ARG 118 5.478 24.817 -1.000 960 1HH2 ARG 118 HH21 ARG 118 5.048 25.396 2.230 961 2HH2 ARG 118 HH22 ARG 118 6.588 24.827 1.641 962 H ASP 119 HN ASP 119 1.744 18.442 1.042 963 HA ASP 119 HA ASP 119 2.745 15.883 -0.011 964 1HB ASP 119 HB3 ASP 119 0.700 15.571 1.278 965 2HB ASP 119 HB2 ASP 119 -0.107 16.839 0.353 Start of MODEL 10 1 1H MET 1 HT1 MET 1 13.724 4.538 19.833 2 2H MET 1 HT2 MET 1 13.621 6.226 20.141 3 3H MET 1 HT3 MET 1 13.198 5.089 21.370 4 HA MET 1 HA MET 1 15.849 5.662 20.242 5 1HB MET 1 HB2 MET 1 14.931 7.181 22.001 6 2HB MET 1 HB3 MET 1 14.715 5.791 23.051 7 1HG MET 1 HG3 MET 1 17.125 5.390 23.017 8 2HG MET 1 HG2 MET 1 17.332 6.833 22.019 9 1HE MET 1 HE1 MET 1 18.769 8.222 25.305 10 2HE MET 1 HE2 MET 1 18.956 6.543 24.822 11 3HE MET 1 HE3 MET 1 19.040 7.830 23.616 12 H GLY 2 HN GLY 2 17.286 4.065 20.258 13 1HA GLY 2 HA2 GLY 2 18.349 2.132 21.053 14 2HA GLY 2 HA1 GLY 2 16.950 1.806 22.075 15 H ASP 3 HN ASP 3 17.790 -0.350 20.839 16 HA ASP 3 HA ASP 3 16.655 -0.622 18.196 17 1HB ASP 3 HB2 ASP 3 17.912 -2.601 20.097 18 2HB ASP 3 HB3 ASP 3 17.192 -3.091 18.567 19 H THR 4 HN THR 4 14.491 -0.119 18.466 20 HA THR 4 HA THR 4 12.803 -1.310 20.395 21 HB THR 4 HB THR 4 11.849 -0.303 17.717 22 HG1 THR 4 HG1 THR 4 12.760 1.235 19.928 23 1HG2 THR 4 HG21 THR 4 10.255 -1.154 19.514 24 2HG2 THR 4 HG22 THR 4 9.943 0.435 18.815 25 3HG2 THR 4 HG23 THR 4 10.693 0.300 20.408 26 H GLY 5 HN GLY 5 13.909 -2.325 17.251 27 1HA GLY 5 HA1 GLY 5 13.813 -4.436 16.316 28 2HA GLY 5 HA2 GLY 5 12.865 -4.974 17.692 29 H LYS 6 HN LYS 6 11.713 -2.163 16.155 30 HA LYS 6 HA LYS 6 9.837 -3.719 14.508 31 1HB LYS 6 HB3 LYS 6 9.127 -1.527 16.449 32 2HB LYS 6 HB2 LYS 6 8.018 -2.171 15.247 33 1HG LYS 6 HG2 LYS 6 8.063 -4.340 16.290 34 2HG LYS 6 HG3 LYS 6 9.299 -3.799 17.429 35 1HD LYS 6 HD2 LYS 6 7.733 -2.179 18.375 36 2HD LYS 6 HD3 LYS 6 6.498 -2.704 17.232 37 1HE LYS 6 HE2 LYS 6 6.048 -3.782 19.314 38 2HE LYS 6 HE3 LYS 6 6.699 -4.994 18.219 39 1HZ LYS 6 HZ1 LYS 6 7.615 -5.012 20.539 40 2HZ LYS 6 HZ2 LYS 6 8.380 -3.548 20.179 41 3HZ LYS 6 HZ3 LYS 6 8.778 -4.937 19.295 42 H LEU 7 HN LEU 7 11.880 -1.002 14.825 43 HA LEU 7 HA LEU 7 10.603 0.524 12.717 44 1HB LEU 7 HB2 LEU 7 13.041 0.954 14.414 45 2HB LEU 7 HB3 LEU 7 12.765 1.931 12.989 46 HG LEU 7 HG LEU 7 12.013 3.169 14.874 47 1HD1 LEU 7 HD21 LEU 7 10.552 3.681 13.174 48 2HD1 LEU 7 HD22 LEU 7 9.889 2.048 13.100 49 3HD1 LEU 7 HD23 LEU 7 9.434 3.118 14.411 50 1HD2 LEU 7 HD11 LEU 7 11.091 2.303 16.701 51 2HD2 LEU 7 HD12 LEU 7 9.850 1.456 15.768 52 3HD2 LEU 7 HD13 LEU 7 11.437 0.711 16.001 53 H GLY 8 HN GLY 8 12.075 1.370 10.942 54 1HA GLY 8 HA2 GLY 8 14.110 0.763 9.625 55 2HA GLY 8 HA1 GLY 8 13.594 -0.909 9.812 56 H ARG 9 HN ARG 9 10.789 -0.095 9.641 57 HA ARG 9 HA ARG 9 10.591 0.081 6.723 58 1HB ARG 9 HB2 ARG 9 8.585 -0.803 8.806 59 2HB ARG 9 HB3 ARG 9 8.257 -0.717 7.080 60 1HG ARG 9 HG3 ARG 9 9.916 -2.419 6.664 61 2HG ARG 9 HG2 ARG 9 10.283 -2.512 8.377 62 1HD ARG 9 HD3 ARG 9 7.633 -3.102 7.065 63 2HD ARG 9 HD2 ARG 9 8.733 -4.285 7.773 64 HE ARG 9 HE ARG 9 6.804 -2.655 9.144 65 1HH1 ARG 9 HH12 ARG 9 10.054 -4.276 10.012 66 2HH1 ARG 9 HH11 ARG 9 8.936 -5.273 10.901 67 1HH2 ARG 9 HH22 ARG 9 6.684 -3.625 11.635 68 2HH2 ARG 9 HH21 ARG 9 7.960 -2.502 12.077 69 H ILE 10 HN ILE 10 9.969 1.988 5.889 70 HA ILE 10 HA ILE 10 8.837 3.985 7.656 71 HB ILE 10 HB ILE 10 10.520 4.696 6.000 72 1HG1 ILE 10 HG12 ILE 10 9.335 6.634 5.074 73 2HG1 ILE 10 HG13 ILE 10 7.788 5.844 5.393 74 1HG2 ILE 10 HG21 ILE 10 8.927 4.669 3.626 75 2HG2 ILE 10 HG22 ILE 10 10.538 4.008 3.915 76 3HG2 ILE 10 HG23 ILE 10 9.104 3.035 4.262 77 1HD1 ILE 10 HD11 ILE 10 8.848 5.795 7.863 78 2HD1 ILE 10 HD12 ILE 10 9.591 7.266 7.220 79 3HD1 ILE 10 HD13 ILE 10 7.838 7.101 7.241 80 H ILE 11 HN ILE 11 6.714 4.842 7.315 81 HA ILE 11 HA ILE 11 4.503 4.747 6.934 82 HB ILE 11 HB ILE 11 5.018 2.915 4.575 83 1HG1 ILE 11 HG13 ILE 11 4.974 5.946 4.613 84 2HG1 ILE 11 HG12 ILE 11 6.426 4.966 4.421 85 1HG2 ILE 11 HG21 ILE 11 2.875 3.460 3.872 86 2HG2 ILE 11 HG22 ILE 11 2.660 3.466 5.616 87 3HG2 ILE 11 HG23 ILE 11 2.866 4.990 4.751 88 1HD1 ILE 11 HD11 ILE 11 6.014 4.557 2.258 89 2HD1 ILE 11 HD12 ILE 11 4.270 4.401 2.503 90 3HD1 ILE 11 HD13 ILE 11 5.004 6.011 2.381 91 H ARG 12 HN ARG 12 3.823 1.831 5.580 92 HA ARG 12 HA ARG 12 4.370 0.107 7.823 93 1HB ARG 12 HB2 ARG 12 1.912 1.615 7.758 94 2HB ARG 12 HB3 ARG 12 1.571 -0.100 7.617 95 1HG ARG 12 HG3 ARG 12 1.471 0.169 9.882 96 2HG ARG 12 HG2 ARG 12 3.177 -0.252 9.705 97 1HD ARG 12 HD3 ARG 12 3.844 2.011 9.866 98 2HD ARG 12 HD2 ARG 12 2.189 2.584 9.708 99 HE ARG 12 HE ARG 12 2.365 0.964 11.991 100 1HH1 ARG 12 HH12 ARG 12 3.106 4.514 11.181 101 2HH1 ARG 12 HH11 ARG 12 4.481 4.142 12.184 102 1HH2 ARG 12 HH21 ARG 12 3.292 2.190 14.215 103 2HH2 ARG 12 HH22 ARG 12 2.123 3.471 14.084 104 H HIS 13 HN HIS 13 2.545 -1.809 7.529 105 HA HIS 13 HA HIS 13 2.190 -2.446 4.718 106 1HB HIS 13 HB2 HIS 13 3.162 -4.697 4.943 107 2HB HIS 13 HB3 HIS 13 4.367 -3.445 5.166 108 HD1 HIS 13 HD1 HIS 13 5.611 -5.672 6.172 109 HD2 HIS 13 HD2 HIS 13 2.622 -3.946 8.488 110 HE1 HIS 13 HE1 HIS 13 5.934 -6.577 8.483 111 HE2 HIS 13 HE2 HIS 13 3.973 -5.718 9.800 112 H ASP 14 HN ASP 14 0.219 -3.429 4.413 113 HA ASP 14 HA ASP 14 -1.046 -4.838 6.621 114 1HB ASP 14 HB3 ASP 14 -1.487 -2.471 7.127 115 2HB ASP 14 HB2 ASP 14 -2.264 -2.272 5.561 116 H ALA 15 HN ALA 15 -2.637 -6.193 6.050 117 HA ALA 15 HA ALA 15 -3.108 -6.540 3.167 118 1HB ALA 15 HB1 ALA 15 -2.558 -8.348 5.279 119 2HB ALA 15 HB2 ALA 15 -4.162 -8.707 4.653 120 3HB ALA 15 HB3 ALA 15 -2.773 -8.687 3.569 121 H PHE 16 HN PHE 16 -4.875 -5.535 2.496 122 HA PHE 16 HA PHE 16 -7.228 -5.412 4.237 123 1HB PHE 16 HB2 PHE 16 -6.371 -3.846 1.813 124 2HB PHE 16 HB3 PHE 16 -8.033 -3.811 2.381 125 HD1 PHE 16 HD1 PHE 16 -8.424 -3.093 4.789 126 HD2 PHE 16 HD2 PHE 16 -4.821 -2.384 2.659 127 HE1 PHE 16 HE1 PHE 16 -7.875 -1.272 6.343 128 HE2 PHE 16 HE2 PHE 16 -4.268 -0.539 4.189 129 HZ PHE 16 HZ PHE 16 -5.796 0.015 6.041 130 H GLN 17 HN GLN 17 -9.246 -6.050 3.581 131 HA GLN 17 HA GLN 17 -9.316 -7.820 1.229 132 1HB GLN 17 HB3 GLN 17 -9.958 -8.839 3.431 133 2HB GLN 17 HB2 GLN 17 -11.279 -7.685 3.545 134 1HG GLN 17 HG3 GLN 17 -12.224 -8.594 1.467 135 2HG GLN 17 HG2 GLN 17 -10.924 -9.780 1.413 136 1HE2 GLN 17 HE21 GLN 17 -11.483 -11.682 2.101 137 2HE2 GLN 17 HE22 GLN 17 -12.840 -12.028 3.109 138 H VAL 18 HN VAL 18 -9.606 -6.245 -0.281 139 HA VAL 18 HA VAL 18 -12.147 -4.783 -0.156 140 HB VAL 18 HB VAL 18 -10.805 -2.962 -1.421 141 1HG1 VAL 18 HG21 VAL 18 -11.726 -3.358 1.150 142 2HG1 VAL 18 HG22 VAL 18 -10.070 -2.774 1.360 143 3HG1 VAL 18 HG23 VAL 18 -11.230 -1.829 0.424 144 1HG2 VAL 18 HG11 VAL 18 -8.553 -2.933 -1.245 145 2HG2 VAL 18 HG12 VAL 18 -8.567 -3.682 0.354 146 3HG2 VAL 18 HG13 VAL 18 -8.749 -4.691 -1.083 147 H TRP 19 HN TRP 19 -11.832 -3.297 -2.346 148 HA TRP 19 HA TRP 19 -12.182 -5.224 -4.521 149 1HB TRP 19 HB2 TRP 19 -13.253 -2.415 -4.324 150 2HB TRP 19 HB3 TRP 19 -13.845 -3.736 -5.330 151 HD1 TRP 19 HD1 TRP 19 -15.355 -5.620 -4.116 152 HE1 TRP 19 HE1 TRP 19 -16.784 -5.551 -1.986 153 HE3 TRP 19 HE3 TRP 19 -13.322 -1.467 -1.885 154 HZ2 TRP 19 HZ2 TRP 19 -17.018 -3.973 0.328 155 HZ3 TRP 19 HZ3 TRP 19 -14.214 -0.764 0.284 156 HH2 TRP 19 HH2 TRP 19 -16.020 -1.992 1.372 157 H GLU 20 HN GLU 20 -10.114 -5.228 -5.447 158 HA GLU 20 HA GLU 20 -9.008 -2.622 -6.246 159 1HB GLU 20 HB2 GLU 20 -7.582 -4.255 -4.905 160 2HB GLU 20 HB3 GLU 20 -7.589 -5.268 -6.338 161 1HG GLU 20 HG3 GLU 20 -6.736 -2.454 -6.663 162 2HG GLU 20 HG2 GLU 20 -5.642 -3.552 -5.834 163 H GLY 21 HN GLY 21 -10.361 -2.345 -7.944 164 1HA GLY 21 HA1 GLY 21 -10.907 -2.296 -10.182 165 2HA GLY 21 HA2 GLY 21 -9.510 -3.312 -10.472 166 H ASP 22 HN ASP 22 -9.977 -5.639 -9.436 167 HA ASP 22 HA ASP 22 -12.130 -6.702 -11.017 168 1HB ASP 22 HB3 ASP 22 -9.835 -7.801 -10.567 169 2HB ASP 22 HB2 ASP 22 -10.488 -8.231 -8.986 170 H GLU 23 HN GLU 23 -13.499 -5.213 -9.802 171 HA GLU 23 HA GLU 23 -14.580 -4.649 -7.688 172 1HB GLU 23 HB3 GLU 23 -16.190 -6.426 -9.490 173 2HB GLU 23 HB2 GLU 23 -16.886 -5.479 -8.192 174 1HG GLU 23 HG2 GLU 23 -15.798 -3.468 -9.305 175 2HG GLU 23 HG3 GLU 23 -15.558 -4.524 -10.695 176 HA PRO 24 HA PRO 24 -16.326 -8.845 -5.632 177 1HB PRO 24 HB3 PRO 24 -14.220 -10.523 -6.964 178 2HB PRO 24 HB2 PRO 24 -15.809 -11.010 -6.330 179 1HG PRO 24 HG3 PRO 24 -15.451 -10.616 -8.942 180 2HG PRO 24 HG2 PRO 24 -16.943 -10.115 -8.151 181 1HD PRO 24 HD2 PRO 24 -14.713 -8.468 -9.184 182 2HD PRO 24 HD3 PRO 24 -16.422 -8.045 -8.956 183 HA PRO 25 HA PRO 25 -13.119 -7.408 -2.829 184 1HB PRO 25 HB2 PRO 25 -14.150 -8.993 -0.749 185 2HB PRO 25 HB3 PRO 25 -14.461 -7.282 -1.038 186 1HG PRO 25 HG3 PRO 25 -16.105 -9.678 -1.708 187 2HG PRO 25 HG2 PRO 25 -16.612 -8.006 -1.343 188 1HD PRO 25 HD2 PRO 25 -16.665 -9.018 -3.843 189 2HD PRO 25 HD3 PRO 25 -16.316 -7.301 -3.523 190 H LYS 26 HN LYS 26 -11.161 -8.139 -2.596 191 HA LYS 26 HA LYS 26 -10.699 -11.019 -2.172 192 1HB LYS 26 HB3 LYS 26 -9.163 -9.258 -4.111 193 2HB LYS 26 HB2 LYS 26 -8.771 -10.923 -3.716 194 1HG LYS 26 HG3 LYS 26 -10.781 -11.711 -4.733 195 2HG LYS 26 HG2 LYS 26 -11.344 -10.065 -4.979 196 1HD LYS 26 HD2 LYS 26 -9.420 -9.664 -6.486 197 2HD LYS 26 HD3 LYS 26 -8.921 -11.337 -6.243 198 1HE LYS 26 HE3 LYS 26 -10.156 -11.010 -8.336 199 2HE LYS 26 HE2 LYS 26 -10.959 -12.128 -7.235 200 1HZ LYS 26 HZ1 LYS 26 -12.748 -10.859 -7.194 201 2HZ LYS 26 HZ2 LYS 26 -12.063 -9.923 -8.430 202 3HZ LYS 26 HZ3 LYS 26 -11.840 -9.469 -6.812 203 H LEU 27 HN LEU 27 -8.638 -11.482 -1.159 204 HA LEU 27 HA LEU 27 -7.867 -9.421 0.710 205 1HB LEU 27 HB3 LEU 27 -8.024 -11.645 1.584 206 2HB LEU 27 HB2 LEU 27 -7.050 -12.289 0.280 207 HG LEU 27 HG LEU 27 -5.091 -11.151 1.158 208 1HD1 LEU 27 HD21 LEU 27 -5.370 -9.393 2.436 209 2HD1 LEU 27 HD22 LEU 27 -7.063 -9.785 2.717 210 3HD1 LEU 27 HD23 LEU 27 -5.806 -10.489 3.744 211 1HD2 LEU 27 HD11 LEU 27 -4.617 -12.794 2.601 212 2HD2 LEU 27 HD12 LEU 27 -6.084 -12.553 3.542 213 3HD2 LEU 27 HD13 LEU 27 -6.142 -13.442 2.016 214 H ARG 28 HN ARG 28 -6.382 -7.935 0.159 215 HA ARG 28 HA ARG 28 -4.053 -8.827 -1.356 216 1HB ARG 28 HB3 ARG 28 -5.799 -6.476 -2.144 217 2HB ARG 28 HB2 ARG 28 -4.202 -6.789 -2.824 218 1HG ARG 28 HG3 ARG 28 -4.980 -8.985 -3.581 219 2HG ARG 28 HG2 ARG 28 -6.581 -8.621 -2.943 220 1HD ARG 28 HD2 ARG 28 -6.993 -6.992 -4.569 221 2HD ARG 28 HD3 ARG 28 -5.282 -6.875 -5.006 222 HE ARG 28 HE ARG 28 -6.103 -9.497 -5.483 223 1HH1 ARG 28 HH12 ARG 28 -6.589 -6.339 -7.520 224 2HH1 ARG 28 HH11 ARG 28 -8.121 -7.154 -7.555 225 1HH2 ARG 28 HH21 ARG 28 -5.631 -9.452 -8.385 226 2HH2 ARG 28 HH22 ARG 28 -7.360 -9.643 -8.292 227 H TYR 29 HN TYR 29 -2.400 -8.435 -0.156 228 HA TYR 29 HA TYR 29 -2.489 -6.438 1.912 229 1HB TYR 29 HB2 TYR 29 0.065 -7.455 1.988 230 2HB TYR 29 HB3 TYR 29 -1.312 -8.065 2.894 231 HD1 TYR 29 HD1 TYR 29 0.366 -8.487 -0.424 232 HD2 TYR 29 HD2 TYR 29 -1.905 -10.301 2.692 233 HE1 TYR 29 HE1 TYR 29 0.603 -10.664 -1.526 234 HE2 TYR 29 HE2 TYR 29 -1.684 -12.487 1.572 235 HH TYR 29 HH TYR 29 -0.703 -12.863 -1.576 236 H VAL 30 HN VAL 30 -1.801 -4.490 1.843 237 HA VAL 30 HA VAL 30 -0.189 -3.560 -0.418 238 HB VAL 30 HB VAL 30 -1.727 -1.962 1.642 239 1HG1 VAL 30 HG21 VAL 30 -0.485 -0.313 0.813 240 2HG1 VAL 30 HG22 VAL 30 0.003 -1.255 -0.604 241 3HG1 VAL 30 HG23 VAL 30 -1.560 -0.428 -0.586 242 1HG2 VAL 30 HG11 VAL 30 -2.793 -2.014 -1.068 243 2HG2 VAL 30 HG12 VAL 30 -2.814 -3.592 -0.288 244 3HG2 VAL 30 HG13 VAL 30 -3.614 -2.230 0.475 245 H PHE 31 HN PHE 31 1.837 -2.882 -0.148 246 HA PHE 31 HA PHE 31 2.815 -2.365 2.583 247 1HB PHE 31 HB2 PHE 31 4.480 -3.600 0.378 248 2HB PHE 31 HB3 PHE 31 4.916 -3.422 2.071 249 HD1 PHE 31 HD1 PHE 31 2.770 -5.291 -0.296 250 HD2 PHE 31 HD2 PHE 31 4.300 -5.034 3.676 251 HE1 PHE 31 HE1 PHE 31 1.972 -7.571 0.165 252 HE2 PHE 31 HE2 PHE 31 3.507 -7.318 4.128 253 HZ PHE 31 HZ PHE 31 2.346 -8.594 2.372 254 H LEU 32 HN LEU 32 3.038 -0.150 2.587 255 HA LEU 32 HA LEU 32 4.122 1.073 0.152 256 1HB LEU 32 HB2 LEU 32 3.145 2.671 2.487 257 2HB LEU 32 HB3 LEU 32 3.320 3.131 0.803 258 HG LEU 32 HG LEU 32 1.142 1.332 1.902 259 1HD1 LEU 32 HD11 LEU 32 1.424 4.206 1.513 260 2HD1 LEU 32 HD12 LEU 32 0.041 3.531 0.663 261 3HD1 LEU 32 HD13 LEU 32 0.200 3.294 2.397 262 1HD2 LEU 32 HD21 LEU 32 2.212 1.640 -0.747 263 2HD2 LEU 32 HD22 LEU 32 0.912 0.600 -0.175 264 3HD2 LEU 32 HD23 LEU 32 0.554 2.247 -0.677 265 H PHE 33 HN PHE 33 6.038 2.019 0.071 266 HA PHE 33 HA PHE 33 7.480 2.562 2.559 267 1HB PHE 33 HB2 PHE 33 8.668 1.057 0.188 268 2HB PHE 33 HB3 PHE 33 9.595 1.677 1.555 269 HD1 PHE 33 HD1 PHE 33 7.229 -0.871 0.437 270 HD2 PHE 33 HD2 PHE 33 9.533 0.584 3.701 271 HE1 PHE 33 HE1 PHE 33 6.838 -2.980 1.637 272 HE2 PHE 33 HE2 PHE 33 9.112 -1.503 4.930 273 HZ PHE 33 HZ PHE 33 7.773 -3.298 3.895 274 H ARG 34 HN ARG 34 9.460 4.031 1.979 275 HA ARG 34 HA ARG 34 8.424 6.133 0.316 276 1HB ARG 34 HB3 ARG 34 9.955 6.209 2.512 277 2HB ARG 34 HB2 ARG 34 11.223 6.295 1.294 278 1HG ARG 34 HG3 ARG 34 8.864 8.120 1.122 279 2HG ARG 34 HG2 ARG 34 10.189 8.478 2.229 280 1HD ARG 34 HD3 ARG 34 11.056 7.768 -0.466 281 2HD ARG 34 HD2 ARG 34 10.082 9.233 -0.394 282 HE ARG 34 HE ARG 34 11.982 9.428 1.619 283 1HH1 ARG 34 HH12 ARG 34 12.823 8.836 -1.914 284 2HH1 ARG 34 HH11 ARG 34 12.424 10.530 -2.047 285 1HH2 ARG 34 HH21 ARG 34 14.573 10.057 0.778 286 2HH2 ARG 34 HH22 ARG 34 13.894 11.536 0.156 287 H ASN 35 HN ASN 35 8.354 4.698 -1.547 288 HA ASN 35 HA ASN 35 10.439 5.315 -3.394 289 1HB ASN 35 HB2 ASN 35 11.455 3.361 -2.219 290 2HB ASN 35 HB3 ASN 35 10.063 2.394 -2.682 291 1HD2 ASN 35 HD21 ASN 35 11.038 4.667 -5.035 292 2HD2 ASN 35 HD22 ASN 35 11.685 3.502 -6.137 293 H LYS 36 HN LYS 36 7.722 3.202 -2.615 294 HA LYS 36 HA LYS 36 6.021 4.218 -4.596 295 1HB LYS 36 HB2 LYS 36 5.885 2.387 -6.161 296 2HB LYS 36 HB3 LYS 36 7.548 2.955 -6.114 297 1HG LYS 36 HG2 LYS 36 8.291 1.062 -4.954 298 2HG LYS 36 HG3 LYS 36 6.660 0.643 -4.420 299 1HD LYS 36 HD3 LYS 36 6.043 0.013 -6.676 300 2HD LYS 36 HD2 LYS 36 7.617 0.529 -7.278 301 1HE LYS 36 HE2 LYS 36 8.703 -1.180 -5.926 302 2HE LYS 36 HE3 LYS 36 7.145 -1.664 -5.258 303 1HZ LYS 36 HZ1 LYS 36 7.082 -1.728 -8.100 304 2HZ LYS 36 HZ2 LYS 36 6.791 -2.976 -6.978 305 3HZ LYS 36 HZ3 LYS 36 8.370 -2.649 -7.534 306 H ILE 37 HN ILE 37 4.300 2.243 -5.037 307 HA ILE 37 HA ILE 37 3.519 1.390 -2.318 308 HB ILE 37 HB ILE 37 1.910 1.652 -4.877 309 1HG1 ILE 37 HG13 ILE 37 1.730 3.062 -2.209 310 2HG1 ILE 37 HG12 ILE 37 2.363 3.751 -3.703 311 1HG2 ILE 37 HG21 ILE 37 1.212 -0.349 -3.643 312 2HG2 ILE 37 HG22 ILE 37 0.988 0.628 -2.185 313 3HG2 ILE 37 HG23 ILE 37 -0.037 0.899 -3.606 314 1HD1 ILE 37 HD11 ILE 37 0.275 4.603 -3.852 315 2HD1 ILE 37 HD12 ILE 37 -0.086 3.021 -4.542 316 3HD1 ILE 37 HD13 ILE 37 -0.429 3.341 -2.843 317 H MET 38 HN MET 38 4.699 -0.481 -2.085 318 HA MET 38 HA MET 38 4.725 -2.421 -4.259 319 1HB MET 38 HB2 MET 38 6.817 -1.869 -3.042 320 2HB MET 38 HB3 MET 38 6.102 -2.516 -1.576 321 1HG MET 38 HG3 MET 38 5.911 -4.714 -2.643 322 2HG MET 38 HG2 MET 38 6.708 -4.070 -4.072 323 1HE MET 38 HE1 MET 38 9.438 -6.328 -2.873 324 2HE MET 38 HE2 MET 38 8.035 -6.706 -1.879 325 3HE MET 38 HE3 MET 38 7.830 -6.310 -3.585 326 H PHE 39 HN PHE 39 2.398 -2.648 -3.933 327 HA PHE 39 HA PHE 39 1.739 -4.449 -1.728 328 1HB PHE 39 HB2 PHE 39 -0.527 -3.860 -1.974 329 2HB PHE 39 HB3 PHE 39 0.341 -2.351 -2.161 330 HD1 PHE 39 HD1 PHE 39 0.913 -1.748 -4.714 331 HD2 PHE 39 HD2 PHE 39 -2.223 -4.311 -3.400 332 HE1 PHE 39 HE1 PHE 39 -0.303 -1.356 -6.824 333 HE2 PHE 39 HE2 PHE 39 -3.446 -3.894 -5.475 334 HZ PHE 39 HZ PHE 39 -2.494 -2.426 -7.199 335 H THR 40 HN THR 40 0.641 -6.468 -2.232 336 HA THR 40 HA THR 40 0.956 -7.263 -5.047 337 HB THR 40 HB THR 40 1.604 -9.568 -4.099 338 HG1 THR 40 HG1 THR 40 1.059 -8.961 -1.913 339 1HG2 THR 40 HG21 THR 40 3.710 -7.543 -3.457 340 2HG2 THR 40 HG22 THR 40 3.195 -7.809 -5.131 341 3HG2 THR 40 HG23 THR 40 3.869 -9.150 -4.188 342 H GLU 41 HN GLU 41 -0.771 -8.162 -5.904 343 HA GLU 41 HA GLU 41 -3.157 -8.416 -4.404 344 1HB GLU 41 HB2 GLU 41 -4.033 -9.407 -6.574 345 2HB GLU 41 HB3 GLU 41 -3.428 -7.762 -6.639 346 1HG GLU 41 HG3 GLU 41 -1.411 -8.461 -7.697 347 2HG GLU 41 HG2 GLU 41 -1.801 -10.164 -7.426 348 H GLN 42 HN GLN 42 -4.444 -10.239 -4.094 349 HA GLN 42 HA GLN 42 -3.350 -12.900 -4.436 350 1HB GLN 42 HB2 GLN 42 -2.535 -12.160 -2.198 351 2HB GLN 42 HB3 GLN 42 -4.196 -11.835 -1.722 352 1HG GLN 42 HG3 GLN 42 -3.428 -13.943 -0.814 353 2HG GLN 42 HG2 GLN 42 -4.740 -14.190 -1.976 354 1HE2 GLN 42 HE21 GLN 42 -4.347 -16.135 -2.806 355 2HE2 GLN 42 HE22 GLN 42 -2.818 -16.708 -3.352 356 H ASP 43 HN ASP 43 -5.127 -14.505 -4.226 357 HA ASP 43 HA ASP 43 -7.764 -13.226 -4.260 358 1HB ASP 43 HB3 ASP 43 -6.698 -13.965 -6.557 359 2HB ASP 43 HB2 ASP 43 -7.264 -15.558 -6.054 360 H ALA 44 HN ALA 44 -8.240 -13.835 -2.224 361 HA ALA 44 HA ALA 44 -8.795 -16.687 -1.827 362 1HB ALA 44 HB1 ALA 44 -6.716 -15.458 -0.559 363 2HB ALA 44 HB2 ALA 44 -8.032 -15.219 0.599 364 3HB ALA 44 HB3 ALA 44 -7.607 -16.851 0.083 365 H SER 45 HN SER 45 -10.466 -17.031 -0.135 366 HA SER 45 HA SER 45 -12.466 -16.643 0.848 367 1HB SER 45 HB3 SER 45 -11.805 -13.702 0.610 368 2HB SER 45 HB2 SER 45 -13.076 -14.412 1.611 369 HG SER 45 HG SER 45 -10.310 -15.033 1.873 370 H THR 46 HN THR 46 -11.871 -16.594 -2.079 371 HA THR 46 HA THR 46 -14.482 -15.613 -3.004 372 HB THR 46 HB THR 46 -13.354 -15.128 -5.186 373 HG1 THR 46 HG1 THR 46 -10.924 -14.917 -4.870 374 1HG2 THR 46 HG21 THR 46 -11.796 -13.624 -3.141 375 2HG2 THR 46 HG22 THR 46 -13.541 -13.400 -3.279 376 3HG2 THR 46 HG23 THR 46 -12.497 -13.067 -4.666 377 H SER 47 HN SER 47 -13.953 -16.779 -5.662 378 HA SER 47 HA SER 47 -14.260 -19.597 -4.908 379 1HB SER 47 HB2 SER 47 -15.117 -18.289 -7.494 380 2HB SER 47 HB3 SER 47 -15.514 -19.915 -6.942 381 HG SER 47 HG SER 47 -17.053 -17.960 -6.605 382 HA PRO 48 HA PRO 48 -11.006 -19.862 -8.313 383 1HB PRO 48 HB3 PRO 48 -10.396 -17.800 -9.911 384 2HB PRO 48 HB2 PRO 48 -11.835 -18.780 -10.183 385 1HG PRO 48 HG3 PRO 48 -11.587 -16.040 -9.092 386 2HG PRO 48 HG2 PRO 48 -12.924 -16.789 -9.991 387 1HD PRO 48 HD3 PRO 48 -12.731 -16.430 -7.179 388 2HD PRO 48 HD2 PRO 48 -13.989 -17.309 -8.063 389 HA PRO 49 HA PRO 49 -7.975 -17.903 -5.618 390 1HB PRO 49 HB2 PRO 49 -6.227 -19.906 -5.497 391 2HB PRO 49 HB3 PRO 49 -7.828 -20.046 -4.734 392 1HG PRO 49 HG2 PRO 49 -6.880 -21.153 -7.356 393 2HG PRO 49 HG3 PRO 49 -7.862 -21.939 -6.104 394 1HD PRO 49 HD2 PRO 49 -8.875 -20.749 -8.388 395 2HD PRO 49 HD3 PRO 49 -9.792 -21.012 -6.895 396 H SER 50 HN SER 50 -5.384 -18.034 -5.756 397 HA SER 50 HA SER 50 -3.467 -17.388 -6.769 398 1HB SER 50 HB2 SER 50 -4.002 -19.292 -8.349 399 2HB SER 50 HB3 SER 50 -4.704 -18.092 -9.431 400 HG SER 50 HG SER 50 -2.530 -18.488 -9.968 401 H TYR 51 HN TYR 51 -2.578 -15.525 -7.571 402 HA TYR 51 HA TYR 51 -4.500 -13.410 -8.173 403 1HB TYR 51 HB2 TYR 51 -2.570 -11.882 -7.691 404 2HB TYR 51 HB3 TYR 51 -3.069 -12.888 -6.337 405 HD1 TYR 51 HD1 TYR 51 -0.391 -12.116 -8.677 406 HD2 TYR 51 HD2 TYR 51 -1.651 -14.746 -5.583 407 HE1 TYR 51 HE1 TYR 51 1.928 -12.891 -8.404 408 HE2 TYR 51 HE2 TYR 51 0.659 -15.528 -5.295 409 HH TYR 51 HH TYR 51 2.919 -14.828 -5.729 410 H THR 52 HN THR 52 -3.619 -11.651 -9.673 411 HA THR 52 HA THR 52 -3.235 -12.900 -12.214 412 HB THR 52 HB THR 52 -2.939 -9.953 -11.917 413 HG1 THR 52 HG1 THR 52 -4.574 -10.108 -10.507 414 1HG2 THR 52 HG21 THR 52 -4.455 -9.905 -13.807 415 2HG2 THR 52 HG22 THR 52 -4.670 -11.649 -13.709 416 3HG2 THR 52 HG23 THR 52 -3.092 -10.974 -14.139 417 H HIS 53 HN HIS 53 -1.308 -10.353 -10.548 418 HA HIS 53 HA HIS 53 1.164 -11.631 -11.369 419 1HB HIS 53 HB2 HIS 53 1.931 -9.938 -12.858 420 2HB HIS 53 HB3 HIS 53 0.304 -10.348 -13.388 421 HD1 HIS 53 HD1 HIS 53 -1.375 -8.541 -11.531 422 HD2 HIS 53 HD2 HIS 53 2.095 -7.315 -13.491 423 HE1 HIS 53 HE1 HIS 53 -1.582 -6.049 -11.796 424 HE2 HIS 53 HE2 HIS 53 0.613 -5.312 -12.790 425 H TYR 54 HN TYR 54 2.897 -9.464 -11.085 426 HA TYR 54 HA TYR 54 2.654 -8.962 -8.227 427 1HB TYR 54 HB2 TYR 54 4.865 -8.422 -10.216 428 2HB TYR 54 HB3 TYR 54 4.931 -7.879 -8.537 429 HD1 TYR 54 HD1 TYR 54 4.153 -9.954 -6.873 430 HD2 TYR 54 HD2 TYR 54 6.143 -10.285 -10.624 431 HE1 TYR 54 HE1 TYR 54 5.075 -12.123 -6.188 432 HE2 TYR 54 HE2 TYR 54 7.092 -12.447 -9.932 433 HH TYR 54 HH TYR 54 7.617 -13.584 -7.640 434 H SER 55 HN SER 55 1.440 -7.321 -7.631 435 HA SER 55 HA SER 55 0.747 -5.147 -9.287 436 1HB SER 55 HB2 SER 55 0.537 -5.131 -6.289 437 2HB SER 55 HB3 SER 55 -0.571 -4.440 -7.484 438 HG SER 55 HG SER 55 -1.510 -6.314 -7.718 439 H SER 56 HN SER 56 1.391 -2.988 -9.212 440 HA SER 56 HA SER 56 3.392 -2.061 -7.380 441 1HB SER 56 HB3 SER 56 4.785 -3.334 -8.999 442 2HB SER 56 HB2 SER 56 4.139 -2.345 -10.303 443 HG SER 56 HG SER 56 5.587 -0.927 -9.845 444 H ILE 57 HN ILE 57 3.222 0.109 -7.152 445 HA ILE 57 HA ILE 57 1.950 1.670 -9.291 446 HB ILE 57 HB ILE 57 1.109 1.595 -6.402 447 1HG1 ILE 57 HG12 ILE 57 -0.333 1.297 -9.033 448 2HG1 ILE 57 HG13 ILE 57 -0.068 0.053 -7.821 449 1HG2 ILE 57 HG21 ILE 57 0.405 3.734 -8.404 450 2HG2 ILE 57 HG22 ILE 57 -0.257 3.575 -6.787 451 3HG2 ILE 57 HG23 ILE 57 1.445 3.952 -7.001 452 1HD1 ILE 57 HD11 ILE 57 -1.859 2.436 -7.641 453 2HD1 ILE 57 HD12 ILE 57 -2.312 0.730 -7.683 454 3HD1 ILE 57 HD13 ILE 57 -1.483 1.382 -6.276 455 H ARG 58 HN ARG 58 2.641 3.789 -9.466 456 HA ARG 58 HA ARG 58 5.177 4.438 -8.159 457 1HB ARG 58 HB3 ARG 58 4.318 4.734 -10.731 458 2HB ARG 58 HB2 ARG 58 3.860 6.301 -10.082 459 1HG ARG 58 HG3 ARG 58 6.635 5.137 -10.163 460 2HG ARG 58 HG2 ARG 58 5.972 6.421 -11.178 461 1HD ARG 58 HD2 ARG 58 5.577 7.748 -9.084 462 2HD ARG 58 HD3 ARG 58 6.567 6.545 -8.238 463 HE ARG 58 HE ARG 58 8.069 7.376 -10.409 464 1HH1 ARG 58 HH11 ARG 58 7.540 8.555 -7.062 465 2HH1 ARG 58 HH12 ARG 58 7.298 10.161 -7.707 466 1HH2 ARG 58 HH22 ARG 58 9.123 9.928 -10.332 467 2HH2 ARG 58 HH21 ARG 58 9.993 9.466 -8.898 468 H LEU 59 HN LEU 59 5.395 6.650 -7.158 469 HA LEU 59 HA LEU 59 2.823 7.519 -6.055 470 1HB LEU 59 HB2 LEU 59 5.606 7.914 -4.977 471 2HB LEU 59 HB3 LEU 59 4.141 8.518 -4.229 472 HG LEU 59 HG LEU 59 4.807 5.606 -4.624 473 1HD1 LEU 59 HD21 LEU 59 4.762 6.201 -1.911 474 2HD1 LEU 59 HD22 LEU 59 6.184 5.864 -2.895 475 3HD1 LEU 59 HD23 LEU 59 5.656 7.523 -2.638 476 1HD2 LEU 59 HD11 LEU 59 2.354 6.532 -4.390 477 2HD2 LEU 59 HD12 LEU 59 2.863 5.076 -3.553 478 3HD2 LEU 59 HD13 LEU 59 2.786 6.607 -2.691 479 H ASP 60 HN ASP 60 3.528 8.200 -8.626 480 HA ASP 60 HA ASP 60 4.636 10.900 -8.449 481 1HB ASP 60 HB3 ASP 60 5.639 9.245 -10.027 482 2HB ASP 60 HB2 ASP 60 4.118 9.191 -10.894 483 H LYS 61 HN LYS 61 2.299 9.616 -10.825 484 HA LYS 61 HA LYS 61 0.544 11.852 -10.062 485 1HB LYS 61 HB2 LYS 61 0.528 10.280 -12.643 486 2HB LYS 61 HB3 LYS 61 -0.458 11.689 -12.270 487 1HG LYS 61 HG3 LYS 61 1.446 13.097 -12.229 488 2HG LYS 61 HG2 LYS 61 2.543 11.725 -12.349 489 1HD LYS 61 HD2 LYS 61 1.493 11.200 -14.561 490 2HD LYS 61 HD3 LYS 61 0.629 12.736 -14.441 491 1HE LYS 61 HE2 LYS 61 2.671 12.946 -15.768 492 2HE LYS 61 HE3 LYS 61 2.722 13.940 -14.316 493 1HZ LYS 61 HZ1 LYS 61 4.807 12.808 -14.660 494 2HZ LYS 61 HZ2 LYS 61 4.030 11.294 -14.679 495 3HZ LYS 61 HZ3 LYS 61 4.068 12.223 -13.254 496 H TYR 62 HN TYR 62 -0.162 10.481 -8.257 497 HA TYR 62 HA TYR 62 -2.436 8.864 -9.126 498 1HB TYR 62 HB3 TYR 62 -1.935 7.025 -7.798 499 2HB TYR 62 HB2 TYR 62 -0.322 7.510 -8.330 500 HD1 TYR 62 HD1 TYR 62 -2.483 6.955 -5.512 501 HD2 TYR 62 HD2 TYR 62 1.123 8.819 -6.766 502 HE1 TYR 62 HE1 TYR 62 -1.750 7.098 -3.158 503 HE2 TYR 62 HE2 TYR 62 1.879 8.956 -4.426 504 HH TYR 62 HH TYR 62 1.446 7.799 -2.274 505 H ASN 63 HN ASN 63 -4.271 9.543 -8.179 506 HA ASN 63 HA ASN 63 -4.004 11.611 -6.143 507 1HB ASN 63 HB3 ASN 63 -5.392 12.074 -8.111 508 2HB ASN 63 HB2 ASN 63 -6.434 10.727 -7.688 509 1HD2 ASN 63 HD21 ASN 63 -8.258 11.399 -6.887 510 2HD2 ASN 63 HD22 ASN 63 -8.506 12.807 -5.917 511 H ILE 64 HN ILE 64 -3.707 10.673 -4.278 512 HA ILE 64 HA ILE 64 -5.535 8.561 -3.431 513 HB ILE 64 HB ILE 64 -3.002 8.270 -3.339 514 1HG1 ILE 64 HG13 ILE 64 -4.851 6.984 -2.024 515 2HG1 ILE 64 HG12 ILE 64 -3.152 6.766 -1.615 516 1HG2 ILE 64 HG21 ILE 64 -2.090 10.166 -2.441 517 2HG2 ILE 64 HG22 ILE 64 -3.351 10.329 -1.219 518 3HG2 ILE 64 HG23 ILE 64 -2.104 9.084 -1.049 519 1HD1 ILE 64 HD11 ILE 64 -5.236 7.452 0.094 520 2HD1 ILE 64 HD12 ILE 64 -3.506 7.395 0.447 521 3HD1 ILE 64 HD13 ILE 64 -4.248 8.904 -0.078 522 H ARG 65 HN ARG 65 -6.892 8.763 -1.800 523 HA ARG 65 HA ARG 65 -6.747 11.053 -0.031 524 1HB ARG 65 HB2 ARG 65 -9.281 11.340 -0.309 525 2HB ARG 65 HB3 ARG 65 -8.227 12.043 -1.527 526 1HG ARG 65 HG3 ARG 65 -9.073 10.767 -3.161 527 2HG ARG 65 HG2 ARG 65 -9.083 9.315 -2.145 528 1HD ARG 65 HD3 ARG 65 -11.347 10.135 -2.905 529 2HD ARG 65 HD2 ARG 65 -11.160 9.919 -1.162 530 HE ARG 65 HE ARG 65 -10.534 12.560 -1.694 531 1HH1 ARG 65 HH12 ARG 65 -13.795 11.603 -3.087 532 2HH1 ARG 65 HH11 ARG 65 -14.090 11.049 -1.467 533 1HH2 ARG 65 HH22 ARG 65 -12.827 13.878 -0.437 534 2HH2 ARG 65 HH21 ARG 65 -12.908 14.252 -2.138 535 H GLN 66 HN GLN 66 -7.426 10.632 1.953 536 HA GLN 66 HA GLN 66 -8.556 7.959 2.409 537 1HB GLN 66 HB3 GLN 66 -7.353 8.436 4.764 538 2HB GLN 66 HB2 GLN 66 -6.560 7.626 3.425 539 1HG GLN 66 HG3 GLN 66 -5.054 9.235 4.314 540 2HG GLN 66 HG2 GLN 66 -5.604 9.804 2.741 541 1HE2 GLN 66 HE21 GLN 66 -5.919 11.886 2.695 542 2HE2 GLN 66 HE22 GLN 66 -6.280 12.880 4.060 543 H HIS 67 HN HIS 67 -10.403 7.835 3.507 544 HA HIS 67 HA HIS 67 -11.880 10.166 4.095 545 1HB HIS 67 HB3 HIS 67 -12.282 7.241 4.590 546 2HB HIS 67 HB2 HIS 67 -13.329 8.385 5.415 547 HD1 HIS 67 HD1 HIS 67 -14.721 10.027 3.805 548 HD2 HIS 67 HD2 HIS 67 -12.969 6.731 1.979 549 HE1 HIS 67 HE1 HIS 67 -15.825 9.830 1.555 550 HE2 HIS 67 HE2 HIS 67 -14.698 7.880 0.430 551 H THR 68 HN THR 68 -11.394 11.538 5.609 552 HA THR 68 HA THR 68 -9.864 10.798 7.919 553 HB THR 68 HB THR 68 -11.083 13.497 7.625 554 HG1 THR 68 HG1 THR 68 -9.257 12.313 5.822 555 1HG2 THR 68 HG21 THR 68 -9.263 12.749 9.324 556 2HG2 THR 68 HG22 THR 68 -9.121 14.300 8.500 557 3HG2 THR 68 HG23 THR 68 -8.181 12.923 7.947 558 H THR 69 HN THR 69 -11.156 12.950 9.567 559 HA THR 69 HA THR 69 -12.502 13.034 11.386 560 HB THR 69 HB THR 69 -14.612 11.834 9.590 561 HG1 THR 69 HG1 THR 69 -13.228 14.232 9.414 562 1HG2 THR 69 HG21 THR 69 -15.535 14.108 10.934 563 2HG2 THR 69 HG22 THR 69 -14.693 13.140 12.142 564 3HG2 THR 69 HG23 THR 69 -16.011 12.435 11.209 565 H ASP 70 HN ASP 70 -14.847 10.727 11.123 566 HA ASP 70 HA ASP 70 -13.317 8.872 12.816 567 1HB ASP 70 HB3 ASP 70 -15.537 10.038 13.549 568 2HB ASP 70 HB2 ASP 70 -16.317 8.855 12.501 569 H GLU 71 HN GLU 71 -13.957 9.273 9.728 570 HA GLU 71 HA GLU 71 -14.963 6.672 9.012 571 1HB GLU 71 HB2 GLU 71 -13.597 8.543 7.091 572 2HB GLU 71 HB3 GLU 71 -14.914 7.417 6.782 573 1HG GLU 71 HG2 GLU 71 -16.401 8.850 8.136 574 2HG GLU 71 HG3 GLU 71 -15.080 9.999 8.307 575 H ASP 72 HN ASP 72 -13.552 5.406 7.311 576 HA ASP 72 HA ASP 72 -10.704 5.600 7.745 577 1HB ASP 72 HB2 ASP 72 -11.650 4.454 9.798 578 2HB ASP 72 HB3 ASP 72 -12.096 3.114 8.748 579 H THR 73 HN THR 73 -10.306 5.558 5.618 580 HA THR 73 HA THR 73 -10.415 3.088 4.201 581 HB THR 73 HB THR 73 -12.135 5.348 3.151 582 HG1 THR 73 HG1 THR 73 -12.775 3.407 4.800 583 1HG2 THR 73 HG21 THR 73 -12.433 2.780 1.847 584 2HG2 THR 73 HG22 THR 73 -10.812 3.460 1.659 585 3HG2 THR 73 HG23 THR 73 -12.225 4.390 1.159 586 H ILE 74 HN ILE 74 -8.943 3.067 2.515 587 HA ILE 74 HA ILE 74 -7.566 5.624 1.968 588 HB ILE 74 HB ILE 74 -6.416 2.840 1.678 589 1HG1 ILE 74 HG13 ILE 74 -6.704 3.470 4.048 590 2HG1 ILE 74 HG12 ILE 74 -5.003 3.374 3.598 591 1HG2 ILE 74 HG21 ILE 74 -4.847 5.386 1.613 592 2HG2 ILE 74 HG22 ILE 74 -4.434 3.806 0.960 593 3HG2 ILE 74 HG23 ILE 74 -5.664 4.796 0.160 594 1HD1 ILE 74 HD11 ILE 74 -6.505 5.603 4.649 595 2HD1 ILE 74 HD12 ILE 74 -4.761 5.365 4.524 596 3HD1 ILE 74 HD13 ILE 74 -5.659 6.020 3.157 597 H VAL 75 HN VAL 75 -8.267 6.395 0.082 598 HA VAL 75 HA VAL 75 -8.904 4.503 -2.083 599 HB VAL 75 HB VAL 75 -9.872 7.311 -1.538 600 1HG1 VAL 75 HG21 VAL 75 -11.320 6.257 -3.687 601 2HG1 VAL 75 HG22 VAL 75 -10.189 7.617 -3.702 602 3HG1 VAL 75 HG23 VAL 75 -9.614 5.984 -4.060 603 1HG2 VAL 75 HG11 VAL 75 -11.993 5.538 -2.007 604 2HG2 VAL 75 HG12 VAL 75 -10.891 4.718 -0.919 605 3HG2 VAL 75 HG13 VAL 75 -11.542 6.298 -0.496 606 H LEU 76 HN LEU 76 -7.528 4.473 -3.826 607 HA LEU 76 HA LEU 76 -6.014 6.936 -4.322 608 1HB LEU 76 HB3 LEU 76 -4.128 5.558 -5.168 609 2HB LEU 76 HB2 LEU 76 -4.379 5.500 -3.433 610 HG LEU 76 HG LEU 76 -5.661 3.389 -5.019 611 1HD1 LEU 76 HD21 LEU 76 -2.685 3.629 -4.650 612 2HD1 LEU 76 HD22 LEU 76 -3.498 2.111 -5.037 613 3HD1 LEU 76 HD23 LEU 76 -3.572 3.472 -6.169 614 1HD2 LEU 76 HD11 LEU 76 -4.681 2.034 -3.077 615 2HD2 LEU 76 HD12 LEU 76 -4.280 3.600 -2.368 616 3HD2 LEU 76 HD13 LEU 76 -5.963 3.189 -2.702 617 H GLN 77 HN GLN 77 -6.554 7.797 -6.104 618 HA GLN 77 HA GLN 77 -7.920 6.200 -8.140 619 1HB GLN 77 HB3 GLN 77 -8.969 8.210 -7.061 620 2HB GLN 77 HB2 GLN 77 -7.772 9.196 -7.877 621 1HG GLN 77 HG3 GLN 77 -8.605 8.343 -10.045 622 2HG GLN 77 HG2 GLN 77 -9.875 7.476 -9.176 623 1HE2 GLN 77 HE21 GLN 77 -11.707 8.466 -9.070 624 2HE2 GLN 77 HE22 GLN 77 -11.951 10.121 -9.491 625 HA PRO 78 HA PRO 78 -4.502 6.647 -10.964 626 1HB PRO 78 HB2 PRO 78 -5.654 5.486 -13.081 627 2HB PRO 78 HB3 PRO 78 -5.208 4.551 -11.650 628 1HG PRO 78 HG3 PRO 78 -7.892 5.575 -12.485 629 2HG PRO 78 HG2 PRO 78 -7.471 4.014 -11.785 630 1HD PRO 78 HD2 PRO 78 -8.514 6.123 -10.360 631 2HD PRO 78 HD3 PRO 78 -7.545 4.819 -9.649 632 H GLN 79 HN GLN 79 -4.201 8.823 -11.540 633 HA GLN 79 HA GLN 79 -6.243 10.104 -13.155 634 1HB GLN 79 HB2 GLN 79 -4.843 12.128 -13.006 635 2HB GLN 79 HB3 GLN 79 -5.261 11.472 -11.429 636 1HG GLN 79 HG3 GLN 79 -3.045 10.486 -11.254 637 2HG GLN 79 HG2 GLN 79 -2.626 11.161 -12.838 638 1HE2 GLN 79 HE21 GLN 79 -2.484 11.666 -9.564 639 2HE2 GLN 79 HE22 GLN 79 -2.008 13.325 -9.610 640 H GLU 80 HN GLU 80 -3.928 7.953 -13.840 641 HA GLU 80 HA GLU 80 -3.326 9.146 -16.461 642 1HB GLU 80 HB3 GLU 80 -1.842 6.976 -14.951 643 2HB GLU 80 HB2 GLU 80 -1.426 7.550 -16.557 644 1HG GLU 80 HG3 GLU 80 -0.843 9.725 -15.660 645 2HG GLU 80 HG2 GLU 80 -1.363 9.214 -14.047 646 HA PRO 81 HA PRO 81 -6.011 5.960 -18.068 647 1HB PRO 81 HB3 PRO 81 -5.028 5.917 -20.627 648 2HB PRO 81 HB2 PRO 81 -6.178 7.117 -20.034 649 1HG PRO 81 HG3 PRO 81 -3.215 7.328 -20.382 650 2HG PRO 81 HG2 PRO 81 -4.473 8.530 -20.703 651 1HD PRO 81 HD3 PRO 81 -2.923 8.607 -18.497 652 2HD PRO 81 HD2 PRO 81 -4.611 9.174 -18.499 653 H GLY 82 HN GLY 82 -5.462 4.048 -17.166 654 1HA GLY 82 HA1 GLY 82 -4.429 1.920 -18.308 655 2HA GLY 82 HA2 GLY 82 -2.936 2.759 -17.899 656 H LEU 83 HN LEU 83 -3.394 3.814 -15.498 657 HA LEU 83 HA LEU 83 -3.046 1.672 -13.741 658 1HB LEU 83 HB2 LEU 83 -2.342 4.140 -13.519 659 2HB LEU 83 HB3 LEU 83 -3.946 4.424 -12.908 660 HG LEU 83 HG LEU 83 -3.482 2.775 -11.072 661 1HD1 LEU 83 HD11 LEU 83 -0.695 2.810 -11.016 662 2HD1 LEU 83 HD12 LEU 83 -1.743 1.420 -11.314 663 3HD1 LEU 83 HD13 LEU 83 -1.111 2.370 -12.668 664 1HD2 LEU 83 HD21 LEU 83 -2.153 4.283 -9.760 665 2HD2 LEU 83 HD22 LEU 83 -1.548 5.085 -11.214 666 3HD2 LEU 83 HD23 LEU 83 -3.254 5.217 -10.778 667 HA PRO 84 HA PRO 84 -7.274 0.533 -13.012 668 1HB PRO 84 HB2 PRO 84 -6.927 -1.056 -10.855 669 2HB PRO 84 HB3 PRO 84 -6.422 -1.533 -12.477 670 1HG PRO 84 HG2 PRO 84 -4.788 -0.490 -10.219 671 2HG PRO 84 HG3 PRO 84 -4.399 -1.743 -11.383 672 1HD PRO 84 HD2 PRO 84 -3.475 0.831 -11.535 673 2HD PRO 84 HD3 PRO 84 -3.645 -0.252 -12.930 674 H SER 85 HN SER 85 -8.789 0.251 -11.066 675 HA SER 85 HA SER 85 -8.663 2.705 -9.464 676 1HB SER 85 HB2 SER 85 -10.994 0.813 -9.940 677 2HB SER 85 HB3 SER 85 -11.071 2.361 -9.102 678 HG SER 85 HG SER 85 -10.145 2.152 -11.769 679 H PHE 86 HN PHE 86 -7.956 2.493 -7.413 680 HA PHE 86 HA PHE 86 -8.261 -0.142 -6.145 681 1HB PHE 86 HB2 PHE 86 -6.028 0.260 -7.066 682 2HB PHE 86 HB3 PHE 86 -5.910 1.759 -6.157 683 HD1 PHE 86 HD1 PHE 86 -3.710 0.703 -5.590 684 HD2 PHE 86 HD2 PHE 86 -7.415 -0.836 -4.220 685 HE1 PHE 86 HE1 PHE 86 -2.541 -0.453 -3.773 686 HE2 PHE 86 HE2 PHE 86 -6.253 -1.993 -2.386 687 HZ PHE 86 HZ PHE 86 -3.813 -1.780 -2.168 688 H ARG 87 HN ARG 87 -9.134 -0.150 -4.196 689 HA ARG 87 HA ARG 87 -8.875 2.174 -2.458 690 1HB ARG 87 HB3 ARG 87 -11.221 2.140 -1.786 691 2HB ARG 87 HB2 ARG 87 -11.089 2.487 -3.498 692 1HG ARG 87 HG2 ARG 87 -11.533 -0.321 -2.655 693 2HG ARG 87 HG3 ARG 87 -12.871 0.818 -2.544 694 1HD ARG 87 HD3 ARG 87 -11.256 0.387 -5.048 695 2HD ARG 87 HD2 ARG 87 -12.739 -0.492 -4.682 696 HE ARG 87 HE ARG 87 -13.113 2.340 -4.527 697 1HH1 ARG 87 HH12 ARG 87 -14.288 -0.365 -6.520 698 2HH1 ARG 87 HH11 ARG 87 -13.378 0.238 -7.876 699 1HH2 ARG 87 HH21 ARG 87 -15.074 2.829 -6.241 700 2HH2 ARG 87 HH22 ARG 87 -13.971 3.013 -7.590 701 H ILE 88 HN ILE 88 -8.711 1.633 -0.321 702 HA ILE 88 HA ILE 88 -8.961 -1.219 0.354 703 HB ILE 88 HB ILE 88 -6.939 -0.719 1.968 704 1HG1 ILE 88 HG12 ILE 88 -6.399 1.140 -0.362 705 2HG1 ILE 88 HG13 ILE 88 -6.683 1.631 1.306 706 1HG2 ILE 88 HG21 ILE 88 -7.310 -2.152 -0.320 707 2HG2 ILE 88 HG22 ILE 88 -5.896 -1.178 -0.713 708 3HG2 ILE 88 HG23 ILE 88 -5.880 -2.212 0.711 709 1HD1 ILE 88 HD11 ILE 88 -4.600 -0.073 1.610 710 2HD1 ILE 88 HD12 ILE 88 -4.257 0.616 0.023 711 3HD1 ILE 88 HD13 ILE 88 -4.452 1.670 1.416 712 H LYS 89 HN LYS 89 -10.092 -1.637 2.113 713 HA LYS 89 HA LYS 89 -10.385 0.435 4.163 714 1HB LYS 89 HB3 LYS 89 -12.800 0.341 4.131 715 2HB LYS 89 HB2 LYS 89 -12.245 0.711 2.508 716 1HG LYS 89 HG2 LYS 89 -13.585 -0.912 1.807 717 2HG LYS 89 HG3 LYS 89 -12.426 -2.041 2.510 718 1HD LYS 89 HD2 LYS 89 -14.684 -2.522 3.284 719 2HD LYS 89 HD3 LYS 89 -13.641 -2.029 4.617 720 1HE LYS 89 HE3 LYS 89 -14.569 0.236 4.476 721 2HE LYS 89 HE2 LYS 89 -15.627 -0.277 3.164 722 1HZ LYS 89 HZ1 LYS 89 -17.003 -0.462 4.964 723 2HZ LYS 89 HZ2 LYS 89 -15.777 -0.912 6.031 724 3HZ LYS 89 HZ3 LYS 89 -16.369 -2.043 4.922 725 HA PRO 90 HA PRO 90 -10.196 -3.088 6.836 726 1HB PRO 90 HB3 PRO 90 -11.418 -2.155 9.058 727 2HB PRO 90 HB2 PRO 90 -9.832 -1.577 8.544 728 1HG PRO 90 HG2 PRO 90 -12.522 -0.307 8.214 729 2HG PRO 90 HG3 PRO 90 -10.969 0.442 8.625 730 1HD PRO 90 HD2 PRO 90 -12.056 0.487 6.114 731 2HD PRO 90 HD3 PRO 90 -10.327 0.603 6.436 732 H LYS 91 HN LYS 91 -11.713 -4.186 5.333 733 HA LYS 91 HA LYS 91 -14.424 -4.232 5.366 734 1HB LYS 91 HB2 LYS 91 -12.795 -5.650 3.992 735 2HB LYS 91 HB3 LYS 91 -12.865 -6.805 5.311 736 1HG LYS 91 HG3 LYS 91 -15.288 -5.862 3.799 737 2HG LYS 91 HG2 LYS 91 -14.362 -7.304 3.380 738 1HD LYS 91 HD3 LYS 91 -14.765 -8.079 5.748 739 2HD LYS 91 HD2 LYS 91 -15.944 -6.776 5.878 740 1HE LYS 91 HE2 LYS 91 -17.151 -8.730 5.295 741 2HE LYS 91 HE3 LYS 91 -17.063 -7.745 3.834 742 1HZ LYS 91 HZ1 LYS 91 -16.214 -10.392 4.186 743 2HZ LYS 91 HZ2 LYS 91 -14.822 -9.454 3.908 744 3HZ LYS 91 HZ3 LYS 91 -16.105 -9.452 2.783 745 H ASP 92 HN ASP 92 -12.670 -6.727 7.247 746 HA ASP 92 HA ASP 92 -14.540 -6.276 9.447 747 1HB ASP 92 HB3 ASP 92 -15.492 -7.990 7.866 748 2HB ASP 92 HB2 ASP 92 -14.121 -9.019 8.259 749 H PHE 93 HN PHE 93 -13.408 -6.147 11.247 750 HA PHE 93 HA PHE 93 -11.622 -8.123 12.139 751 1HB PHE 93 HB2 PHE 93 -10.294 -6.543 10.380 752 2HB PHE 93 HB3 PHE 93 -10.053 -5.623 11.862 753 HD1 PHE 93 HD1 PHE 93 -9.919 -9.168 10.699 754 HD2 PHE 93 HD2 PHE 93 -8.181 -6.110 13.111 755 HE1 PHE 93 HE1 PHE 93 -8.137 -10.721 11.372 756 HE2 PHE 93 HE2 PHE 93 -6.391 -7.671 13.773 757 HZ PHE 93 HZ PHE 93 -6.373 -9.973 12.908 758 H GLU 94 HN GLU 94 -10.912 -7.728 14.295 759 HA GLU 94 HA GLU 94 -12.720 -5.989 15.705 760 1HB GLU 94 HB2 GLU 94 -12.007 -8.366 16.375 761 2HB GLU 94 HB3 GLU 94 -10.525 -7.626 16.955 762 1HG GLU 94 HG2 GLU 94 -13.295 -6.916 17.893 763 2HG GLU 94 HG3 GLU 94 -12.180 -8.003 18.724 764 H THR 95 HN THR 95 -9.294 -6.429 16.571 765 HA THR 95 HA THR 95 -9.079 -3.763 17.448 766 HB THR 95 HB THR 95 -6.769 -5.569 16.785 767 HG1 THR 95 HG1 THR 95 -8.743 -5.807 18.707 768 1HG2 THR 95 HG21 THR 95 -5.755 -4.487 18.772 769 2HG2 THR 95 HG22 THR 95 -7.131 -3.395 18.826 770 3HG2 THR 95 HG23 THR 95 -6.052 -3.370 17.435 771 H SER 96 HN SER 96 -8.338 -5.350 14.565 772 HA SER 96 HA SER 96 -8.106 -4.630 12.417 773 1HB SER 96 HB3 SER 96 -8.717 -2.216 13.838 774 2HB SER 96 HB2 SER 96 -7.540 -1.932 12.545 775 HG SER 96 HG SER 96 -10.224 -2.571 12.424 776 H GLU 97 HN GLU 97 -5.927 -5.737 13.481 777 HA GLU 97 HA GLU 97 -3.752 -5.971 13.104 778 1HB GLU 97 HB2 GLU 97 -4.488 -3.796 11.306 779 2HB GLU 97 HB3 GLU 97 -2.775 -3.927 11.657 780 1HG GLU 97 HG3 GLU 97 -3.653 -5.172 9.631 781 2HG GLU 97 HG2 GLU 97 -2.629 -6.077 10.748 782 H TYR 98 HN TYR 98 -4.636 -2.642 14.154 783 HA TYR 98 HA TYR 98 -3.908 -1.512 15.907 784 1HB TYR 98 HB3 TYR 98 -2.707 -2.637 17.412 785 2HB TYR 98 HB2 TYR 98 -2.420 -3.880 16.208 786 HD1 TYR 98 HD1 TYR 98 -1.039 -0.750 17.637 787 HD2 TYR 98 HD2 TYR 98 -0.277 -4.212 15.291 788 HE1 TYR 98 HE1 TYR 98 1.372 -0.260 17.704 789 HE2 TYR 98 HE2 TYR 98 2.136 -3.741 15.369 790 HH TYR 98 HH TYR 98 3.734 -2.422 16.162 791 H VAL 99 HN VAL 99 -1.848 -2.584 13.301 792 HA VAL 99 HA VAL 99 -0.498 -0.017 13.091 793 HB VAL 99 HB VAL 99 0.920 -0.913 11.551 794 1HG1 VAL 99 HG11 VAL 99 1.696 -2.460 12.916 795 2HG1 VAL 99 HG12 VAL 99 0.082 -2.846 13.502 796 3HG1 VAL 99 HG13 VAL 99 0.698 -3.633 12.059 797 1HG2 VAL 99 HG21 VAL 99 0.445 -2.423 9.817 798 2HG2 VAL 99 HG22 VAL 99 -1.022 -3.006 10.614 799 3HG2 VAL 99 HG23 VAL 99 -0.981 -1.371 9.934 800 H ARG 100 HN ARG 100 -3.185 -1.703 11.668 801 HA ARG 100 HA ARG 100 -3.450 -0.366 9.263 802 1HB ARG 100 HB3 ARG 100 -4.737 -2.383 10.157 803 2HB ARG 100 HB2 ARG 100 -5.820 -1.214 10.903 804 1HG ARG 100 HG2 ARG 100 -5.997 -0.206 8.547 805 2HG ARG 100 HG3 ARG 100 -5.327 -1.743 8.010 806 1HD ARG 100 HD2 ARG 100 -7.728 -1.868 7.915 807 2HD ARG 100 HD3 ARG 100 -7.145 -2.902 9.226 808 HE ARG 100 HE ARG 100 -8.506 -1.708 10.583 809 1HH1 ARG 100 HH12 ARG 100 -7.044 0.716 8.417 810 2HH1 ARG 100 HH11 ARG 100 -8.471 1.709 8.480 811 1HH2 ARG 100 HH21 ARG 100 -9.686 0.101 11.349 812 2HH2 ARG 100 HH22 ARG 100 -9.460 1.650 10.584 813 H LYS 101 HN LYS 101 -5.085 0.527 12.353 814 HA LYS 101 HA LYS 101 -6.148 2.902 11.176 815 1HB LYS 101 HB3 LYS 101 -5.964 1.853 13.978 816 2HB LYS 101 HB2 LYS 101 -6.446 3.516 13.684 817 1HG LYS 101 HG2 LYS 101 -8.182 2.558 12.108 818 2HG LYS 101 HG3 LYS 101 -7.842 1.005 12.869 819 1HD LYS 101 HD2 LYS 101 -9.554 1.718 14.217 820 2HD LYS 101 HD3 LYS 101 -8.205 2.478 15.062 821 1HE LYS 101 HE3 LYS 101 -9.987 4.075 14.782 822 2HE LYS 101 HE2 LYS 101 -8.600 4.539 13.795 823 1HZ LYS 101 HZ1 LYS 101 -11.004 3.108 12.806 824 2HZ LYS 101 HZ2 LYS 101 -9.709 3.646 11.854 825 3HZ LYS 101 HZ3 LYS 101 -10.712 4.772 12.619 826 H ALA 102 HN ALA 102 -3.160 2.049 12.518 827 HA ALA 102 HA ALA 102 -2.341 4.686 13.286 828 1HB ALA 102 HB1 ALA 102 -1.180 3.140 14.507 829 2HB ALA 102 HB2 ALA 102 -1.040 2.013 13.160 830 3HB ALA 102 HB3 ALA 102 -0.021 3.447 13.218 831 H TRP 103 HN TRP 103 -1.567 2.489 10.570 832 HA TRP 103 HA TRP 103 0.055 4.470 9.308 833 1HB TRP 103 HB2 TRP 103 0.609 2.915 7.751 834 2HB TRP 103 HB3 TRP 103 0.197 1.904 9.119 835 HD1 TRP 103 HD1 TRP 103 -2.748 1.202 8.809 836 HE1 TRP 103 HE1 TRP 103 -3.631 -0.053 6.733 837 HE3 TRP 103 HE3 TRP 103 1.034 2.248 5.553 838 HZ2 TRP 103 HZ2 TRP 103 -2.784 -0.549 4.066 839 HZ3 TRP 103 HZ3 TRP 103 0.950 1.310 3.289 840 HH2 TRP 103 HH2 TRP 103 -0.916 -0.050 2.553 841 H LEU 104 HN LEU 104 -3.167 4.124 9.664 842 HA LEU 104 HA LEU 104 -4.167 5.129 7.182 843 1HB LEU 104 HB2 LEU 104 -5.212 4.234 9.632 844 2HB LEU 104 HB3 LEU 104 -5.673 5.919 9.519 845 HG LEU 104 HG LEU 104 -7.435 4.419 8.675 846 1HD1 LEU 104 HD21 LEU 104 -7.821 5.574 6.557 847 2HD1 LEU 104 HD22 LEU 104 -7.237 6.681 7.799 848 3HD1 LEU 104 HD23 LEU 104 -6.140 6.114 6.542 849 1HD2 LEU 104 HD11 LEU 104 -7.139 3.101 6.716 850 2HD2 LEU 104 HD12 LEU 104 -5.490 3.709 6.492 851 3HD2 LEU 104 HD13 LEU 104 -5.874 2.674 7.869 852 H ARG 105 HN ARG 105 -2.891 6.397 10.142 853 HA ARG 105 HA ARG 105 -3.420 9.179 9.536 854 1HB ARG 105 HB2 ARG 105 -2.609 7.640 11.832 855 2HB ARG 105 HB3 ARG 105 -1.520 8.994 11.591 856 1HG ARG 105 HG3 ARG 105 -3.453 9.445 13.111 857 2HG ARG 105 HG2 ARG 105 -3.285 10.565 11.758 858 1HD ARG 105 HD3 ARG 105 -5.077 8.174 11.552 859 2HD ARG 105 HD2 ARG 105 -5.631 9.652 12.334 860 HE ARG 105 HE ARG 105 -4.583 10.394 9.881 861 1HH1 ARG 105 HH11 ARG 105 -6.972 7.959 10.655 862 2HH1 ARG 105 HH12 ARG 105 -8.234 8.735 9.738 863 1HH2 ARG 105 HH22 ARG 105 -6.513 11.238 8.410 864 2HH2 ARG 105 HH21 ARG 105 -6.894 9.702 7.677 865 H ASP 106 HN ASP 106 -0.842 6.867 9.216 866 HA ASP 106 HA ASP 106 1.269 8.696 8.690 867 1HB ASP 106 HB2 ASP 106 0.855 5.769 8.101 868 2HB ASP 106 HB3 ASP 106 2.237 6.618 7.433 869 H ILE 107 HN ILE 107 -0.827 6.746 6.625 870 HA ILE 107 HA ILE 107 0.011 7.701 4.145 871 HB ILE 107 HB ILE 107 -2.572 6.512 5.101 872 1HG1 ILE 107 HG13 ILE 107 -0.471 5.456 3.209 873 2HG1 ILE 107 HG12 ILE 107 -0.508 5.109 4.934 874 1HG2 ILE 107 HG21 ILE 107 -3.334 6.320 2.821 875 2HG2 ILE 107 HG22 ILE 107 -3.117 8.012 3.266 876 3HG2 ILE 107 HG23 ILE 107 -1.920 7.210 2.254 877 1HD1 ILE 107 HD11 ILE 107 -1.455 3.251 3.889 878 2HD1 ILE 107 HD12 ILE 107 -2.826 4.160 4.524 879 3HD1 ILE 107 HD13 ILE 107 -2.435 4.247 2.808 880 H ALA 108 HN ALA 108 -2.325 9.034 6.428 881 HA ALA 108 HA ALA 108 -3.604 10.855 4.738 882 1HB ALA 108 HB1 ALA 108 -3.012 11.238 7.663 883 2HB ALA 108 HB2 ALA 108 -4.276 12.028 6.731 884 3HB ALA 108 HB3 ALA 108 -4.352 10.298 7.030 885 H GLU 109 HN GLU 109 -0.798 11.339 6.866 886 HA GLU 109 HA GLU 109 -0.309 13.974 5.814 887 1HB GLU 109 HB2 GLU 109 1.367 12.251 7.653 888 2HB GLU 109 HB3 GLU 109 1.628 13.961 7.324 889 1HG GLU 109 HG2 GLU 109 -0.869 12.828 8.568 890 2HG GLU 109 HG3 GLU 109 0.490 13.494 9.477 891 H GLU 110 HN GLU 110 1.694 11.059 5.984 892 HA GLU 110 HA GLU 110 3.443 10.304 4.834 893 1HB GLU 110 HB3 GLU 110 1.172 10.507 3.123 894 2HB GLU 110 HB2 GLU 110 2.667 10.605 2.244 895 1HG GLU 110 HG3 GLU 110 1.734 8.402 4.022 896 2HG GLU 110 HG2 GLU 110 2.146 8.323 2.310 897 H GLN 111 HN GLN 111 4.717 10.587 2.664 898 HA GLN 111 HA GLN 111 6.691 11.657 2.173 899 1HB GLN 111 HB2 GLN 111 4.425 12.939 0.808 900 2HB GLN 111 HB3 GLN 111 6.032 13.606 0.550 901 1HG GLN 111 HG2 GLN 111 6.749 11.218 0.007 902 2HG GLN 111 HG3 GLN 111 5.024 10.860 -0.065 903 1HE2 GLN 111 HE21 GLN 111 5.128 13.906 -1.015 904 2HE2 GLN 111 HE22 GLN 111 5.036 13.620 -2.713 905 H GLU 112 HN GLU 112 7.213 12.270 4.304 906 HA GLU 112 HA GLU 112 6.736 14.661 5.577 907 1HB GLU 112 HB3 GLU 112 9.023 14.170 6.632 908 2HB GLU 112 HB2 GLU 112 7.780 12.925 6.765 909 1HG GLU 112 HG2 GLU 112 8.754 11.739 4.880 910 2HG GLU 112 HG3 GLU 112 10.009 12.966 4.748 911 H LYS 113 HN LYS 113 9.237 13.927 3.143 912 HA LYS 113 HA LYS 113 10.486 16.463 3.364 913 1HB LYS 113 HB3 LYS 113 10.634 14.238 1.371 914 2HB LYS 113 HB2 LYS 113 11.346 15.794 0.979 915 1HG LYS 113 HG2 LYS 113 13.138 14.679 1.868 916 2HG LYS 113 HG3 LYS 113 12.518 15.529 3.296 917 1HD LYS 113 HD2 LYS 113 11.205 13.399 3.796 918 2HD LYS 113 HD3 LYS 113 12.220 12.619 2.578 919 1HE LYS 113 HE3 LYS 113 14.191 13.588 3.889 920 2HE LYS 113 HE2 LYS 113 13.035 13.830 5.192 921 1HZ LYS 113 HZ1 LYS 113 12.586 11.273 4.489 922 2HZ LYS 113 HZ2 LYS 113 13.614 11.755 5.750 923 3HZ LYS 113 HZ3 LYS 113 14.271 11.419 4.222 924 H TYR 114 HN TYR 114 8.549 15.132 0.667 925 HA TYR 114 HA TYR 114 7.370 16.170 -0.995 926 1HB TYR 114 HB3 TYR 114 5.892 16.374 1.091 927 2HB TYR 114 HB2 TYR 114 6.439 18.042 1.187 928 HD1 TYR 114 HD1 TYR 114 5.247 15.844 -1.607 929 HD2 TYR 114 HD2 TYR 114 4.802 19.517 0.497 930 HE1 TYR 114 HE1 TYR 114 3.470 16.516 -3.169 931 HE2 TYR 114 HE2 TYR 114 3.033 20.200 -1.072 932 HH TYR 114 HH TYR 114 1.291 18.466 -2.727 933 H ALA 115 HN ALA 115 9.717 16.855 -1.435 934 HA ALA 115 HA ALA 115 10.621 19.454 -1.057 935 1HB ALA 115 HB1 ALA 115 12.356 18.258 -1.794 936 2HB ALA 115 HB2 ALA 115 11.331 17.176 -2.748 937 3HB ALA 115 HB3 ALA 115 11.797 18.746 -3.401 938 H ALA 116 HN ALA 116 8.641 18.113 -3.666 939 HA ALA 116 HA ALA 116 8.333 20.865 -4.693 940 1HB ALA 116 HB1 ALA 116 7.754 18.493 -6.406 941 2HB ALA 116 HB2 ALA 116 8.318 20.105 -6.855 942 3HB ALA 116 HB3 ALA 116 9.435 18.963 -6.128 943 H GLU 117 HN GLU 117 6.428 21.714 -4.303 944 HA GLU 117 HA GLU 117 4.170 20.102 -3.551 945 1HB GLU 117 HB2 GLU 117 4.632 22.380 -2.601 946 2HB GLU 117 HB3 GLU 117 4.270 23.061 -4.176 947 1HG GLU 117 HG2 GLU 117 2.002 22.071 -4.015 948 2HG GLU 117 HG3 GLU 117 2.392 21.574 -2.372 949 H ARG 118 HN ARG 118 2.969 19.077 -5.009 950 HA ARG 118 HA ARG 118 1.636 18.683 -6.801 951 1HB ARG 118 HB3 ARG 118 0.852 20.945 -6.925 952 2HB ARG 118 HB2 ARG 118 2.381 21.511 -7.576 953 1HG ARG 118 HG3 ARG 118 1.921 20.072 -9.591 954 2HG ARG 118 HG2 ARG 118 0.290 19.852 -8.953 955 1HD ARG 118 HD2 ARG 118 1.521 22.557 -9.414 956 2HD ARG 118 HD3 ARG 118 0.625 21.702 -10.665 957 HE ARG 118 HE ARG 118 -0.914 21.889 -8.281 958 1HH1 ARG 118 HH12 ARG 118 0.162 24.889 -10.103 959 2HH1 ARG 118 HH11 ARG 118 -0.661 24.082 -11.413 960 1HH2 ARG 118 HH21 ARG 118 -3.001 23.169 -8.790 961 2HH2 ARG 118 HH22 ARG 118 -2.501 24.827 -8.973 962 H ASP 119 HN ASP 119 4.470 20.539 -7.954 963 HA ASP 119 HA ASP 119 5.909 18.350 -8.912 964 1HB ASP 119 HB2 ASP 119 5.514 18.378 -11.270 965 2HB ASP 119 HB3 ASP 119 3.954 18.223 -10.467 Start of MODEL 11 1 1H MET 1 HT1 MET 1 13.752 1.167 16.615 2 2H MET 1 HT2 MET 1 15.399 1.329 17.086 3 3H MET 1 HT3 MET 1 14.535 -0.115 17.445 4 HA MET 1 HA MET 1 14.533 0.581 14.685 5 1HB MET 1 HB3 MET 1 16.902 -0.144 14.367 6 2HB MET 1 HB2 MET 1 16.741 1.409 15.173 7 1HG MET 1 HG2 MET 1 17.133 0.326 17.325 8 2HG MET 1 HG3 MET 1 17.319 -1.223 16.505 9 1HE MET 1 HE1 MET 1 20.332 0.521 18.209 10 2HE MET 1 HE2 MET 1 19.074 -0.711 18.341 11 3HE MET 1 HE3 MET 1 20.608 -1.100 17.555 12 H GLY 2 HN GLY 2 12.815 -1.026 15.621 13 1HA GLY 2 HA1 GLY 2 12.732 -3.368 14.497 14 2HA GLY 2 HA2 GLY 2 13.933 -3.741 15.724 15 H ASP 3 HN ASP 3 13.197 -2.761 17.931 16 HA ASP 3 HA ASP 3 12.024 -3.447 19.766 17 1HB ASP 3 HB3 ASP 3 10.119 -1.768 18.164 18 2HB ASP 3 HB2 ASP 3 9.721 -2.337 19.779 19 H THR 4 HN THR 4 8.872 -3.457 18.594 20 HA THR 4 HA THR 4 8.859 -6.395 18.620 21 HB THR 4 HB THR 4 6.368 -5.974 19.253 22 HG1 THR 4 HG1 THR 4 7.083 -3.702 20.568 23 1HG2 THR 4 HG21 THR 4 8.519 -6.578 20.740 24 2HG2 THR 4 HG22 THR 4 6.894 -6.379 21.404 25 3HG2 THR 4 HG23 THR 4 8.053 -5.044 21.484 26 H GLY 5 HN GLY 5 9.423 -6.174 16.311 27 1HA GLY 5 HA2 GLY 5 8.808 -6.462 14.113 28 2HA GLY 5 HA1 GLY 5 7.143 -6.578 14.665 29 H LYS 6 HN LYS 6 9.188 -3.833 15.315 30 HA LYS 6 HA LYS 6 7.509 -2.206 13.520 31 1HB LYS 6 HB2 LYS 6 8.875 -1.447 16.110 32 2HB LYS 6 HB3 LYS 6 8.018 -0.318 15.065 33 1HG LYS 6 HG2 LYS 6 5.950 -1.462 15.432 34 2HG LYS 6 HG3 LYS 6 6.761 -2.751 16.323 35 1HD LYS 6 HD2 LYS 6 7.456 -1.061 18.003 36 2HD LYS 6 HD3 LYS 6 6.490 0.141 17.145 37 1HE LYS 6 HE2 LYS 6 5.453 -2.404 18.385 38 2HE LYS 6 HE3 LYS 6 5.291 -0.791 19.066 39 1HZ LYS 6 HZ1 LYS 6 4.042 -0.196 16.990 40 2HZ LYS 6 HZ2 LYS 6 3.268 -1.314 18.004 41 3HZ LYS 6 HZ3 LYS 6 4.036 -1.847 16.594 42 H LEU 7 HN LEU 7 8.485 -0.660 12.246 43 HA LEU 7 HA LEU 7 10.044 0.276 10.925 44 1HB LEU 7 HB2 LEU 7 11.823 -0.339 13.266 45 2HB LEU 7 HB3 LEU 7 12.441 0.400 11.805 46 HG LEU 7 HG LEU 7 10.288 1.559 13.591 47 1HD1 LEU 7 HD21 LEU 7 12.670 1.481 14.469 48 2HD1 LEU 7 HD22 LEU 7 13.073 2.598 13.168 49 3HD1 LEU 7 HD23 LEU 7 11.895 3.068 14.393 50 1HD2 LEU 7 HD11 LEU 7 10.128 3.358 12.177 51 2HD2 LEU 7 HD12 LEU 7 11.709 3.077 11.460 52 3HD2 LEU 7 HD13 LEU 7 10.351 2.046 11.023 53 H GLY 8 HN GLY 8 12.712 -0.433 10.428 54 1HA GLY 8 HA2 GLY 8 14.004 -2.239 9.569 55 2HA GLY 8 HA1 GLY 8 12.552 -3.247 9.581 56 H ARG 9 HN ARG 9 10.782 -1.507 8.504 57 HA ARG 9 HA ARG 9 11.737 -1.068 5.754 58 1HB ARG 9 HB3 ARG 9 8.893 -1.585 6.680 59 2HB ARG 9 HB2 ARG 9 9.453 -1.455 5.016 60 1HG ARG 9 HG2 ARG 9 10.302 -3.612 6.909 61 2HG ARG 9 HG3 ARG 9 8.980 -3.776 5.760 62 1HD ARG 9 HD2 ARG 9 10.614 -3.233 3.950 63 2HD ARG 9 HD3 ARG 9 11.900 -3.322 5.150 64 HE ARG 9 HE ARG 9 10.618 -5.510 3.855 65 1HH1 ARG 9 HH12 ARG 9 12.964 -5.248 6.783 66 2HH1 ARG 9 HH11 ARG 9 11.436 -5.551 7.576 67 1HH2 ARG 9 HH22 ARG 9 11.861 -7.644 4.500 68 2HH2 ARG 9 HH21 ARG 9 10.839 -7.873 5.884 69 H ILE 10 HN ILE 10 11.606 1.014 5.108 70 HA ILE 10 HA ILE 10 11.463 3.162 6.714 71 HB ILE 10 HB ILE 10 12.159 3.340 4.419 72 1HG1 ILE 10 HG12 ILE 10 11.014 5.460 3.758 73 2HG1 ILE 10 HG13 ILE 10 9.828 5.177 5.030 74 1HG2 ILE 10 HG21 ILE 10 10.570 3.389 2.565 75 2HG2 ILE 10 HG22 ILE 10 10.557 1.841 3.409 76 3HG2 ILE 10 HG23 ILE 10 9.258 3.004 3.688 77 1HD1 ILE 10 HD11 ILE 10 12.435 6.367 5.183 78 2HD1 ILE 10 HD12 ILE 10 11.158 6.310 6.393 79 3HD1 ILE 10 HD13 ILE 10 12.321 4.991 6.278 80 H ILE 11 HN ILE 11 8.587 1.794 5.081 81 HA ILE 11 HA ILE 11 6.985 3.456 6.897 82 HB ILE 11 HB ILE 11 5.853 2.328 4.364 83 1HG1 ILE 11 HG13 ILE 11 7.373 4.936 4.680 84 2HG1 ILE 11 HG12 ILE 11 7.833 3.573 3.660 85 1HG2 ILE 11 HG21 ILE 11 4.640 4.683 4.763 86 2HG2 ILE 11 HG22 ILE 11 4.101 3.192 5.528 87 3HG2 ILE 11 HG23 ILE 11 5.108 4.325 6.422 88 1HD1 ILE 11 HD11 ILE 11 5.176 4.705 3.138 89 2HD1 ILE 11 HD12 ILE 11 6.548 5.751 2.768 90 3HD1 ILE 11 HD13 ILE 11 6.425 4.159 2.022 91 H ARG 12 HN ARG 12 4.973 1.291 5.315 92 HA ARG 12 HA ARG 12 5.420 -0.848 7.268 93 1HB ARG 12 HB3 ARG 12 2.876 0.756 7.060 94 2HB ARG 12 HB2 ARG 12 2.958 -0.831 7.815 95 1HG ARG 12 HG2 ARG 12 4.560 0.001 9.442 96 2HG ARG 12 HG3 ARG 12 4.459 1.610 8.714 97 1HD ARG 12 HD3 ARG 12 3.038 1.455 10.687 98 2HD ARG 12 HD2 ARG 12 2.069 1.693 9.234 99 HE ARG 12 HE ARG 12 1.113 -0.354 9.573 100 1HH1 ARG 12 HH12 ARG 12 2.699 -0.081 12.692 101 2HH1 ARG 12 HH11 ARG 12 4.023 -1.051 12.096 102 1HH2 ARG 12 HH22 ARG 12 0.971 -2.504 10.391 103 2HH2 ARG 12 HH21 ARG 12 1.772 -2.824 11.908 104 H HIS 13 HN HIS 13 3.951 -2.666 7.023 105 HA HIS 13 HA HIS 13 2.820 -2.980 4.339 106 1HB HIS 13 HB2 HIS 13 3.854 -5.074 3.978 107 2HB HIS 13 HB3 HIS 13 5.153 -4.072 4.606 108 HD1 HIS 13 HD1 HIS 13 5.578 -4.436 7.319 109 HD2 HIS 13 HD2 HIS 13 3.588 -7.439 5.251 110 HE1 HIS 13 HE1 HIS 13 5.678 -6.454 8.807 111 HE2 HIS 13 HE2 HIS 13 4.238 -8.168 7.647 112 H ASP 14 HN ASP 14 0.725 -3.763 4.506 113 HA ASP 14 HA ASP 14 -0.025 -5.403 6.783 114 1HB ASP 14 HB3 ASP 14 -0.341 -2.590 6.869 115 2HB ASP 14 HB2 ASP 14 -1.955 -3.265 6.729 116 H ALA 15 HN ALA 15 -1.964 -6.510 6.533 117 HA ALA 15 HA ALA 15 -2.806 -6.838 3.801 118 1HB ALA 15 HB1 ALA 15 -3.752 -8.845 4.495 119 2HB ALA 15 HB2 ALA 15 -2.357 -8.645 5.563 120 3HB ALA 15 HB3 ALA 15 -3.980 -8.271 6.154 121 H PHE 16 HN PHE 16 -4.471 -5.851 2.856 122 HA PHE 16 HA PHE 16 -6.742 -5.069 4.558 123 1HB PHE 16 HB2 PHE 16 -5.704 -3.487 2.190 124 2HB PHE 16 HB3 PHE 16 -7.159 -3.131 3.110 125 HD1 PHE 16 HD1 PHE 16 -3.455 -3.377 3.481 126 HD2 PHE 16 HD2 PHE 16 -7.115 -1.791 4.965 127 HE1 PHE 16 HE1 PHE 16 -2.201 -1.947 5.044 128 HE2 PHE 16 HE2 PHE 16 -5.865 -0.355 6.524 129 HZ PHE 16 HZ PHE 16 -3.409 -0.433 6.564 130 H GLN 17 HN GLN 17 -8.353 -6.480 4.040 131 HA GLN 17 HA GLN 17 -8.575 -7.580 1.404 132 1HB GLN 17 HB3 GLN 17 -9.217 -8.851 3.453 133 2HB GLN 17 HB2 GLN 17 -10.523 -7.708 3.724 134 1HG GLN 17 HG3 GLN 17 -11.581 -8.391 1.648 135 2HG GLN 17 HG2 GLN 17 -10.246 -9.493 1.319 136 1HE2 GLN 17 HE21 GLN 17 -13.317 -9.453 2.287 137 2HE2 GLN 17 HE22 GLN 17 -13.356 -10.795 3.371 138 H VAL 18 HN VAL 18 -9.435 -6.500 -0.222 139 HA VAL 18 HA VAL 18 -11.818 -4.981 0.050 140 HB VAL 18 HB VAL 18 -10.282 -3.083 -1.258 141 1HG1 VAL 18 HG21 VAL 18 -10.779 -2.393 1.487 142 2HG1 VAL 18 HG22 VAL 18 -11.531 -1.781 0.008 143 3HG1 VAL 18 HG23 VAL 18 -12.147 -3.247 0.775 144 1HG2 VAL 18 HG11 VAL 18 -8.737 -2.537 0.804 145 2HG2 VAL 18 HG12 VAL 18 -8.716 -4.295 0.925 146 3HG2 VAL 18 HG13 VAL 18 -8.191 -3.509 -0.566 147 H TRP 19 HN TRP 19 -11.950 -3.580 -2.065 148 HA TRP 19 HA TRP 19 -11.806 -5.483 -4.263 149 1HB TRP 19 HB2 TRP 19 -13.261 -2.842 -4.082 150 2HB TRP 19 HB3 TRP 19 -13.571 -4.160 -5.209 151 HD1 TRP 19 HD1 TRP 19 -15.020 -6.227 -4.313 152 HE1 TRP 19 HE1 TRP 19 -16.535 -6.526 -2.248 153 HE3 TRP 19 HE3 TRP 19 -13.417 -2.219 -1.521 154 HZ2 TRP 19 HZ2 TRP 19 -16.975 -5.257 0.219 155 HZ3 TRP 19 HZ3 TRP 19 -14.444 -1.863 0.681 156 HH2 TRP 19 HH2 TRP 19 -16.179 -3.346 1.535 157 H GLU 20 HN GLU 20 -10.262 -5.240 -5.775 158 HA GLU 20 HA GLU 20 -9.327 -2.548 -6.494 159 1HB GLU 20 HB2 GLU 20 -7.702 -3.468 -4.883 160 2HB GLU 20 HB3 GLU 20 -7.521 -4.874 -5.912 161 1HG GLU 20 HG3 GLU 20 -6.944 -2.191 -7.034 162 2HG GLU 20 HG2 GLU 20 -5.761 -2.978 -5.988 163 H GLY 21 HN GLY 21 -9.905 -2.398 -8.546 164 1HA GLY 21 HA1 GLY 21 -9.230 -2.987 -10.831 165 2HA GLY 21 HA2 GLY 21 -9.380 -4.672 -10.356 166 H ASP 22 HN ASP 22 -11.192 -5.597 -11.081 167 HA ASP 22 HA ASP 22 -13.458 -4.027 -11.994 168 1HB ASP 22 HB3 ASP 22 -12.422 -6.525 -12.635 169 2HB ASP 22 HB2 ASP 22 -13.859 -6.922 -11.703 170 H GLU 23 HN GLU 23 -12.792 -3.726 -9.284 171 HA GLU 23 HA GLU 23 -13.541 -3.706 -7.170 172 1HB GLU 23 HB3 GLU 23 -15.416 -2.576 -8.374 173 2HB GLU 23 HB2 GLU 23 -16.285 -4.104 -8.344 174 1HG GLU 23 HG2 GLU 23 -16.356 -4.090 -5.944 175 2HG GLU 23 HG3 GLU 23 -15.284 -2.689 -5.885 176 HA PRO 24 HA PRO 24 -14.295 -8.269 -6.734 177 1HB PRO 24 HB2 PRO 24 -11.916 -9.387 -7.259 178 2HB PRO 24 HB3 PRO 24 -13.020 -8.933 -8.556 179 1HG PRO 24 HG2 PRO 24 -10.477 -7.696 -7.758 180 2HG PRO 24 HG3 PRO 24 -11.342 -7.583 -9.304 181 1HD PRO 24 HD2 PRO 24 -11.334 -5.720 -7.072 182 2HD PRO 24 HD3 PRO 24 -12.060 -5.532 -8.683 183 HA PRO 25 HA PRO 25 -12.526 -7.680 -2.659 184 1HB PRO 25 HB3 PRO 25 -13.717 -9.842 -1.486 185 2HB PRO 25 HB2 PRO 25 -14.430 -8.248 -1.643 186 1HG PRO 25 HG3 PRO 25 -15.023 -10.736 -3.119 187 2HG PRO 25 HG2 PRO 25 -16.048 -9.312 -2.850 188 1HD PRO 25 HD2 PRO 25 -14.685 -9.969 -5.214 189 2HD PRO 25 HD3 PRO 25 -15.462 -8.422 -4.838 190 H LYS 26 HN LYS 26 -10.504 -8.095 -2.878 191 HA LYS 26 HA LYS 26 -9.628 -10.911 -3.005 192 1HB LYS 26 HB2 LYS 26 -9.164 -9.071 -4.916 193 2HB LYS 26 HB3 LYS 26 -7.770 -8.763 -3.889 194 1HG LYS 26 HG3 LYS 26 -6.981 -10.981 -4.139 195 2HG LYS 26 HG2 LYS 26 -8.485 -11.501 -4.894 196 1HD LYS 26 HD2 LYS 26 -6.546 -9.510 -6.079 197 2HD LYS 26 HD3 LYS 26 -6.662 -11.217 -6.524 198 1HE LYS 26 HE3 LYS 26 -8.953 -9.267 -6.750 199 2HE LYS 26 HE2 LYS 26 -7.841 -9.609 -8.067 200 1HZ LYS 26 HZ1 LYS 26 -9.889 -10.919 -8.212 201 2HZ LYS 26 HZ2 LYS 26 -9.558 -11.632 -6.714 202 3HZ LYS 26 HZ3 LYS 26 -8.533 -11.918 -8.035 203 H LEU 27 HN LEU 27 -7.310 -11.189 -2.121 204 HA LEU 27 HA LEU 27 -7.133 -9.750 0.439 205 1HB LEU 27 HB3 LEU 27 -7.450 -12.218 0.565 206 2HB LEU 27 HB2 LEU 27 -5.987 -12.433 -0.379 207 HG LEU 27 HG LEU 27 -4.653 -11.435 1.417 208 1HD1 LEU 27 HD21 LEU 27 -7.247 -11.300 2.961 209 2HD1 LEU 27 HD22 LEU 27 -5.636 -11.016 3.629 210 3HD1 LEU 27 HD23 LEU 27 -6.285 -9.935 2.395 211 1HD2 LEU 27 HD11 LEU 27 -6.091 -13.934 1.544 212 2HD2 LEU 27 HD12 LEU 27 -4.407 -13.573 1.929 213 3HD2 LEU 27 HD13 LEU 27 -5.656 -13.360 3.159 214 H ARG 28 HN ARG 28 -5.751 -8.062 0.083 215 HA ARG 28 HA ARG 28 -3.226 -8.747 -1.261 216 1HB ARG 28 HB3 ARG 28 -4.719 -6.140 -1.457 217 2HB ARG 28 HB2 ARG 28 -3.185 -6.523 -2.233 218 1HG ARG 28 HG2 ARG 28 -4.258 -8.232 -3.564 219 2HG ARG 28 HG3 ARG 28 -5.802 -7.908 -2.764 220 1HD ARG 28 HD3 ARG 28 -4.198 -5.986 -4.433 221 2HD ARG 28 HD2 ARG 28 -5.699 -6.782 -4.912 222 HE ARG 28 HE ARG 28 -5.434 -4.432 -3.324 223 1HH1 ARG 28 HH12 ARG 28 -7.780 -6.486 -4.719 224 2HH1 ARG 28 HH11 ARG 28 -8.519 -6.881 -3.198 225 1HH2 ARG 28 HH21 ARG 28 -7.509 -4.017 -1.657 226 2HH2 ARG 28 HH22 ARG 28 -8.543 -3.855 -3.042 227 H TYR 29 HN TYR 29 -1.471 -8.403 -0.135 228 HA TYR 29 HA TYR 29 -1.571 -6.882 2.345 229 1HB TYR 29 HB2 TYR 29 0.858 -8.177 1.084 230 2HB TYR 29 HB3 TYR 29 0.620 -7.746 2.771 231 HD1 TYR 29 HD1 TYR 29 -1.801 -8.925 3.603 232 HD2 TYR 29 HD2 TYR 29 1.028 -10.468 0.831 233 HE1 TYR 29 HE1 TYR 29 -2.518 -11.208 4.153 234 HE2 TYR 29 HE2 TYR 29 0.309 -12.760 1.368 235 HH TYR 29 HH TYR 29 -1.161 -14.027 2.485 236 H VAL 30 HN VAL 30 -1.072 -4.740 2.342 237 HA VAL 30 HA VAL 30 0.092 -3.626 -0.089 238 HB VAL 30 HB VAL 30 -1.026 -2.209 2.350 239 1HG1 VAL 30 HG21 VAL 30 0.624 -1.207 0.335 240 2HG1 VAL 30 HG22 VAL 30 -1.002 -0.670 -0.089 241 3HG1 VAL 30 HG23 VAL 30 -0.329 -0.280 1.494 242 1HG2 VAL 30 HG11 VAL 30 -2.920 -1.657 0.779 243 2HG2 VAL 30 HG12 VAL 30 -2.262 -2.870 -0.317 244 3HG2 VAL 30 HG13 VAL 30 -2.826 -3.345 1.286 245 H PHE 31 HN PHE 31 2.081 -2.666 -0.168 246 HA PHE 31 HA PHE 31 3.663 -2.586 2.314 247 1HB PHE 31 HB3 PHE 31 4.870 -3.399 -0.330 248 2HB PHE 31 HB2 PHE 31 5.580 -3.525 1.270 249 HD1 PHE 31 HD1 PHE 31 3.378 -5.082 -1.173 250 HD2 PHE 31 HD2 PHE 31 4.955 -5.320 2.769 251 HE1 PHE 31 HE1 PHE 31 2.672 -7.436 -1.038 252 HE2 PHE 31 HE2 PHE 31 4.263 -7.676 2.909 253 HZ PHE 31 HZ PHE 31 3.119 -8.734 1.003 254 H LEU 32 HN LEU 32 3.767 -0.372 2.534 255 HA LEU 32 HA LEU 32 4.443 1.179 0.142 256 1HB LEU 32 HB2 LEU 32 4.438 2.752 2.573 257 2HB LEU 32 HB3 LEU 32 3.591 3.000 1.058 258 HG LEU 32 HG LEU 32 2.562 1.108 3.157 259 1HD1 LEU 32 HD11 LEU 32 1.046 3.461 3.212 260 2HD1 LEU 32 HD12 LEU 32 2.119 2.850 4.472 261 3HD1 LEU 32 HD13 LEU 32 2.733 3.987 3.269 262 1HD2 LEU 32 HD21 LEU 32 1.624 2.228 0.588 263 2HD2 LEU 32 HD22 LEU 32 1.309 0.660 1.325 264 3HD2 LEU 32 HD23 LEU 32 0.429 2.083 1.869 265 H PHE 33 HN PHE 33 6.410 1.952 -0.245 266 HA PHE 33 HA PHE 33 8.374 1.827 1.925 267 1HB PHE 33 HB3 PHE 33 8.728 0.866 -0.925 268 2HB PHE 33 HB2 PHE 33 10.073 1.118 0.188 269 HD1 PHE 33 HD1 PHE 33 9.461 -0.047 2.637 270 HD2 PHE 33 HD2 PHE 33 8.181 -1.328 -1.223 271 HE1 PHE 33 HE1 PHE 33 9.137 -2.322 3.499 272 HE2 PHE 33 HE2 PHE 33 7.863 -3.607 -0.357 273 HZ PHE 33 HZ PHE 33 8.336 -4.106 2.006 274 H ARG 34 HN ARG 34 10.524 2.931 0.774 275 HA ARG 34 HA ARG 34 9.680 5.659 0.404 276 1HB ARG 34 HB2 ARG 34 11.710 4.863 1.759 277 2HB ARG 34 HB3 ARG 34 12.507 4.603 0.217 278 1HG ARG 34 HG2 ARG 34 11.333 7.270 0.907 279 2HG ARG 34 HG3 ARG 34 12.931 6.807 1.488 280 1HD ARG 34 HD3 ARG 34 13.462 6.279 -0.950 281 2HD ARG 34 HD2 ARG 34 11.984 7.155 -1.337 282 HE ARG 34 HE ARG 34 13.650 8.715 0.355 283 1HH1 ARG 34 HH11 ARG 34 14.234 7.679 -3.170 284 2HH1 ARG 34 HH12 ARG 34 13.149 9.023 -3.436 285 1HH2 ARG 34 HH21 ARG 34 15.611 10.067 -1.072 286 2HH2 ARG 34 HH22 ARG 34 14.339 10.933 -1.869 287 H ASN 35 HN ASN 35 9.460 6.689 -1.444 288 HA ASN 35 HA ASN 35 9.788 7.324 -3.611 289 1HB ASN 35 HB2 ASN 35 11.970 6.479 -3.842 290 2HB ASN 35 HB3 ASN 35 11.415 4.810 -3.770 291 1HD2 ASN 35 HD21 ASN 35 11.575 3.823 -5.562 292 2HD2 ASN 35 HD22 ASN 35 11.255 4.458 -7.139 293 H LYS 36 HN LYS 36 8.372 4.282 -2.683 294 HA LYS 36 HA LYS 36 6.165 4.784 -4.368 295 1HB LYS 36 HB2 LYS 36 6.296 2.838 -5.871 296 2HB LYS 36 HB3 LYS 36 7.551 4.026 -6.171 297 1HG LYS 36 HG3 LYS 36 8.745 2.101 -6.344 298 2HG LYS 36 HG2 LYS 36 8.976 2.464 -4.633 299 1HD LYS 36 HD3 LYS 36 7.414 0.829 -3.967 300 2HD LYS 36 HD2 LYS 36 6.764 0.674 -5.598 301 1HE LYS 36 HE3 LYS 36 8.931 -0.267 -6.330 302 2HE LYS 36 HE2 LYS 36 9.503 -0.179 -4.664 303 1HZ LYS 36 HZ1 LYS 36 7.045 -1.535 -4.708 304 2HZ LYS 36 HZ2 LYS 36 8.565 -2.128 -4.262 305 3HZ LYS 36 HZ3 LYS 36 8.049 -2.239 -5.877 306 H ILE 37 HN ILE 37 4.641 2.874 -4.490 307 HA ILE 37 HA ILE 37 4.680 1.357 -1.948 308 HB ILE 37 HB ILE 37 2.287 2.561 -3.378 309 1HG1 ILE 37 HG12 ILE 37 3.660 3.365 -0.808 310 2HG1 ILE 37 HG13 ILE 37 3.627 4.283 -2.313 311 1HG2 ILE 37 HG21 ILE 37 2.486 0.902 -0.876 312 2HG2 ILE 37 HG22 ILE 37 1.107 1.949 -1.215 313 3HG2 ILE 37 HG23 ILE 37 1.495 0.622 -2.306 314 1HD1 ILE 37 HD11 ILE 37 1.266 3.666 -0.548 315 2HD1 ILE 37 HD12 ILE 37 2.084 5.225 -0.713 316 3HD1 ILE 37 HD13 ILE 37 1.196 4.542 -2.079 317 H MET 38 HN MET 38 3.174 -0.637 -2.188 318 HA MET 38 HA MET 38 2.487 -1.560 -4.770 319 1HB MET 38 HB3 MET 38 4.091 -3.319 -5.081 320 2HB MET 38 HB2 MET 38 4.973 -1.811 -4.868 321 1HG MET 38 HG2 MET 38 5.457 -2.381 -2.573 322 2HG MET 38 HG3 MET 38 4.493 -3.848 -2.704 323 1HE MET 38 HE1 MET 38 7.256 -6.029 -2.654 324 2HE MET 38 HE2 MET 38 7.821 -4.570 -1.841 325 3HE MET 38 HE3 MET 38 6.133 -5.059 -1.700 326 H PHE 39 HN PHE 39 1.861 -3.915 -4.683 327 HA PHE 39 HA PHE 39 1.465 -5.100 -2.133 328 1HB PHE 39 HB3 PHE 39 -0.982 -5.117 -2.122 329 2HB PHE 39 HB2 PHE 39 -0.354 -3.487 -2.006 330 HD1 PHE 39 HD1 PHE 39 -1.501 -5.838 -4.687 331 HD2 PHE 39 HD2 PHE 39 -1.481 -1.868 -3.147 332 HE1 PHE 39 HE1 PHE 39 -3.044 -5.134 -6.470 333 HE2 PHE 39 HE2 PHE 39 -3.022 -1.169 -4.941 334 HZ PHE 39 HZ PHE 39 -3.794 -2.803 -6.595 335 H THR 40 HN THR 40 -0.223 -7.080 -2.570 336 HA THR 40 HA THR 40 0.471 -8.199 -5.193 337 HB THR 40 HB THR 40 0.709 -10.427 -3.983 338 HG1 THR 40 HG1 THR 40 1.445 -9.191 -1.650 339 1HG2 THR 40 HG21 THR 40 2.783 -8.417 -3.143 340 2HG2 THR 40 HG22 THR 40 2.678 -9.113 -4.763 341 3HG2 THR 40 HG23 THR 40 2.990 -10.157 -3.370 342 H GLU 41 HN GLU 41 -1.342 -8.755 -6.241 343 HA GLU 41 HA GLU 41 -3.819 -8.800 -4.783 344 1HB GLU 41 HB2 GLU 41 -4.883 -9.078 -6.997 345 2HB GLU 41 HB3 GLU 41 -3.827 -7.678 -6.902 346 1HG GLU 41 HG2 GLU 41 -2.900 -10.288 -8.041 347 2HG GLU 41 HG3 GLU 41 -3.750 -9.096 -9.018 348 H GLN 42 HN GLN 42 -2.935 -10.773 -3.560 349 HA GLN 42 HA GLN 42 -3.122 -13.291 -4.937 350 1HB GLN 42 HB2 GLN 42 -3.072 -12.694 -1.967 351 2HB GLN 42 HB3 GLN 42 -2.903 -14.288 -2.692 352 1HG GLN 42 HG3 GLN 42 -0.850 -13.654 -3.755 353 2HG GLN 42 HG2 GLN 42 -1.043 -11.988 -3.211 354 1HE2 GLN 42 HE21 GLN 42 0.294 -11.509 -1.650 355 2HE2 GLN 42 HE22 GLN 42 0.828 -12.574 -0.396 356 H ASP 43 HN ASP 43 -4.920 -14.454 -5.289 357 HA ASP 43 HA ASP 43 -7.383 -13.409 -4.154 358 1HB ASP 43 HB3 ASP 43 -6.980 -13.653 -6.683 359 2HB ASP 43 HB2 ASP 43 -7.273 -15.369 -6.409 360 H ALA 44 HN ALA 44 -7.306 -14.292 -2.223 361 HA ALA 44 HA ALA 44 -7.840 -15.743 -0.608 362 1HB ALA 44 HB1 ALA 44 -9.139 -16.838 -2.868 363 2HB ALA 44 HB2 ALA 44 -8.438 -18.170 -1.948 364 3HB ALA 44 HB3 ALA 44 -9.541 -17.040 -1.160 365 H SER 45 HN SER 45 -7.242 -18.149 0.167 366 HA SER 45 HA SER 45 -4.397 -18.263 -0.039 367 1HB SER 45 HB3 SER 45 -6.276 -20.076 1.495 368 2HB SER 45 HB2 SER 45 -4.546 -19.879 1.760 369 HG SER 45 HG SER 45 -4.883 -17.837 2.535 370 H THR 46 HN THR 46 -3.820 -20.815 0.190 371 HA THR 46 HA THR 46 -3.155 -22.610 -1.059 372 HB THR 46 HB THR 46 -4.979 -23.893 -2.253 373 HG1 THR 46 HG1 THR 46 -6.300 -21.579 -1.929 374 1HG2 THR 46 HG21 THR 46 -6.106 -23.354 0.407 375 2HG2 THR 46 HG22 THR 46 -4.431 -23.905 0.334 376 3HG2 THR 46 HG23 THR 46 -5.712 -24.880 -0.387 377 H SER 47 HN SER 47 -4.763 -23.058 -3.818 378 HA SER 47 HA SER 47 -3.599 -20.814 -5.228 379 1HB SER 47 HB3 SER 47 -2.764 -23.655 -5.816 380 2HB SER 47 HB2 SER 47 -2.324 -22.239 -6.776 381 HG SER 47 HG SER 47 -1.643 -21.524 -4.428 382 HA PRO 48 HA PRO 48 -7.426 -22.731 -7.295 383 1HB PRO 48 HB3 PRO 48 -9.072 -20.548 -6.292 384 2HB PRO 48 HB2 PRO 48 -9.323 -22.291 -6.150 385 1HG PRO 48 HG3 PRO 48 -8.669 -20.702 -4.034 386 2HG PRO 48 HG2 PRO 48 -8.220 -22.414 -4.138 387 1HD PRO 48 HD3 PRO 48 -6.555 -19.981 -4.672 388 2HD PRO 48 HD2 PRO 48 -6.115 -21.487 -3.849 389 HA PRO 49 HA PRO 49 -7.707 -18.764 -9.878 390 1HB PRO 49 HB2 PRO 49 -7.282 -16.340 -8.351 391 2HB PRO 49 HB3 PRO 49 -8.749 -16.862 -9.190 392 1HG PRO 49 HG2 PRO 49 -8.560 -16.679 -6.478 393 2HG PRO 49 HG3 PRO 49 -9.646 -17.815 -7.320 394 1HD PRO 49 HD3 PRO 49 -6.945 -18.320 -6.101 395 2HD PRO 49 HD2 PRO 49 -8.429 -19.299 -5.999 396 H SER 50 HN SER 50 -5.580 -17.822 -7.202 397 HA SER 50 HA SER 50 -3.399 -17.427 -6.972 398 1HB SER 50 HB2 SER 50 -1.782 -18.690 -8.263 399 2HB SER 50 HB3 SER 50 -3.155 -19.711 -7.856 400 HG SER 50 HG SER 50 -3.855 -18.842 -10.129 401 H TYR 51 HN TYR 51 -2.100 -15.782 -7.221 402 HA TYR 51 HA TYR 51 -1.740 -14.535 -9.822 403 1HB TYR 51 HB3 TYR 51 -3.743 -13.565 -8.254 404 2HB TYR 51 HB2 TYR 51 -2.390 -12.580 -7.718 405 HD1 TYR 51 HD1 TYR 51 -0.890 -11.758 -9.921 406 HD2 TYR 51 HD2 TYR 51 -5.061 -12.594 -9.833 407 HE1 TYR 51 HE1 TYR 51 -1.222 -10.283 -11.862 408 HE2 TYR 51 HE2 TYR 51 -5.402 -11.123 -11.772 409 HH TYR 51 HH TYR 51 -3.936 -10.296 -13.737 410 H THR 52 HN THR 52 -0.284 -12.366 -9.244 411 HA THR 52 HA THR 52 1.717 -13.250 -7.289 412 HB THR 52 HB THR 52 3.421 -12.305 -8.975 413 HG1 THR 52 HG1 THR 52 1.464 -13.006 -10.877 414 1HG2 THR 52 HG21 THR 52 2.546 -14.849 -8.530 415 2HG2 THR 52 HG22 THR 52 3.933 -14.398 -9.517 416 3HG2 THR 52 HG23 THR 52 2.363 -14.683 -10.277 417 H HIS 53 HN HIS 53 2.720 -10.571 -9.124 418 HA HIS 53 HA HIS 53 1.507 -8.616 -7.328 419 1HB HIS 53 HB2 HIS 53 3.802 -7.596 -6.902 420 2HB HIS 53 HB3 HIS 53 3.452 -9.099 -6.049 421 HD1 HIS 53 HD1 HIS 53 4.657 -11.278 -6.968 422 HD2 HIS 53 HD2 HIS 53 6.006 -7.680 -8.557 423 HE1 HIS 53 HE1 HIS 53 6.776 -11.831 -8.201 424 HE2 HIS 53 HE2 HIS 53 7.423 -9.691 -9.349 425 H TYR 54 HN TYR 54 0.631 -8.609 -9.674 426 HA TYR 54 HA TYR 54 2.223 -7.251 -11.634 427 1HB TYR 54 HB3 TYR 54 -0.617 -8.148 -11.448 428 2HB TYR 54 HB2 TYR 54 -0.213 -6.904 -12.628 429 HD1 TYR 54 HD1 TYR 54 1.392 -10.099 -11.508 430 HD2 TYR 54 HD2 TYR 54 0.012 -7.691 -14.725 431 HE1 TYR 54 HE1 TYR 54 2.175 -11.797 -13.108 432 HE2 TYR 54 HE2 TYR 54 0.783 -9.376 -16.330 433 HH TYR 54 HH TYR 54 2.549 -11.197 -16.369 434 H SER 55 HN SER 55 -0.167 -6.296 -9.245 435 HA SER 55 HA SER 55 -0.272 -3.608 -10.293 436 1HB SER 55 HB2 SER 55 -1.473 -4.650 -7.734 437 2HB SER 55 HB3 SER 55 -1.933 -3.199 -8.622 438 HG SER 55 HG SER 55 -2.401 -5.905 -9.229 439 H SER 56 HN SER 56 1.113 -2.108 -9.860 440 HA SER 56 HA SER 56 2.437 -2.075 -7.229 441 1HB SER 56 HB3 SER 56 4.372 -0.962 -8.474 442 2HB SER 56 HB2 SER 56 4.133 -2.680 -8.814 443 HG SER 56 HG SER 56 2.614 -1.471 -10.518 444 H ILE 57 HN ILE 57 2.771 0.057 -6.367 445 HA ILE 57 HA ILE 57 0.999 2.042 -7.615 446 HB ILE 57 HB ILE 57 1.653 1.578 -4.704 447 1HG1 ILE 57 HG13 ILE 57 0.016 0.007 -5.546 448 2HG1 ILE 57 HG12 ILE 57 -0.779 1.171 -4.491 449 1HG2 ILE 57 HG21 ILE 57 0.822 4.008 -5.982 450 2HG2 ILE 57 HG22 ILE 57 -0.440 3.427 -4.890 451 3HG2 ILE 57 HG23 ILE 57 1.194 3.701 -4.281 452 1HD1 ILE 57 HD11 ILE 57 -2.196 1.734 -6.091 453 2HD1 ILE 57 HD12 ILE 57 -0.884 2.072 -7.219 454 3HD1 ILE 57 HD13 ILE 57 -1.522 0.432 -7.072 455 H ARG 58 HN ARG 58 2.010 3.739 -8.467 456 HA ARG 58 HA ARG 58 4.442 4.654 -7.104 457 1HB ARG 58 HB2 ARG 58 5.629 5.020 -9.045 458 2HB ARG 58 HB3 ARG 58 4.765 3.553 -9.457 459 1HG ARG 58 HG2 ARG 58 3.400 6.027 -10.216 460 2HG ARG 58 HG3 ARG 58 4.933 5.728 -11.034 461 1HD ARG 58 HD3 ARG 58 4.057 3.414 -11.550 462 2HD ARG 58 HD2 ARG 58 2.481 3.993 -11.000 463 HE ARG 58 HE ARG 58 2.272 5.133 -12.963 464 1HH1 ARG 58 HH11 ARG 58 6.067 4.841 -12.945 465 2HH1 ARG 58 HH12 ARG 58 5.432 3.709 -14.116 466 1HH2 ARG 58 HH22 ARG 58 3.764 5.419 -15.553 467 2HH2 ARG 58 HH21 ARG 58 4.088 6.896 -14.686 468 H LEU 59 HN LEU 59 4.519 6.786 -6.635 469 HA LEU 59 HA LEU 59 2.103 8.204 -6.579 470 1HB LEU 59 HB2 LEU 59 4.933 8.814 -5.909 471 2HB LEU 59 HB3 LEU 59 3.812 10.153 -6.025 472 HG LEU 59 HG LEU 59 2.354 8.935 -4.349 473 1HD1 LEU 59 HD11 LEU 59 3.356 6.707 -4.695 474 2HD1 LEU 59 HD12 LEU 59 4.844 7.285 -3.946 475 3HD1 LEU 59 HD13 LEU 59 3.356 7.206 -3.002 476 1HD2 LEU 59 HD21 LEU 59 4.113 10.783 -3.880 477 2HD2 LEU 59 HD22 LEU 59 3.423 9.872 -2.535 478 3HD2 LEU 59 HD23 LEU 59 5.029 9.473 -3.141 479 H ASP 60 HN ASP 60 4.164 7.756 -9.133 480 HA ASP 60 HA ASP 60 4.428 10.149 -10.424 481 1HB ASP 60 HB3 ASP 60 5.328 8.030 -11.300 482 2HB ASP 60 HB2 ASP 60 3.697 7.528 -11.745 483 H LYS 61 HN LYS 61 1.683 7.910 -11.212 484 HA LYS 61 HA LYS 61 0.131 10.380 -11.612 485 1HB LYS 61 HB2 LYS 61 -0.059 7.806 -13.160 486 2HB LYS 61 HB3 LYS 61 -1.111 9.198 -13.372 487 1HG LYS 61 HG2 LYS 61 1.016 10.511 -13.897 488 2HG LYS 61 HG3 LYS 61 1.791 8.936 -14.053 489 1HD LYS 61 HD2 LYS 61 0.242 8.286 -15.777 490 2HD LYS 61 HD3 LYS 61 -0.662 9.790 -15.575 491 1HE LYS 61 HE3 LYS 61 1.390 11.039 -16.224 492 2HE LYS 61 HE2 LYS 61 2.170 9.494 -16.556 493 1HZ LYS 61 HZ1 LYS 61 1.377 9.694 -18.600 494 2HZ LYS 61 HZ2 LYS 61 0.359 10.993 -18.174 495 3HZ LYS 61 HZ3 LYS 61 -0.172 9.391 -17.963 496 H TYR 62 HN TYR 62 -0.116 9.536 -9.143 497 HA TYR 62 HA TYR 62 -2.811 8.474 -9.112 498 1HB TYR 62 HB3 TYR 62 -2.383 6.479 -8.207 499 2HB TYR 62 HB2 TYR 62 -0.699 6.755 -8.601 500 HD1 TYR 62 HD1 TYR 62 -3.181 7.104 -5.841 501 HD2 TYR 62 HD2 TYR 62 0.916 6.889 -6.953 502 HE1 TYR 62 HE1 TYR 62 -2.561 6.862 -3.479 503 HE2 TYR 62 HE2 TYR 62 1.546 6.658 -4.584 504 HH TYR 62 HH TYR 62 0.356 7.373 -2.263 505 H ASN 63 HN ASN 63 -4.075 9.419 -7.678 506 HA ASN 63 HA ASN 63 -2.822 11.202 -5.690 507 1HB ASN 63 HB2 ASN 63 -5.470 11.471 -7.144 508 2HB ASN 63 HB3 ASN 63 -4.917 12.552 -5.874 509 1HD2 ASN 63 HD21 ASN 63 -4.197 14.391 -6.652 510 2HD2 ASN 63 HD22 ASN 63 -3.522 14.638 -8.224 511 H ILE 64 HN ILE 64 -3.006 10.376 -3.716 512 HA ILE 64 HA ILE 64 -5.095 8.422 -3.176 513 HB ILE 64 HB ILE 64 -2.767 7.944 -2.480 514 1HG1 ILE 64 HG12 ILE 64 -4.642 8.189 -0.114 515 2HG1 ILE 64 HG13 ILE 64 -4.784 6.948 -1.350 516 1HG2 ILE 64 HG21 ILE 64 -3.039 9.846 -0.203 517 2HG2 ILE 64 HG22 ILE 64 -1.589 9.170 -0.942 518 3HG2 ILE 64 HG23 ILE 64 -2.481 10.449 -1.763 519 1HD1 ILE 64 HD11 ILE 64 -3.030 5.775 -0.564 520 2HD1 ILE 64 HD12 ILE 64 -2.176 7.204 0.006 521 3HD1 ILE 64 HD13 ILE 64 -3.520 6.550 0.934 522 H ARG 65 HN ARG 65 -6.669 8.615 -1.654 523 HA ARG 65 HA ARG 65 -6.973 11.182 -0.263 524 1HB ARG 65 HB3 ARG 65 -9.163 9.816 -1.837 525 2HB ARG 65 HB2 ARG 65 -9.329 11.298 -0.909 526 1HG ARG 65 HG2 ARG 65 -7.639 10.919 -3.371 527 2HG ARG 65 HG3 ARG 65 -9.194 11.753 -3.290 528 1HD ARG 65 HD2 ARG 65 -8.227 13.417 -1.781 529 2HD ARG 65 HD3 ARG 65 -6.686 12.565 -1.816 530 HE ARG 65 HE ARG 65 -6.218 13.577 -3.803 531 1HH1 ARG 65 HH12 ARG 65 -9.918 13.864 -3.680 532 2HH1 ARG 65 HH11 ARG 65 -9.360 15.495 -3.474 533 1HH2 ARG 65 HH22 ARG 65 -7.187 15.769 -5.336 534 2HH2 ARG 65 HH21 ARG 65 -7.723 14.435 -6.322 535 H GLN 66 HN GLN 66 -8.914 11.010 1.262 536 HA GLN 66 HA GLN 66 -9.369 8.306 2.231 537 1HB GLN 66 HB3 GLN 66 -8.815 8.967 4.563 538 2HB GLN 66 HB2 GLN 66 -7.427 8.908 3.492 539 1HG GLN 66 HG2 GLN 66 -7.374 11.305 3.340 540 2HG GLN 66 HG3 GLN 66 -8.865 11.436 4.270 541 1HE2 GLN 66 HE21 GLN 66 -7.466 8.971 5.712 542 2HE2 GLN 66 HE22 GLN 66 -6.708 9.815 7.007 543 H HIS 67 HN HIS 67 -11.395 8.025 2.809 544 HA HIS 67 HA HIS 67 -13.039 10.434 3.262 545 1HB HIS 67 HB3 HIS 67 -13.900 7.712 2.252 546 2HB HIS 67 HB2 HIS 67 -14.974 9.076 2.550 547 HD1 HIS 67 HD1 HIS 67 -14.168 11.330 1.060 548 HD2 HIS 67 HD2 HIS 67 -13.138 7.546 -0.305 549 HE1 HIS 67 HE1 HIS 67 -13.739 11.594 -1.408 550 HE2 HIS 67 HE2 HIS 67 -13.359 9.245 -2.249 551 H THR 68 HN THR 68 -12.949 10.623 5.483 552 HA THR 68 HA THR 68 -13.391 8.235 7.092 553 HB THR 68 HB THR 68 -12.890 11.026 8.144 554 HG1 THR 68 HG1 THR 68 -10.935 9.070 7.448 555 1HG2 THR 68 HG21 THR 68 -12.325 8.276 9.239 556 2HG2 THR 68 HG22 THR 68 -13.434 9.484 9.888 557 3HG2 THR 68 HG23 THR 68 -11.697 9.770 9.936 558 H THR 69 HN THR 69 -14.552 10.031 9.257 559 HA THR 69 HA THR 69 -16.551 10.645 10.093 560 HB THR 69 HB THR 69 -17.582 10.928 7.268 561 HG1 THR 69 HG1 THR 69 -15.615 12.301 8.559 562 1HG2 THR 69 HG21 THR 69 -18.526 13.033 8.694 563 2HG2 THR 69 HG22 THR 69 -18.534 11.758 9.908 564 3HG2 THR 69 HG23 THR 69 -19.414 11.542 8.401 565 H ASP 70 HN ASP 70 -16.480 8.454 10.771 566 HA ASP 70 HA ASP 70 -17.671 6.633 11.428 567 1HB ASP 70 HB3 ASP 70 -19.817 7.558 10.765 568 2HB ASP 70 HB2 ASP 70 -19.500 7.148 9.077 569 H GLU 71 HN GLU 71 -17.925 6.492 7.875 570 HA GLU 71 HA GLU 71 -16.428 3.985 7.980 571 1HB GLU 71 HB3 GLU 71 -18.204 5.243 5.926 572 2HB GLU 71 HB2 GLU 71 -17.027 4.021 5.448 573 1HG GLU 71 HG3 GLU 71 -19.137 3.672 7.558 574 2HG GLU 71 HG2 GLU 71 -19.231 3.057 5.907 575 H ASP 72 HN ASP 72 -14.394 4.546 8.254 576 HA ASP 72 HA ASP 72 -13.109 6.608 6.708 577 1HB ASP 72 HB3 ASP 72 -12.519 6.153 9.080 578 2HB ASP 72 HB2 ASP 72 -11.905 4.575 8.593 579 H THR 73 HN THR 73 -12.821 6.165 4.646 580 HA THR 73 HA THR 73 -11.690 3.543 3.905 581 HB THR 73 HB THR 73 -13.219 5.472 2.153 582 HG1 THR 73 HG1 THR 73 -14.986 4.709 2.932 583 1HG2 THR 73 HG21 THR 73 -12.333 2.639 1.817 584 2HG2 THR 73 HG22 THR 73 -12.056 4.026 0.765 585 3HG2 THR 73 HG23 THR 73 -13.671 3.322 0.890 586 H ILE 74 HN ILE 74 -9.718 3.493 3.006 587 HA ILE 74 HA ILE 74 -8.434 6.020 2.219 588 HB ILE 74 HB ILE 74 -7.094 3.308 2.339 589 1HG1 ILE 74 HG12 ILE 74 -8.129 4.013 4.585 590 2HG1 ILE 74 HG13 ILE 74 -6.412 3.636 4.582 591 1HG2 ILE 74 HG21 ILE 74 -5.331 5.413 2.989 592 2HG2 ILE 74 HG22 ILE 74 -5.363 4.427 1.524 593 3HG2 ILE 74 HG23 ILE 74 -6.268 5.940 1.587 594 1HD1 ILE 74 HD11 ILE 74 -6.416 6.331 4.127 595 2HD1 ILE 74 HD12 ILE 74 -7.768 6.118 5.235 596 3HD1 ILE 74 HD13 ILE 74 -6.162 5.544 5.682 597 H VAL 75 HN VAL 75 -8.740 6.512 0.095 598 HA VAL 75 HA VAL 75 -8.736 4.292 -1.838 599 HB VAL 75 HB VAL 75 -10.379 5.432 -3.145 600 1HG1 VAL 75 HG11 VAL 75 -12.307 5.613 -1.571 601 2HG1 VAL 75 HG12 VAL 75 -11.395 4.112 -1.443 602 3HG1 VAL 75 HG13 VAL 75 -11.162 5.387 -0.244 603 1HG2 VAL 75 HG21 VAL 75 -11.424 7.562 -2.355 604 2HG2 VAL 75 HG22 VAL 75 -10.094 7.698 -1.199 605 3HG2 VAL 75 HG23 VAL 75 -9.762 7.714 -2.935 606 H LEU 76 HN LEU 76 -8.044 4.933 -4.066 607 HA LEU 76 HA LEU 76 -6.542 7.416 -4.132 608 1HB LEU 76 HB3 LEU 76 -4.730 6.040 -5.423 609 2HB LEU 76 HB2 LEU 76 -4.668 6.255 -3.686 610 HG LEU 76 HG LEU 76 -6.054 3.876 -4.769 611 1HD1 LEU 76 HD21 LEU 76 -4.154 3.693 -6.094 612 2HD1 LEU 76 HD22 LEU 76 -3.122 4.433 -4.878 613 3HD1 LEU 76 HD23 LEU 76 -3.700 2.783 -4.652 614 1HD2 LEU 76 HD11 LEU 76 -4.345 4.404 -2.340 615 2HD2 LEU 76 HD12 LEU 76 -6.093 4.200 -2.378 616 3HD2 LEU 76 HD13 LEU 76 -5.036 2.833 -2.744 617 H GLN 77 HN GLN 77 -6.757 8.479 -5.940 618 HA GLN 77 HA GLN 77 -8.243 7.187 -8.112 619 1HB GLN 77 HB2 GLN 77 -7.742 10.144 -7.697 620 2HB GLN 77 HB3 GLN 77 -8.887 9.407 -8.810 621 1HG GLN 77 HG2 GLN 77 -10.120 8.495 -6.858 622 2HG GLN 77 HG3 GLN 77 -9.026 9.405 -5.809 623 1HE2 GLN 77 HE21 GLN 77 -10.128 11.036 -4.998 624 2HE2 GLN 77 HE22 GLN 77 -11.072 12.163 -5.895 625 HA PRO 78 HA PRO 78 -4.228 7.320 -10.140 626 1HB PRO 78 HB3 PRO 78 -4.791 5.466 -11.978 627 2HB PRO 78 HB2 PRO 78 -4.414 5.049 -10.308 628 1HG PRO 78 HG3 PRO 78 -7.069 5.213 -11.670 629 2HG PRO 78 HG2 PRO 78 -6.483 4.011 -10.505 630 1HD PRO 78 HD2 PRO 78 -8.123 6.116 -9.863 631 2HD PRO 78 HD3 PRO 78 -7.022 5.321 -8.713 632 H GLN 79 HN GLN 79 -3.532 8.470 -11.809 633 HA GLN 79 HA GLN 79 -5.436 9.729 -13.664 634 1HB GLN 79 HB2 GLN 79 -2.407 9.863 -13.753 635 2HB GLN 79 HB3 GLN 79 -3.553 11.002 -14.449 636 1HG GLN 79 HG3 GLN 79 -4.247 11.622 -12.146 637 2HG GLN 79 HG2 GLN 79 -2.980 10.569 -11.527 638 1HE2 GLN 79 HE21 GLN 79 -3.722 13.668 -12.284 639 2HE2 GLN 79 HE22 GLN 79 -2.137 14.300 -12.528 640 H GLU 80 HN GLU 80 -3.085 7.497 -13.158 641 HA GLU 80 HA GLU 80 -2.125 5.736 -14.103 642 1HB GLU 80 HB2 GLU 80 -3.762 4.029 -14.684 643 2HB GLU 80 HB3 GLU 80 -4.174 4.917 -13.228 644 1HG GLU 80 HG3 GLU 80 -6.200 5.113 -14.094 645 2HG GLU 80 HG2 GLU 80 -5.502 6.307 -15.186 646 HA PRO 81 HA PRO 81 -1.493 5.741 -18.504 647 1HB PRO 81 HB3 PRO 81 1.080 4.967 -18.293 648 2HB PRO 81 HB2 PRO 81 0.633 6.631 -17.952 649 1HG PRO 81 HG3 PRO 81 1.508 4.521 -16.108 650 2HG PRO 81 HG2 PRO 81 1.433 6.277 -15.848 651 1HD PRO 81 HD2 PRO 81 -0.478 4.217 -15.062 652 2HD PRO 81 HD3 PRO 81 -0.413 5.922 -14.572 653 H GLY 82 HN GLY 82 -2.271 3.955 -16.193 654 1HA GLY 82 HA1 GLY 82 -3.188 1.628 -17.012 655 2HA GLY 82 HA2 GLY 82 -1.478 1.242 -16.780 656 H LEU 83 HN LEU 83 -4.446 1.389 -15.189 657 HA LEU 83 HA LEU 83 -3.819 0.537 -12.705 658 1HB LEU 83 HB3 LEU 83 -2.594 3.037 -12.866 659 2HB LEU 83 HB2 LEU 83 -4.084 3.394 -12.020 660 HG LEU 83 HG LEU 83 -2.082 1.314 -11.129 661 1HD1 LEU 83 HD21 LEU 83 -2.313 4.224 -10.706 662 2HD1 LEU 83 HD22 LEU 83 -1.985 3.251 -9.273 663 3HD1 LEU 83 HD23 LEU 83 -0.888 3.177 -10.657 664 1HD2 LEU 83 HD11 LEU 83 -3.514 1.940 -8.957 665 2HD2 LEU 83 HD12 LEU 83 -4.747 2.193 -10.191 666 3HD2 LEU 83 HD13 LEU 83 -3.953 0.623 -10.046 667 HA PRO 84 HA PRO 84 -8.283 1.387 -12.855 668 1HB PRO 84 HB3 PRO 84 -8.770 -0.869 -11.210 669 2HB PRO 84 HB2 PRO 84 -8.904 -0.796 -12.968 670 1HG PRO 84 HG2 PRO 84 -7.041 -2.298 -11.530 671 2HG PRO 84 HG3 PRO 84 -6.948 -1.900 -13.250 672 1HD PRO 84 HD2 PRO 84 -5.561 -0.636 -10.939 673 2HD PRO 84 HD3 PRO 84 -4.986 -0.896 -12.600 674 H SER 85 HN SER 85 -10.028 1.541 -10.989 675 HA SER 85 HA SER 85 -8.858 3.088 -8.912 676 1HB SER 85 HB3 SER 85 -11.706 2.078 -9.100 677 2HB SER 85 HB2 SER 85 -11.125 3.453 -8.160 678 HG SER 85 HG SER 85 -10.995 4.649 -9.919 679 H PHE 86 HN PHE 86 -7.859 2.289 -7.308 680 HA PHE 86 HA PHE 86 -8.632 -0.270 -6.117 681 1HB PHE 86 HB3 PHE 86 -6.392 -0.430 -6.709 682 2HB PHE 86 HB2 PHE 86 -6.084 1.272 -6.402 683 HD1 PHE 86 HD1 PHE 86 -7.082 -1.736 -4.393 684 HD2 PHE 86 HD2 PHE 86 -4.659 1.729 -4.752 685 HE1 PHE 86 HE1 PHE 86 -5.989 -2.270 -2.251 686 HE2 PHE 86 HE2 PHE 86 -3.567 1.206 -2.624 687 HZ PHE 86 HZ PHE 86 -4.229 -0.778 -1.373 688 H ARG 87 HN ARG 87 -8.908 -0.411 -3.864 689 HA ARG 87 HA ARG 87 -8.924 2.012 -2.279 690 1HB ARG 87 HB2 ARG 87 -11.392 0.389 -2.923 691 2HB ARG 87 HB3 ARG 87 -11.298 1.400 -1.490 692 1HG ARG 87 HG3 ARG 87 -12.121 3.024 -2.763 693 2HG ARG 87 HG2 ARG 87 -10.528 3.093 -3.518 694 1HD ARG 87 HD2 ARG 87 -12.315 2.960 -5.178 695 2HD ARG 87 HD3 ARG 87 -11.248 1.558 -5.250 696 HE ARG 87 HE ARG 87 -13.367 0.873 -3.591 697 1HH1 ARG 87 HH12 ARG 87 -14.081 2.370 -6.761 698 2HH1 ARG 87 HH11 ARG 87 -13.750 0.846 -7.531 699 1HH2 ARG 87 HH21 ARG 87 -15.153 -0.302 -4.341 700 2HH2 ARG 87 HH22 ARG 87 -15.573 -0.273 -6.031 701 H ILE 88 HN ILE 88 -9.074 1.519 0.019 702 HA ILE 88 HA ILE 88 -8.760 -1.330 0.644 703 HB ILE 88 HB ILE 88 -7.095 -0.527 2.474 704 1HG1 ILE 88 HG12 ILE 88 -6.712 1.604 0.357 705 2HG1 ILE 88 HG13 ILE 88 -7.253 1.870 2.014 706 1HG2 ILE 88 HG21 ILE 88 -6.239 -2.092 1.082 707 2HG2 ILE 88 HG22 ILE 88 -6.658 -1.193 -0.375 708 3HG2 ILE 88 HG23 ILE 88 -5.259 -0.713 0.585 709 1HD1 ILE 88 HD11 ILE 88 -5.151 1.278 2.899 710 2HD1 ILE 88 HD12 ILE 88 -4.595 0.647 1.345 711 3HD1 ILE 88 HD13 ILE 88 -4.844 2.382 1.557 712 H LYS 89 HN LYS 89 -9.657 -2.044 2.521 713 HA LYS 89 HA LYS 89 -10.840 -0.011 4.300 714 1HB LYS 89 HB2 LYS 89 -12.340 -2.264 2.964 715 2HB LYS 89 HB3 LYS 89 -12.939 -1.440 4.393 716 1HG LYS 89 HG3 LYS 89 -12.241 0.478 2.379 717 2HG LYS 89 HG2 LYS 89 -13.328 -0.747 1.713 718 1HD LYS 89 HD2 LYS 89 -14.651 1.052 2.588 719 2HD LYS 89 HD3 LYS 89 -14.851 -0.353 3.635 720 1HE LYS 89 HE2 LYS 89 -13.312 0.564 5.243 721 2HE LYS 89 HE3 LYS 89 -12.924 1.907 4.167 722 1HZ LYS 89 HZ1 LYS 89 -14.680 2.116 6.105 723 2HZ LYS 89 HZ2 LYS 89 -15.731 1.557 4.904 724 3HZ LYS 89 HZ3 LYS 89 -14.838 2.970 4.656 725 HA PRO 90 HA PRO 90 -9.378 -2.945 7.317 726 1HB PRO 90 HB3 PRO 90 -10.472 -1.796 9.504 727 2HB PRO 90 HB2 PRO 90 -9.073 -1.110 8.682 728 1HG PRO 90 HG2 PRO 90 -11.918 -0.270 8.595 729 2HG PRO 90 HG3 PRO 90 -10.456 0.723 8.522 730 1HD PRO 90 HD3 PRO 90 -12.021 0.001 6.347 731 2HD PRO 90 HD2 PRO 90 -10.333 0.557 6.263 732 H LYS 91 HN LYS 91 -10.967 -4.379 6.135 733 HA LYS 91 HA LYS 91 -13.578 -4.767 7.210 734 1HB LYS 91 HB2 LYS 91 -12.233 -5.435 4.877 735 2HB LYS 91 HB3 LYS 91 -12.471 -6.969 5.695 736 1HG LYS 91 HG2 LYS 91 -14.638 -4.999 5.009 737 2HG LYS 91 HG3 LYS 91 -14.274 -6.478 4.124 738 1HD LYS 91 HD2 LYS 91 -14.714 -7.734 6.259 739 2HD LYS 91 HD3 LYS 91 -15.329 -6.211 6.923 740 1HE LYS 91 HE3 LYS 91 -16.966 -6.094 5.108 741 2HE LYS 91 HE2 LYS 91 -16.361 -7.611 4.454 742 1HZ LYS 91 HZ1 LYS 91 -17.515 -8.790 5.936 743 2HZ LYS 91 HZ2 LYS 91 -18.407 -7.373 6.195 744 3HZ LYS 91 HZ3 LYS 91 -17.120 -7.764 7.228 745 H ASP 92 HN ASP 92 -12.712 -4.948 9.347 746 HA ASP 92 HA ASP 92 -12.281 -6.038 11.286 747 1HB ASP 92 HB3 ASP 92 -14.329 -7.182 10.622 748 2HB ASP 92 HB2 ASP 92 -13.392 -8.377 9.732 749 H PHE 93 HN PHE 93 -11.587 -8.829 9.224 750 HA PHE 93 HA PHE 93 -9.788 -10.171 8.958 751 1HB PHE 93 HB2 PHE 93 -8.689 -7.879 8.462 752 2HB PHE 93 HB3 PHE 93 -7.974 -8.045 10.062 753 HD1 PHE 93 HD1 PHE 93 -6.846 -10.471 10.450 754 HD2 PHE 93 HD2 PHE 93 -7.503 -8.583 6.698 755 HE1 PHE 93 HE1 PHE 93 -5.070 -11.855 9.449 756 HE2 PHE 93 HE2 PHE 93 -5.740 -9.959 5.690 757 HZ PHE 93 HZ PHE 93 -4.519 -11.598 7.062 758 H GLU 94 HN GLU 94 -8.698 -8.298 11.776 759 HA GLU 94 HA GLU 94 -9.563 -10.063 13.739 760 1HB GLU 94 HB2 GLU 94 -7.512 -11.162 14.448 761 2HB GLU 94 HB3 GLU 94 -7.917 -11.641 12.809 762 1HG GLU 94 HG3 GLU 94 -6.231 -10.084 11.945 763 2HG GLU 94 HG2 GLU 94 -5.803 -9.655 13.607 764 H THR 95 HN THR 95 -7.006 -7.869 12.735 765 HA THR 95 HA THR 95 -7.510 -6.232 15.106 766 HB THR 95 HB THR 95 -4.970 -5.896 15.214 767 HG1 THR 95 HG1 THR 95 -3.718 -7.367 14.231 768 1HG2 THR 95 HG21 THR 95 -6.176 -7.212 16.908 769 2HG2 THR 95 HG22 THR 95 -4.551 -7.820 16.586 770 3HG2 THR 95 HG23 THR 95 -5.952 -8.651 15.913 771 H SER 96 HN SER 96 -8.107 -6.099 12.183 772 HA SER 96 HA SER 96 -6.447 -4.209 10.904 773 1HB SER 96 HB2 SER 96 -8.280 -5.723 9.883 774 2HB SER 96 HB3 SER 96 -9.408 -4.463 10.383 775 HG SER 96 HG SER 96 -7.300 -4.304 8.505 776 H GLU 97 HN GLU 97 -8.943 -3.944 13.281 777 HA GLU 97 HA GLU 97 -9.660 -1.251 12.949 778 1HB GLU 97 HB2 GLU 97 -9.593 -2.970 15.430 779 2HB GLU 97 HB3 GLU 97 -10.307 -1.359 15.372 780 1HG GLU 97 HG2 GLU 97 -11.929 -2.054 13.771 781 2HG GLU 97 HG3 GLU 97 -11.131 -3.613 13.562 782 H TYR 98 HN TYR 98 -6.940 -2.736 14.625 783 HA TYR 98 HA TYR 98 -5.980 -0.268 15.752 784 1HB TYR 98 HB2 TYR 98 -4.523 -2.887 15.267 785 2HB TYR 98 HB3 TYR 98 -3.903 -1.541 16.209 786 HD1 TYR 98 HD1 TYR 98 -5.616 -0.788 18.183 787 HD2 TYR 98 HD2 TYR 98 -5.362 -4.663 16.439 788 HE1 TYR 98 HE1 TYR 98 -6.599 -1.767 20.216 789 HE2 TYR 98 HE2 TYR 98 -6.352 -5.644 18.462 790 HH TYR 98 HH TYR 98 -7.041 -5.283 20.541 791 H VAL 99 HN VAL 99 -5.572 -2.135 12.855 792 HA VAL 99 HA VAL 99 -3.301 -0.849 11.756 793 HB VAL 99 HB VAL 99 -5.565 -2.363 10.428 794 1HG1 VAL 99 HG21 VAL 99 -3.523 -2.743 8.758 795 2HG1 VAL 99 HG22 VAL 99 -4.706 -1.451 8.558 796 3HG1 VAL 99 HG23 VAL 99 -3.144 -1.111 9.304 797 1HG2 VAL 99 HG11 VAL 99 -3.208 -3.174 11.922 798 2HG2 VAL 99 HG12 VAL 99 -4.636 -4.104 11.463 799 3HG2 VAL 99 HG13 VAL 99 -3.303 -3.915 10.323 800 H ARG 100 HN ARG 100 -6.760 -0.400 11.362 801 HA ARG 100 HA ARG 100 -6.999 1.446 9.373 802 1HB ARG 100 HB3 ARG 100 -8.837 0.382 10.644 803 2HB ARG 100 HB2 ARG 100 -8.480 1.429 12.007 804 1HG ARG 100 HG2 ARG 100 -9.083 3.383 10.672 805 2HG ARG 100 HG3 ARG 100 -9.453 2.328 9.306 806 1HD ARG 100 HD2 ARG 100 -11.248 1.293 10.470 807 2HD ARG 100 HD3 ARG 100 -10.775 2.047 11.991 808 HE ARG 100 HE ARG 100 -11.345 4.084 10.187 809 1HH1 ARG 100 HH12 ARG 100 -13.231 1.869 12.393 810 2HH1 ARG 100 HH11 ARG 100 -14.471 1.941 11.170 811 1HH2 ARG 100 HH21 ARG 100 -13.434 5.296 11.191 812 2HH2 ARG 100 HH22 ARG 100 -14.678 4.332 10.458 813 H LYS 101 HN LYS 101 -6.567 2.244 12.824 814 HA LYS 101 HA LYS 101 -6.261 5.033 12.332 815 1HB LYS 101 HB3 LYS 101 -5.854 3.303 14.755 816 2HB LYS 101 HB2 LYS 101 -5.319 4.975 14.758 817 1HG LYS 101 HG3 LYS 101 -7.486 4.781 15.785 818 2HG LYS 101 HG2 LYS 101 -7.594 5.714 14.295 819 1HD LYS 101 HD2 LYS 101 -8.449 3.749 13.123 820 2HD LYS 101 HD3 LYS 101 -8.309 2.800 14.604 821 1HE LYS 101 HE3 LYS 101 -10.113 5.168 14.132 822 2HE LYS 101 HE2 LYS 101 -10.596 3.483 14.309 823 1HZ LYS 101 HZ1 LYS 101 -10.974 4.253 16.401 824 2HZ LYS 101 HZ2 LYS 101 -9.723 5.400 16.349 825 3HZ LYS 101 HZ3 LYS 101 -9.362 3.754 16.586 826 H ALA 102 HN ALA 102 -3.965 2.397 12.888 827 HA ALA 102 HA ALA 102 -1.655 3.968 13.131 828 1HB ALA 102 HB1 ALA 102 -0.783 1.987 13.573 829 2HB ALA 102 HB2 ALA 102 -2.270 1.207 13.023 830 3HB ALA 102 HB3 ALA 102 -0.964 1.522 11.876 831 H TRP 103 HN TRP 103 -3.100 2.485 10.233 832 HA TRP 103 HA TRP 103 -1.021 3.454 8.554 833 1HB TRP 103 HB3 TRP 103 -3.633 2.098 8.125 834 2HB TRP 103 HB2 TRP 103 -2.816 2.844 6.737 835 HD1 TRP 103 HD1 TRP 103 -1.885 0.402 9.629 836 HE1 TRP 103 HE1 TRP 103 -0.180 -1.299 8.711 837 HE3 TRP 103 HE3 TRP 103 -1.432 2.205 4.897 838 HZ2 TRP 103 HZ2 TRP 103 1.216 -1.758 6.291 839 HZ3 TRP 103 HZ3 TRP 103 0.129 1.110 3.353 840 HH2 TRP 103 HH2 TRP 103 1.418 -0.835 4.020 841 H LEU 104 HN LEU 104 -3.905 4.883 9.787 842 HA LEU 104 HA LEU 104 -4.249 6.949 7.854 843 1HB LEU 104 HB2 LEU 104 -5.668 6.127 10.005 844 2HB LEU 104 HB3 LEU 104 -4.828 7.506 10.687 845 HG LEU 104 HG LEU 104 -5.713 8.834 8.703 846 1HD1 LEU 104 HD11 LEU 104 -6.786 7.715 7.127 847 2HD1 LEU 104 HD12 LEU 104 -6.698 6.228 8.080 848 3HD1 LEU 104 HD13 LEU 104 -8.056 7.339 8.290 849 1HD2 LEU 104 HD21 LEU 104 -6.692 9.448 10.684 850 2HD2 LEU 104 HD22 LEU 104 -8.092 8.842 9.796 851 3HD2 LEU 104 HD23 LEU 104 -7.310 7.824 11.009 852 H ARG 105 HN ARG 105 -1.990 6.204 10.110 853 HA ARG 105 HA ARG 105 -1.030 8.889 10.696 854 1HB ARG 105 HB2 ARG 105 0.175 6.189 11.345 855 2HB ARG 105 HB3 ARG 105 0.914 7.721 11.778 856 1HG ARG 105 HG2 ARG 105 -1.882 7.270 12.631 857 2HG ARG 105 HG3 ARG 105 -0.616 6.357 13.453 858 1HD ARG 105 HD3 ARG 105 -1.145 8.463 14.607 859 2HD ARG 105 HD2 ARG 105 0.525 8.407 14.043 860 HE ARG 105 HE ARG 105 -1.056 9.673 12.094 861 1HH1 ARG 105 HH12 ARG 105 -1.199 10.905 15.363 862 2HH1 ARG 105 HH11 ARG 105 0.503 11.254 15.291 863 1HH2 ARG 105 HH22 ARG 105 -1.357 12.401 12.523 864 2HH2 ARG 105 HH21 ARG 105 0.388 12.429 12.401 865 H ASP 106 HN ASP 106 0.074 6.078 8.892 866 HA ASP 106 HA ASP 106 2.312 7.372 7.657 867 1HB ASP 106 HB2 ASP 106 0.893 4.770 7.262 868 2HB ASP 106 HB3 ASP 106 2.209 5.260 6.195 869 H ILE 107 HN ILE 107 -0.436 8.396 7.330 870 HA ILE 107 HA ILE 107 -0.371 8.757 4.431 871 HB ILE 107 HB ILE 107 -2.783 8.082 6.112 872 1HG1 ILE 107 HG13 ILE 107 -1.864 6.996 3.447 873 2HG1 ILE 107 HG12 ILE 107 -1.320 6.325 4.977 874 1HG2 ILE 107 HG21 ILE 107 -2.736 9.280 3.351 875 2HG2 ILE 107 HG22 ILE 107 -4.155 8.584 4.128 876 3HG2 ILE 107 HG23 ILE 107 -3.397 10.022 4.809 877 1HD1 ILE 107 HD11 ILE 107 -4.007 6.294 5.297 878 2HD1 ILE 107 HD12 ILE 107 -3.844 6.000 3.568 879 3HD1 ILE 107 HD13 ILE 107 -3.033 4.943 4.721 880 H ALA 108 HN ALA 108 -1.662 9.841 7.519 881 HA ALA 108 HA ALA 108 -2.119 12.549 6.793 882 1HB ALA 108 HB1 ALA 108 -3.197 11.762 8.760 883 2HB ALA 108 HB2 ALA 108 -1.664 11.225 9.463 884 3HB ALA 108 HB3 ALA 108 -2.004 12.949 9.291 885 H GLU 109 HN GLU 109 0.652 10.728 7.333 886 HA GLU 109 HA GLU 109 2.453 12.849 6.770 887 1HB GLU 109 HB3 GLU 109 3.833 12.499 8.863 888 2HB GLU 109 HB2 GLU 109 2.330 13.381 9.094 889 1HG GLU 109 HG2 GLU 109 1.275 11.297 9.866 890 2HG GLU 109 HG3 GLU 109 2.838 10.492 9.750 891 H GLU 110 HN GLU 110 2.471 11.280 5.094 892 HA GLU 110 HA GLU 110 3.333 8.624 5.443 893 1HB GLU 110 HB2 GLU 110 3.607 8.648 2.971 894 2HB GLU 110 HB3 GLU 110 2.033 9.208 3.522 895 1HG GLU 110 HG2 GLU 110 2.636 11.493 3.109 896 2HG GLU 110 HG3 GLU 110 4.294 11.036 2.728 897 H GLN 111 HN GLN 111 5.163 8.690 3.171 898 HA GLN 111 HA GLN 111 7.590 8.612 4.557 899 1HB GLN 111 HB3 GLN 111 8.559 8.256 2.246 900 2HB GLN 111 HB2 GLN 111 7.348 7.094 2.768 901 1HG GLN 111 HG2 GLN 111 5.666 8.187 1.431 902 2HG GLN 111 HG3 GLN 111 6.815 9.437 0.956 903 1HE2 GLN 111 HE21 GLN 111 5.293 6.922 -0.204 904 2HE2 GLN 111 HE22 GLN 111 6.496 6.058 -1.071 905 H GLU 112 HN GLU 112 7.623 10.754 5.402 906 HA GLU 112 HA GLU 112 7.954 13.045 3.741 907 1HB GLU 112 HB2 GLU 112 8.583 12.449 6.619 908 2HB GLU 112 HB3 GLU 112 9.136 13.950 5.891 909 1HG GLU 112 HG3 GLU 112 6.259 13.070 6.018 910 2HG GLU 112 HG2 GLU 112 7.030 14.168 7.158 911 H LYS 113 HN LYS 113 9.921 10.435 4.658 912 HA LYS 113 HA LYS 113 12.498 11.598 4.256 913 1HB LYS 113 HB3 LYS 113 11.499 8.755 4.441 914 2HB LYS 113 HB2 LYS 113 13.184 9.125 4.091 915 1HG LYS 113 HG3 LYS 113 12.888 8.650 6.437 916 2HG LYS 113 HG2 LYS 113 13.357 10.334 6.211 917 1HD LYS 113 HD2 LYS 113 10.924 10.926 6.371 918 2HD LYS 113 HD3 LYS 113 10.623 9.259 6.862 919 1HE LYS 113 HE2 LYS 113 12.541 11.110 8.256 920 2HE LYS 113 HE3 LYS 113 10.868 10.879 8.756 921 1HZ LYS 113 HZ1 LYS 113 11.451 8.432 8.912 922 2HZ LYS 113 HZ2 LYS 113 12.121 9.449 10.089 923 3HZ LYS 113 HZ3 LYS 113 13.079 8.912 8.797 924 H TYR 114 HN TYR 114 10.032 10.967 2.170 925 HA TYR 114 HA TYR 114 11.260 9.798 -0.072 926 1HB TYR 114 HB3 TYR 114 8.846 9.974 0.098 927 2HB TYR 114 HB2 TYR 114 8.937 11.731 0.134 928 HD1 TYR 114 HD1 TYR 114 9.792 8.825 -2.038 929 HD2 TYR 114 HD2 TYR 114 8.661 12.917 -1.820 930 HE1 TYR 114 HE1 TYR 114 9.561 8.884 -4.483 931 HE2 TYR 114 HE2 TYR 114 8.429 12.990 -4.264 932 HH TYR 114 HH TYR 114 9.399 10.260 -6.265 933 H ALA 115 HN ALA 115 11.338 12.949 1.280 934 HA ALA 115 HA ALA 115 13.367 13.785 -0.632 935 1HB ALA 115 HB1 ALA 115 11.425 14.805 -1.604 936 2HB ALA 115 HB2 ALA 115 10.863 15.363 -0.031 937 3HB ALA 115 HB3 ALA 115 12.306 16.073 -0.751 938 H ALA 116 HN ALA 116 14.068 12.858 1.657 939 HA ALA 116 HA ALA 116 13.910 14.579 3.910 940 1HB ALA 116 HB1 ALA 116 14.415 12.603 4.798 941 2HB ALA 116 HB2 ALA 116 15.034 11.991 3.257 942 3HB ALA 116 HB3 ALA 116 16.090 12.920 4.327 943 H GLU 117 HN GLU 117 14.655 16.348 2.137 944 HA GLU 117 HA GLU 117 17.537 16.768 2.548 945 1HB GLU 117 HB3 GLU 117 15.750 18.050 0.469 946 2HB GLU 117 HB2 GLU 117 17.472 18.334 0.676 947 1HG GLU 117 HG3 GLU 117 16.129 15.809 -0.244 948 2HG GLU 117 HG2 GLU 117 17.193 16.871 -1.166 949 H ARG 118 HN ARG 118 16.895 17.394 4.693 950 HA ARG 118 HA ARG 118 15.258 19.694 5.107 951 1HB ARG 118 HB3 ARG 118 15.883 17.689 6.672 952 2HB ARG 118 HB2 ARG 118 17.269 18.682 7.079 953 1HG ARG 118 HG3 ARG 118 14.475 19.751 7.292 954 2HG ARG 118 HG2 ARG 118 15.219 18.815 8.591 955 1HD ARG 118 HD3 ARG 118 17.106 20.432 8.593 956 2HD ARG 118 HD2 ARG 118 16.220 21.402 7.418 957 HE ARG 118 HE ARG 118 14.495 21.024 9.547 958 1HH1 ARG 118 HH12 ARG 118 17.905 22.142 10.031 959 2HH1 ARG 118 HH11 ARG 118 17.327 23.613 9.305 960 1HH2 ARG 118 HH22 ARG 118 15.307 22.583 11.967 961 2HH2 ARG 118 HH21 ARG 118 14.593 23.710 10.850 962 H ASP 119 HN ASP 119 18.742 19.067 5.148 963 HA ASP 119 HA ASP 119 19.391 21.684 4.242 964 1HB ASP 119 HB3 ASP 119 18.866 22.058 6.714 965 2HB ASP 119 HB2 ASP 119 20.268 21.055 7.064 Start of MODEL 12 1 1H MET 1 HT1 MET 1 23.001 -12.768 0.162 2 2H MET 1 HT2 MET 1 23.289 -11.583 1.364 3 3H MET 1 HT3 MET 1 24.424 -11.785 0.086 4 HA MET 1 HA MET 1 22.879 -9.854 -0.058 5 1HB MET 1 HB2 MET 1 24.206 -10.753 -1.920 6 2HB MET 1 HB3 MET 1 22.930 -11.909 -2.271 7 1HG MET 1 HG3 MET 1 21.389 -10.047 -2.701 8 2HG MET 1 HG2 MET 1 22.725 -8.918 -2.483 9 1HE MET 1 HE1 MET 1 25.137 -10.187 -5.323 10 2HE MET 1 HE2 MET 1 24.786 -8.696 -4.455 11 3HE MET 1 HE3 MET 1 25.073 -10.193 -3.562 12 H GLY 2 HN GLY 2 20.929 -9.317 0.538 13 1HA GLY 2 HA2 GLY 2 18.724 -11.200 -0.035 14 2HA GLY 2 HA1 GLY 2 18.782 -10.194 1.405 15 H ASP 3 HN ASP 3 17.302 -8.600 1.232 16 HA ASP 3 HA ASP 3 17.400 -6.893 -1.137 17 1HB ASP 3 HB3 ASP 3 15.588 -8.700 -1.444 18 2HB ASP 3 HB2 ASP 3 14.695 -7.826 -0.198 19 H THR 4 HN THR 4 18.179 -5.250 0.074 20 HA THR 4 HA THR 4 16.475 -4.297 2.277 21 HB THR 4 HB THR 4 18.581 -2.960 2.865 22 HG1 THR 4 HG1 THR 4 19.689 -3.200 0.899 23 1HG2 THR 4 HG21 THR 4 19.604 -5.616 3.144 24 2HG2 THR 4 HG22 THR 4 17.881 -5.576 3.508 25 3HG2 THR 4 HG23 THR 4 18.993 -4.506 4.367 26 H GLY 5 HN GLY 5 17.114 -3.845 -0.922 27 1HA GLY 5 HA1 GLY 5 16.960 -0.934 -0.871 28 2HA GLY 5 HA2 GLY 5 17.227 -1.933 -2.290 29 H LYS 6 HN LYS 6 15.058 -3.668 -2.135 30 HA LYS 6 HA LYS 6 12.939 -1.765 -2.784 31 1HB LYS 6 HB2 LYS 6 13.263 -4.669 -3.505 32 2HB LYS 6 HB3 LYS 6 11.894 -3.669 -3.972 33 1HG LYS 6 HG3 LYS 6 13.055 -3.384 -5.861 34 2HG LYS 6 HG2 LYS 6 13.938 -2.176 -4.925 35 1HD LYS 6 HD3 LYS 6 15.725 -3.385 -5.680 36 2HD LYS 6 HD2 LYS 6 15.353 -4.317 -4.230 37 1HE LYS 6 HE2 LYS 6 14.436 -4.996 -7.028 38 2HE LYS 6 HE3 LYS 6 15.711 -5.810 -6.126 39 1HZ LYS 6 HZ1 LYS 6 12.868 -5.680 -5.295 40 2HZ LYS 6 HZ2 LYS 6 14.107 -6.532 -4.508 41 3HZ LYS 6 HZ3 LYS 6 13.595 -7.003 -6.057 42 H LEU 7 HN LEU 7 13.356 -4.841 -1.037 43 HA LEU 7 HA LEU 7 10.669 -4.630 0.034 44 1HB LEU 7 HB3 LEU 7 12.826 -6.681 0.487 45 2HB LEU 7 HB2 LEU 7 11.172 -6.806 1.054 46 HG LEU 7 HG LEU 7 11.920 -6.601 -1.859 47 1HD1 LEU 7 HD21 LEU 7 11.973 -8.859 -0.017 48 2HD1 LEU 7 HD22 LEU 7 11.004 -9.148 -1.457 49 3HD1 LEU 7 HD23 LEU 7 12.697 -8.683 -1.613 50 1HD2 LEU 7 HD11 LEU 7 9.745 -6.438 -2.227 51 2HD2 LEU 7 HD12 LEU 7 9.455 -7.922 -1.313 52 3HD2 LEU 7 HD13 LEU 7 9.472 -6.354 -0.490 53 H GLY 8 HN GLY 8 12.861 -2.701 0.872 54 1HA GLY 8 HA2 GLY 8 13.442 -3.318 3.613 55 2HA GLY 8 HA1 GLY 8 13.649 -1.751 2.831 56 H ARG 9 HN ARG 9 11.819 -3.565 4.984 57 HA ARG 9 HA ARG 9 9.284 -2.342 4.707 58 1HB ARG 9 HB2 ARG 9 10.567 -3.823 7.001 59 2HB ARG 9 HB3 ARG 9 8.884 -3.316 6.979 60 1HG ARG 9 HG3 ARG 9 8.294 -4.847 5.396 61 2HG ARG 9 HG2 ARG 9 9.929 -4.952 4.733 62 1HD ARG 9 HD3 ARG 9 9.372 -6.992 5.933 63 2HD ARG 9 HD2 ARG 9 10.679 -6.128 6.742 64 HE ARG 9 HE ARG 9 8.248 -5.356 7.898 65 1HH1 ARG 9 HH12 ARG 9 10.831 -7.727 8.871 66 2HH1 ARG 9 HH11 ARG 9 9.639 -8.960 8.601 67 1HH2 ARG 9 HH22 ARG 9 8.510 -6.525 10.559 68 2HH2 ARG 9 HH21 ARG 9 7.427 -7.675 9.866 69 H ILE 10 HN ILE 10 10.892 -0.238 4.604 70 HA ILE 10 HA ILE 10 11.370 1.036 7.095 71 HB ILE 10 HB ILE 10 12.742 1.558 5.226 72 1HG1 ILE 10 HG13 ILE 10 12.422 4.100 5.101 73 2HG1 ILE 10 HG12 ILE 10 11.003 3.858 6.112 74 1HG2 ILE 10 HG21 ILE 10 10.452 1.415 3.699 75 2HG2 ILE 10 HG22 ILE 10 10.885 3.126 3.632 76 3HG2 ILE 10 HG23 ILE 10 12.056 1.898 3.133 77 1HD1 ILE 10 HD11 ILE 10 12.699 4.460 7.589 78 2HD1 ILE 10 HD12 ILE 10 12.566 2.714 7.764 79 3HD1 ILE 10 HD13 ILE 10 13.881 3.395 6.817 80 H ILE 11 HN ILE 11 8.603 1.030 4.911 81 HA ILE 11 HA ILE 11 7.452 3.273 6.399 82 HB ILE 11 HB ILE 11 6.411 1.977 3.864 83 1HG1 ILE 11 HG13 ILE 11 7.953 4.561 4.273 84 2HG1 ILE 11 HG12 ILE 11 8.597 3.100 3.540 85 1HG2 ILE 11 HG21 ILE 11 4.534 3.093 4.322 86 2HG2 ILE 11 HG22 ILE 11 5.287 3.902 5.701 87 3HG2 ILE 11 HG23 ILE 11 5.451 4.581 4.089 88 1HD1 ILE 11 HD11 ILE 11 6.280 3.775 2.103 89 2HD1 ILE 11 HD12 ILE 11 7.206 5.258 2.331 90 3HD1 ILE 11 HD13 ILE 11 7.964 3.860 1.574 91 H ARG 12 HN ARG 12 5.458 0.807 4.888 92 HA ARG 12 HA ARG 12 4.732 -0.376 7.445 93 1HB ARG 12 HB2 ARG 12 2.930 1.428 5.881 94 2HB ARG 12 HB3 ARG 12 2.234 0.041 6.704 95 1HG ARG 12 HG3 ARG 12 2.734 0.862 8.798 96 2HG ARG 12 HG2 ARG 12 3.985 1.952 8.189 97 1HD ARG 12 HD2 ARG 12 2.178 3.226 7.014 98 2HD ARG 12 HD3 ARG 12 1.001 2.191 7.816 99 HE ARG 12 HE ARG 12 1.133 3.655 9.541 100 1HH1 ARG 12 HH12 ARG 12 4.155 4.817 7.963 101 2HH1 ARG 12 HH11 ARG 12 4.906 3.590 8.939 102 1HH2 ARG 12 HH22 ARG 12 3.107 4.586 11.518 103 2HH2 ARG 12 HH21 ARG 12 2.971 5.965 10.461 104 H HIS 13 HN HIS 13 3.264 -2.208 7.180 105 HA HIS 13 HA HIS 13 2.764 -3.202 4.514 106 1HB HIS 13 HB2 HIS 13 4.101 -5.182 4.615 107 2HB HIS 13 HB3 HIS 13 5.167 -3.837 4.957 108 HD1 HIS 13 HD1 HIS 13 5.444 -3.484 7.766 109 HD2 HIS 13 HD2 HIS 13 4.491 -7.240 6.271 110 HE1 HIS 13 HE1 HIS 13 5.958 -5.118 9.627 111 HE2 HIS 13 HE2 HIS 13 5.415 -7.390 8.683 112 H ASP 14 HN ASP 14 0.784 -4.043 4.608 113 HA ASP 14 HA ASP 14 0.078 -5.783 6.817 114 1HB ASP 14 HB2 ASP 14 -1.097 -3.076 6.462 115 2HB ASP 14 HB3 ASP 14 -2.201 -4.392 6.863 116 H ALA 15 HN ALA 15 -1.932 -6.954 6.472 117 HA ALA 15 HA ALA 15 -2.289 -7.465 3.615 118 1HB ALA 15 HB1 ALA 15 -3.738 -9.420 4.703 119 2HB ALA 15 HB2 ALA 15 -1.982 -9.517 4.551 120 3HB ALA 15 HB3 ALA 15 -2.706 -9.054 6.087 121 H PHE 16 HN PHE 16 -3.886 -6.474 2.576 122 HA PHE 16 HA PHE 16 -6.274 -5.687 4.114 123 1HB PHE 16 HB3 PHE 16 -5.022 -4.518 1.630 124 2HB PHE 16 HB2 PHE 16 -6.679 -4.154 2.091 125 HD1 PHE 16 HD1 PHE 16 -4.784 -1.995 1.809 126 HD2 PHE 16 HD2 PHE 16 -5.557 -4.506 5.146 127 HE1 PHE 16 HE1 PHE 16 -3.979 -0.218 3.310 128 HE2 PHE 16 HE2 PHE 16 -4.765 -2.724 6.681 129 HZ PHE 16 HZ PHE 16 -3.967 -0.579 5.755 130 H GLN 17 HN GLN 17 -8.278 -6.263 3.474 131 HA GLN 17 HA GLN 17 -8.496 -8.044 1.145 132 1HB GLN 17 HB2 GLN 17 -8.558 -9.069 3.570 133 2HB GLN 17 HB3 GLN 17 -10.180 -8.407 3.616 134 1HG GLN 17 HG2 GLN 17 -9.231 -10.298 1.491 135 2HG GLN 17 HG3 GLN 17 -9.986 -10.819 2.999 136 1HE2 GLN 17 HE21 GLN 17 -10.619 -10.485 -0.084 137 2HE2 GLN 17 HE22 GLN 17 -12.332 -10.331 0.056 138 H VAL 18 HN VAL 18 -9.154 -6.172 0.005 139 HA VAL 18 HA VAL 18 -11.826 -5.219 0.776 140 HB VAL 18 HB VAL 18 -10.450 -3.392 -0.961 141 1HG1 VAL 18 HG21 VAL 18 -12.051 -3.456 1.494 142 2HG1 VAL 18 HG22 VAL 18 -10.880 -2.137 1.428 143 3HG1 VAL 18 HG23 VAL 18 -12.083 -2.314 0.150 144 1HG2 VAL 18 HG11 VAL 18 -9.039 -2.871 1.379 145 2HG2 VAL 18 HG12 VAL 18 -8.830 -4.597 1.100 146 3HG2 VAL 18 HG13 VAL 18 -8.378 -3.443 -0.152 147 H TRP 19 HN TRP 19 -12.334 -3.682 -1.399 148 HA TRP 19 HA TRP 19 -12.959 -5.700 -3.405 149 1HB TRP 19 HB2 TRP 19 -14.029 -2.892 -3.029 150 2HB TRP 19 HB3 TRP 19 -14.654 -4.097 -4.150 151 HD1 TRP 19 HD1 TRP 19 -16.093 -6.140 -3.060 152 HE1 TRP 19 HE1 TRP 19 -17.340 -6.322 -0.815 153 HE3 TRP 19 HE3 TRP 19 -13.907 -2.254 -0.566 154 HZ2 TRP 19 HZ2 TRP 19 -17.377 -5.039 1.675 155 HZ3 TRP 19 HZ3 TRP 19 -14.590 -1.815 1.773 156 HH2 TRP 19 HH2 TRP 19 -16.304 -3.185 2.863 157 H GLU 20 HN GLU 20 -10.969 -5.779 -4.483 158 HA GLU 20 HA GLU 20 -10.249 -3.336 -5.972 159 1HB GLU 20 HB3 GLU 20 -8.314 -3.714 -4.831 160 2HB GLU 20 HB2 GLU 20 -8.616 -5.431 -4.652 161 1HG GLU 20 HG2 GLU 20 -6.709 -5.247 -6.008 162 2HG GLU 20 HG3 GLU 20 -8.030 -5.681 -7.085 163 H GLY 21 HN GLY 21 -11.027 -3.445 -7.886 164 1HA GLY 21 HA2 GLY 21 -10.460 -4.652 -10.083 165 2HA GLY 21 HA1 GLY 21 -11.256 -6.013 -9.297 166 H ASP 22 HN ASP 22 -13.067 -6.214 -10.459 167 HA ASP 22 HA ASP 22 -14.645 -3.859 -11.107 168 1HB ASP 22 HB3 ASP 22 -14.267 -6.003 -12.609 169 2HB ASP 22 HB2 ASP 22 -15.599 -6.649 -11.653 170 H GLU 23 HN GLU 23 -14.303 -4.639 -8.361 171 HA GLU 23 HA GLU 23 -15.759 -4.060 -6.637 172 1HB GLU 23 HB3 GLU 23 -17.730 -4.040 -8.071 173 2HB GLU 23 HB2 GLU 23 -17.803 -5.791 -7.973 174 1HG GLU 23 HG2 GLU 23 -18.145 -5.650 -5.545 175 2HG GLU 23 HG3 GLU 23 -18.065 -3.887 -5.639 176 HA PRO 24 HA PRO 24 -16.148 -8.888 -5.479 177 1HB PRO 24 HB3 PRO 24 -13.968 -9.707 -7.342 178 2HB PRO 24 HB2 PRO 24 -15.338 -10.646 -6.727 179 1HG PRO 24 HG2 PRO 24 -15.367 -9.661 -9.192 180 2HG PRO 24 HG3 PRO 24 -16.845 -9.654 -8.187 181 1HD PRO 24 HD2 PRO 24 -15.039 -7.396 -8.918 182 2HD PRO 24 HD3 PRO 24 -16.793 -7.403 -8.642 183 HA PRO 25 HA PRO 25 -12.835 -7.560 -2.877 184 1HB PRO 25 HB3 PRO 25 -13.415 -9.296 -0.851 185 2HB PRO 25 HB2 PRO 25 -14.275 -7.776 -1.123 186 1HG PRO 25 HG2 PRO 25 -15.079 -10.561 -1.793 187 2HG PRO 25 HG3 PRO 25 -16.074 -9.203 -1.259 188 1HD PRO 25 HD3 PRO 25 -15.918 -10.046 -3.856 189 2HD PRO 25 HD2 PRO 25 -16.319 -8.383 -3.378 190 H LYS 26 HN LYS 26 -10.774 -8.228 -2.473 191 HA LYS 26 HA LYS 26 -10.100 -11.070 -2.571 192 1HB LYS 26 HB3 LYS 26 -8.852 -9.033 -4.422 193 2HB LYS 26 HB2 LYS 26 -8.251 -10.668 -4.193 194 1HG LYS 26 HG2 LYS 26 -10.364 -11.562 -5.082 195 2HG LYS 26 HG3 LYS 26 -10.964 -9.918 -5.282 196 1HD LYS 26 HD2 LYS 26 -9.096 -9.437 -6.804 197 2HD LYS 26 HD3 LYS 26 -8.590 -11.121 -6.716 198 1HE LYS 26 HE2 LYS 26 -11.171 -9.981 -7.786 199 2HE LYS 26 HE3 LYS 26 -9.912 -10.785 -8.724 200 1HZ LYS 26 HZ1 LYS 26 -11.426 -12.476 -8.484 201 2HZ LYS 26 HZ2 LYS 26 -11.979 -11.920 -6.980 202 3HZ LYS 26 HZ3 LYS 26 -10.503 -12.747 -7.082 203 H LEU 27 HN LEU 27 -8.100 -11.566 -1.658 204 HA LEU 27 HA LEU 27 -7.238 -9.700 0.412 205 1HB LEU 27 HB3 LEU 27 -7.736 -12.171 0.727 206 2HB LEU 27 HB2 LEU 27 -6.265 -12.510 -0.166 207 HG LEU 27 HG LEU 27 -6.194 -12.616 2.393 208 1HD1 LEU 27 HD21 LEU 27 -3.951 -12.061 2.466 209 2HD1 LEU 27 HD22 LEU 27 -4.214 -12.449 0.760 210 3HD1 LEU 27 HD23 LEU 27 -4.130 -10.768 1.267 211 1HD2 LEU 27 HD11 LEU 27 -7.384 -10.527 2.789 212 2HD2 LEU 27 HD12 LEU 27 -5.813 -10.597 3.582 213 3HD2 LEU 27 HD13 LEU 27 -6.016 -9.637 2.113 214 H ARG 28 HN ARG 28 -5.268 -8.633 0.465 215 HA ARG 28 HA ARG 28 -3.180 -9.407 -1.390 216 1HB ARG 28 HB3 ARG 28 -3.034 -6.968 -2.198 217 2HB ARG 28 HB2 ARG 28 -4.214 -8.039 -2.941 218 1HG ARG 28 HG3 ARG 28 -5.923 -7.095 -1.407 219 2HG ARG 28 HG2 ARG 28 -4.713 -5.914 -0.885 220 1HD ARG 28 HD3 ARG 28 -6.260 -5.132 -2.704 221 2HD ARG 28 HD2 ARG 28 -4.543 -5.015 -3.093 222 HE ARG 28 HE ARG 28 -4.925 -6.421 -4.833 223 1HH1 ARG 28 HH12 ARG 28 -7.775 -7.529 -2.626 224 2HH1 ARG 28 HH11 ARG 28 -8.465 -6.728 -4.012 225 1HH2 ARG 28 HH22 ARG 28 -6.296 -7.719 -6.230 226 2HH2 ARG 28 HH21 ARG 28 -6.658 -9.121 -5.273 227 H TYR 29 HN TYR 29 -1.202 -8.947 -0.716 228 HA TYR 29 HA TYR 29 -0.939 -7.775 1.919 229 1HB TYR 29 HB2 TYR 29 1.098 -9.038 0.051 230 2HB TYR 29 HB3 TYR 29 1.495 -8.400 1.639 231 HD1 TYR 29 HD1 TYR 29 -1.148 -10.742 0.280 232 HD2 TYR 29 HD2 TYR 29 1.888 -10.017 3.183 233 HE1 TYR 29 HE1 TYR 29 -1.595 -12.949 1.304 234 HE2 TYR 29 HE2 TYR 29 1.436 -12.199 4.215 235 HH TYR 29 HH TYR 29 -0.876 -14.464 2.802 236 H VAL 30 HN VAL 30 -1.288 -5.548 1.720 237 HA VAL 30 HA VAL 30 0.169 -4.091 -0.335 238 HB VAL 30 HB VAL 30 -1.660 -2.945 1.780 239 1HG1 VAL 30 HG21 VAL 30 -0.314 -1.874 -0.647 240 2HG1 VAL 30 HG22 VAL 30 -1.861 -1.195 -0.124 241 3HG1 VAL 30 HG23 VAL 30 -0.467 -1.173 0.963 242 1HG2 VAL 30 HG11 VAL 30 -3.421 -3.666 0.640 243 2HG2 VAL 30 HG12 VAL 30 -2.761 -3.030 -0.879 244 3HG2 VAL 30 HG13 VAL 30 -2.328 -4.649 -0.328 245 H PHE 31 HN PHE 31 2.128 -3.314 -0.018 246 HA PHE 31 HA PHE 31 2.843 -2.306 2.643 247 1HB PHE 31 HB2 PHE 31 5.216 -3.313 1.365 248 2HB PHE 31 HB3 PHE 31 4.587 -3.693 2.959 249 HD1 PHE 31 HD1 PHE 31 4.282 -4.640 -0.628 250 HD2 PHE 31 HD2 PHE 31 3.873 -5.846 3.433 251 HE1 PHE 31 HE1 PHE 31 3.918 -6.962 -1.353 252 HE2 PHE 31 HE2 PHE 31 3.488 -8.166 2.715 253 HZ PHE 31 HZ PHE 31 3.499 -8.721 0.315 254 H LEU 32 HN LEU 32 4.083 -0.496 2.635 255 HA LEU 32 HA LEU 32 4.471 0.708 -0.014 256 1HB LEU 32 HB2 LEU 32 4.704 2.327 2.481 257 2HB LEU 32 HB3 LEU 32 4.145 2.793 0.891 258 HG LEU 32 HG LEU 32 2.544 1.181 2.889 259 1HD1 LEU 32 HD11 LEU 32 1.423 3.732 2.178 260 2HD1 LEU 32 HD12 LEU 32 1.846 3.095 3.763 261 3HD1 LEU 32 HD13 LEU 32 3.062 3.936 2.791 262 1HD2 LEU 32 HD21 LEU 32 1.083 0.759 1.267 263 2HD2 LEU 32 HD22 LEU 32 1.051 2.460 0.815 264 3HD2 LEU 32 HD23 LEU 32 2.262 1.394 0.118 265 H PHE 33 HN PHE 33 6.510 0.853 -0.725 266 HA PHE 33 HA PHE 33 8.632 0.792 1.312 267 1HB PHE 33 HB3 PHE 33 8.606 -0.667 -1.336 268 2HB PHE 33 HB2 PHE 33 10.012 -0.549 -0.282 269 HD1 PHE 33 HD1 PHE 33 8.786 -0.929 2.362 270 HD2 PHE 33 HD2 PHE 33 8.073 -2.874 -1.357 271 HE1 PHE 33 HE1 PHE 33 8.067 -2.963 3.560 272 HE2 PHE 33 HE2 PHE 33 7.334 -4.889 -0.178 273 HZ PHE 33 HZ PHE 33 7.338 -4.946 2.286 274 H ARG 34 HN ARG 34 10.133 2.303 1.189 275 HA ARG 34 HA ARG 34 11.361 4.076 0.514 276 1HB ARG 34 HB2 ARG 34 10.774 2.993 -2.242 277 2HB ARG 34 HB3 ARG 34 11.962 4.234 -1.872 278 1HG ARG 34 HG3 ARG 34 13.195 2.633 -0.514 279 2HG ARG 34 HG2 ARG 34 12.013 1.390 -0.920 280 1HD ARG 34 HD2 ARG 34 14.011 1.243 -2.337 281 2HD ARG 34 HD3 ARG 34 12.563 1.593 -3.279 282 HE ARG 34 HE ARG 34 13.814 4.008 -2.584 283 1HH1 ARG 34 HH12 ARG 34 15.328 1.468 -5.015 284 2HH1 ARG 34 HH11 ARG 34 13.877 2.057 -5.787 285 1HH2 ARG 34 HH21 ARG 34 15.695 4.865 -4.154 286 2HH2 ARG 34 HH22 ARG 34 14.767 4.672 -5.620 287 H ASN 35 HN ASN 35 9.837 4.436 -2.522 288 HA ASN 35 HA ASN 35 7.969 6.411 -1.475 289 1HB ASN 35 HB2 ASN 35 8.669 7.907 -3.446 290 2HB ASN 35 HB3 ASN 35 9.753 7.829 -2.063 291 1HD2 ASN 35 HD21 ASN 35 11.772 7.666 -2.523 292 2HD2 ASN 35 HD22 ASN 35 12.409 7.188 -4.040 293 H LYS 36 HN LYS 36 7.110 3.959 -2.159 294 HA LYS 36 HA LYS 36 5.343 4.485 -4.327 295 1HB LYS 36 HB3 LYS 36 5.942 2.679 -5.780 296 2HB LYS 36 HB2 LYS 36 7.379 3.653 -5.542 297 1HG LYS 36 HG3 LYS 36 8.298 2.044 -4.026 298 2HG LYS 36 HG2 LYS 36 6.794 1.116 -4.042 299 1HD LYS 36 HD3 LYS 36 8.387 0.039 -5.469 300 2HD LYS 36 HD2 LYS 36 7.101 0.728 -6.455 301 1HE LYS 36 HE2 LYS 36 8.538 2.627 -7.009 302 2HE LYS 36 HE3 LYS 36 9.801 1.967 -5.969 303 1HZ LYS 36 HZ1 LYS 36 9.837 1.515 -8.503 304 2HZ LYS 36 HZ2 LYS 36 8.751 0.276 -8.102 305 3HZ LYS 36 HZ3 LYS 36 10.294 0.322 -7.397 306 H ILE 37 HN ILE 37 4.093 2.268 -4.718 307 HA ILE 37 HA ILE 37 3.741 0.968 -2.091 308 HB ILE 37 HB ILE 37 1.502 1.895 -3.901 309 1HG1 ILE 37 HG13 ILE 37 2.386 2.740 -1.129 310 2HG1 ILE 37 HG12 ILE 37 2.426 3.710 -2.601 311 1HG2 ILE 37 HG21 ILE 37 1.177 -0.361 -2.800 312 2HG2 ILE 37 HG22 ILE 37 1.196 0.486 -1.256 313 3HG2 ILE 37 HG23 ILE 37 -0.052 0.853 -2.451 314 1HD1 ILE 37 HD11 ILE 37 -0.150 2.644 -1.469 315 2HD1 ILE 37 HD12 ILE 37 0.537 4.187 -0.956 316 3HD1 ILE 37 HD13 ILE 37 0.083 3.940 -2.644 317 H MET 38 HN MET 38 3.707 -1.193 -2.127 318 HA MET 38 HA MET 38 3.328 -2.578 -4.712 319 1HB MET 38 HB2 MET 38 5.311 -3.145 -2.492 320 2HB MET 38 HB3 MET 38 4.935 -4.305 -3.758 321 1HG MET 38 HG3 MET 38 5.759 -2.750 -5.437 322 2HG MET 38 HG2 MET 38 6.173 -1.593 -4.170 323 1HE MET 38 HE1 MET 38 9.082 -1.666 -4.824 324 2HE MET 38 HE2 MET 38 9.496 -3.160 -5.669 325 3HE MET 38 HE3 MET 38 8.090 -2.227 -6.175 326 H PHE 39 HN PHE 39 1.963 -4.369 -4.636 327 HA PHE 39 HA PHE 39 1.379 -5.548 -2.079 328 1HB PHE 39 HB2 PHE 39 -1.051 -5.290 -2.235 329 2HB PHE 39 HB3 PHE 39 -0.240 -3.745 -2.051 330 HD1 PHE 39 HD1 PHE 39 -2.092 -5.905 -4.341 331 HD2 PHE 39 HD2 PHE 39 -0.379 -2.064 -3.712 332 HE1 PHE 39 HE1 PHE 39 -3.384 -5.031 -6.239 333 HE2 PHE 39 HE2 PHE 39 -1.677 -1.179 -5.600 334 HZ PHE 39 HZ PHE 39 -3.167 -2.657 -6.873 335 H THR 40 HN THR 40 1.099 -7.660 -2.229 336 HA THR 40 HA THR 40 0.946 -8.846 -4.898 337 HB THR 40 HB THR 40 1.234 -10.977 -3.331 338 HG1 THR 40 HG1 THR 40 2.416 -10.421 -1.471 339 1HG2 THR 40 HG21 THR 40 3.172 -10.957 -4.409 340 2HG2 THR 40 HG22 THR 40 3.796 -9.856 -3.187 341 3HG2 THR 40 HG23 THR 40 3.050 -9.220 -4.659 342 H GLU 41 HN GLU 41 -0.963 -9.355 -5.673 343 HA GLU 41 HA GLU 41 -3.274 -9.410 -3.970 344 1HB GLU 41 HB2 GLU 41 -3.090 -9.914 -6.935 345 2HB GLU 41 HB3 GLU 41 -4.528 -9.474 -6.025 346 1HG GLU 41 HG2 GLU 41 -3.470 -7.299 -5.492 347 2HG GLU 41 HG3 GLU 41 -2.109 -7.747 -6.524 348 H GLN 42 HN GLN 42 -3.779 -11.128 -2.895 349 HA GLN 42 HA GLN 42 -3.255 -13.781 -4.010 350 1HB GLN 42 HB2 GLN 42 -4.231 -12.944 -1.267 351 2HB GLN 42 HB3 GLN 42 -3.905 -14.600 -1.770 352 1HG GLN 42 HG3 GLN 42 -1.842 -12.413 -1.729 353 2HG GLN 42 HG2 GLN 42 -2.095 -13.575 -0.430 354 1HE2 GLN 42 HE21 GLN 42 -0.733 -15.140 -0.440 355 2HE2 GLN 42 HE22 GLN 42 -0.127 -15.986 -1.817 356 H ASP 43 HN ASP 43 -4.854 -14.832 -5.049 357 HA ASP 43 HA ASP 43 -7.579 -13.823 -4.601 358 1HB ASP 43 HB3 ASP 43 -6.606 -13.451 -6.866 359 2HB ASP 43 HB2 ASP 43 -6.550 -15.199 -7.084 360 H ALA 44 HN ALA 44 -9.358 -15.315 -4.805 361 HA ALA 44 HA ALA 44 -8.697 -17.871 -3.550 362 1HB ALA 44 HB1 ALA 44 -10.394 -16.215 -2.602 363 2HB ALA 44 HB2 ALA 44 -11.466 -16.774 -3.889 364 3HB ALA 44 HB3 ALA 44 -10.854 -17.912 -2.685 365 H SER 45 HN SER 45 -8.168 -17.642 -6.263 366 HA SER 45 HA SER 45 -8.245 -18.874 -8.127 367 1HB SER 45 HB2 SER 45 -8.585 -20.829 -6.717 368 2HB SER 45 HB3 SER 45 -10.312 -20.492 -6.629 369 HG SER 45 HG SER 45 -8.786 -21.301 -8.880 370 H THR 46 HN THR 46 -11.634 -19.553 -7.601 371 HA THR 46 HA THR 46 -13.467 -19.054 -8.846 372 HB THR 46 HB THR 46 -13.904 -16.580 -9.101 373 HG1 THR 46 HG1 THR 46 -11.295 -16.386 -8.775 374 1HG2 THR 46 HG21 THR 46 -13.293 -17.897 -6.530 375 2HG2 THR 46 HG22 THR 46 -14.817 -17.249 -7.142 376 3HG2 THR 46 HG23 THR 46 -13.582 -16.154 -6.522 377 H SER 47 HN SER 47 -12.261 -20.251 -10.628 378 HA SER 47 HA SER 47 -11.805 -20.469 -12.840 379 1HB SER 47 HB3 SER 47 -12.829 -17.621 -13.106 380 2HB SER 47 HB2 SER 47 -12.666 -18.806 -14.402 381 HG SER 47 HG SER 47 -14.269 -20.053 -13.451 382 HA PRO 48 HA PRO 48 -7.793 -18.554 -13.735 383 1HB PRO 48 HB3 PRO 48 -8.011 -16.137 -15.146 384 2HB PRO 48 HB2 PRO 48 -7.808 -17.731 -15.887 385 1HG PRO 48 HG3 PRO 48 -10.299 -16.123 -15.461 386 2HG PRO 48 HG2 PRO 48 -9.866 -17.165 -16.829 387 1HD PRO 48 HD3 PRO 48 -11.622 -17.981 -15.012 388 2HD PRO 48 HD2 PRO 48 -10.436 -19.100 -15.710 389 HA PRO 49 HA PRO 49 -8.193 -15.925 -10.100 390 1HB PRO 49 HB3 PRO 49 -5.574 -16.046 -9.340 391 2HB PRO 49 HB2 PRO 49 -6.768 -17.302 -8.966 392 1HG PRO 49 HG3 PRO 49 -4.760 -17.168 -11.174 393 2HG PRO 49 HG2 PRO 49 -5.157 -18.535 -10.120 394 1HD PRO 49 HD2 PRO 49 -6.131 -18.383 -12.620 395 2HD PRO 49 HD3 PRO 49 -7.127 -19.018 -11.286 396 H SER 50 HN SER 50 -6.514 -14.204 -9.142 397 HA SER 50 HA SER 50 -5.705 -12.438 -11.358 398 1HB SER 50 HB2 SER 50 -7.116 -11.503 -8.850 399 2HB SER 50 HB3 SER 50 -6.636 -10.513 -10.224 400 HG SER 50 HG SER 50 -8.477 -12.684 -10.384 401 H TYR 51 HN TYR 51 -3.553 -13.226 -10.920 402 HA TYR 51 HA TYR 51 -2.260 -11.723 -8.754 403 1HB TYR 51 HB2 TYR 51 -2.550 -14.142 -8.074 404 2HB TYR 51 HB3 TYR 51 -1.494 -14.577 -9.419 405 HD1 TYR 51 HD1 TYR 51 -0.179 -15.663 -7.486 406 HD2 TYR 51 HD2 TYR 51 -0.561 -11.461 -7.931 407 HE1 TYR 51 HE1 TYR 51 1.798 -15.337 -6.067 408 HE2 TYR 51 HE2 TYR 51 1.416 -11.104 -6.511 409 HH TYR 51 HH TYR 51 2.648 -13.178 -4.502 410 H THR 52 HN THR 52 -1.154 -14.082 -11.180 411 HA THR 52 HA THR 52 0.432 -13.974 -12.800 412 HB THR 52 HB THR 52 -0.227 -11.031 -13.068 413 HG1 THR 52 HG1 THR 52 -1.976 -13.036 -13.188 414 1HG2 THR 52 HG21 THR 52 0.693 -11.117 -15.097 415 2HG2 THR 52 HG22 THR 52 -0.069 -12.664 -15.470 416 3HG2 THR 52 HG23 THR 52 1.441 -12.625 -14.564 417 H HIS 53 HN HIS 53 1.256 -10.636 -12.381 418 HA HIS 53 HA HIS 53 3.722 -11.502 -11.055 419 1HB HIS 53 HB2 HIS 53 3.079 -8.798 -12.267 420 2HB HIS 53 HB3 HIS 53 4.633 -9.274 -11.587 421 HD1 HIS 53 HD1 HIS 53 2.466 -9.666 -14.581 422 HD2 HIS 53 HD2 HIS 53 6.189 -10.969 -13.260 423 HE1 HIS 53 HE1 HIS 53 3.565 -10.716 -16.586 424 HE2 HIS 53 HE2 HIS 53 5.774 -11.586 -15.750 425 H TYR 54 HN TYR 54 1.514 -8.745 -10.896 426 HA TYR 54 HA TYR 54 0.180 -8.606 -8.752 427 1HB TYR 54 HB2 TYR 54 1.231 -8.278 -6.712 428 2HB TYR 54 HB3 TYR 54 2.212 -9.531 -7.454 429 HD1 TYR 54 HD1 TYR 54 2.077 -5.881 -6.856 430 HD2 TYR 54 HD2 TYR 54 4.465 -9.281 -7.703 431 HE1 TYR 54 HE1 TYR 54 4.119 -4.535 -6.481 432 HE2 TYR 54 HE2 TYR 54 6.495 -7.963 -7.373 433 HH TYR 54 HH TYR 54 6.688 -5.238 -5.779 434 H SER 55 HN SER 55 -0.716 -6.652 -8.629 435 HA SER 55 HA SER 55 0.143 -4.662 -10.419 436 1HB SER 55 HB2 SER 55 -1.901 -4.509 -8.184 437 2HB SER 55 HB3 SER 55 -1.717 -3.303 -9.461 438 HG SER 55 HG SER 55 -2.764 -5.887 -9.559 439 H SER 56 HN SER 56 1.422 -2.953 -10.223 440 HA SER 56 HA SER 56 2.559 -2.350 -7.582 441 1HB SER 56 HB3 SER 56 3.619 -1.473 -10.284 442 2HB SER 56 HB2 SER 56 4.483 -1.505 -8.741 443 HG SER 56 HG SER 56 3.411 -3.916 -9.651 444 H ILE 57 HN ILE 57 2.511 -0.236 -6.768 445 HA ILE 57 HA ILE 57 0.756 1.625 -8.230 446 HB ILE 57 HB ILE 57 1.005 1.036 -5.297 447 1HG1 ILE 57 HG13 ILE 57 -0.645 -0.210 -6.586 448 2HG1 ILE 57 HG12 ILE 57 -1.442 0.872 -5.447 449 1HG2 ILE 57 HG21 ILE 57 -0.791 3.219 -5.753 450 2HG2 ILE 57 HG22 ILE 57 0.594 3.120 -4.659 451 3HG2 ILE 57 HG23 ILE 57 0.824 3.643 -6.328 452 1HD1 ILE 57 HD11 ILE 57 -1.391 2.460 -7.602 453 2HD1 ILE 57 HD12 ILE 57 -1.462 0.879 -8.382 454 3HD1 ILE 57 HD13 ILE 57 -2.710 1.344 -7.233 455 H ARG 58 HN ARG 58 1.272 3.748 -8.300 456 HA ARG 58 HA ARG 58 4.082 4.411 -7.727 457 1HB ARG 58 HB3 ARG 58 2.836 4.797 -10.077 458 2HB ARG 58 HB2 ARG 58 2.318 6.259 -9.235 459 1HG ARG 58 HG2 ARG 58 4.682 6.799 -8.788 460 2HG ARG 58 HG3 ARG 58 5.132 5.458 -9.853 461 1HD ARG 58 HD2 ARG 58 3.466 7.859 -10.576 462 2HD ARG 58 HD3 ARG 58 5.134 7.551 -11.081 463 HE ARG 58 HE ARG 58 3.545 5.372 -11.856 464 1HH1 ARG 58 HH11 ARG 58 4.433 8.635 -13.120 465 2HH1 ARG 58 HH12 ARG 58 2.846 8.692 -13.838 466 1HH2 ARG 58 HH22 ARG 58 3.595 5.332 -14.475 467 2HH2 ARG 58 HH21 ARG 58 2.224 6.387 -14.713 468 H LEU 59 HN LEU 59 4.518 5.833 -6.184 469 HA LEU 59 HA LEU 59 2.329 6.996 -4.684 470 1HB LEU 59 HB2 LEU 59 4.420 5.789 -3.778 471 2HB LEU 59 HB3 LEU 59 5.258 7.298 -4.092 472 HG LEU 59 HG LEU 59 3.468 8.388 -2.600 473 1HD1 LEU 59 HD11 LEU 59 2.099 7.122 -1.299 474 2HD1 LEU 59 HD12 LEU 59 2.198 6.056 -2.705 475 3HD1 LEU 59 HD13 LEU 59 3.204 5.760 -1.282 476 1HD2 LEU 59 HD21 LEU 59 5.095 8.477 -1.122 477 2HD2 LEU 59 HD22 LEU 59 4.895 6.780 -0.690 478 3HD2 LEU 59 HD23 LEU 59 5.952 7.247 -2.033 479 H ASP 60 HN ASP 60 4.587 7.913 -7.069 480 HA ASP 60 HA ASP 60 5.127 10.545 -6.528 481 1HB ASP 60 HB2 ASP 60 4.797 9.095 -9.138 482 2HB ASP 60 HB3 ASP 60 5.375 10.754 -9.037 483 H LYS 61 HN LYS 61 2.578 9.457 -8.812 484 HA LYS 61 HA LYS 61 1.309 12.056 -8.346 485 1HB LYS 61 HB3 LYS 61 1.867 10.693 -10.976 486 2HB LYS 61 HB2 LYS 61 0.729 12.027 -10.816 487 1HG LYS 61 HG2 LYS 61 2.434 13.508 -10.110 488 2HG LYS 61 HG3 LYS 61 3.586 12.191 -9.918 489 1HD LYS 61 HD3 LYS 61 3.636 11.833 -12.298 490 2HD LYS 61 HD2 LYS 61 2.381 13.046 -12.534 491 1HE LYS 61 HE2 LYS 61 4.683 13.837 -13.024 492 2HE LYS 61 HE3 LYS 61 3.840 14.796 -11.815 493 1HZ LYS 61 HZ1 LYS 61 5.109 13.753 -10.095 494 2HZ LYS 61 HZ2 LYS 61 6.189 14.284 -11.302 495 3HZ LYS 61 HZ3 LYS 61 5.777 12.644 -11.187 496 H TYR 62 HN TYR 62 0.032 10.601 -6.839 497 HA TYR 62 HA TYR 62 -2.401 9.929 -8.281 498 1HB TYR 62 HB3 TYR 62 -2.696 7.762 -7.426 499 2HB TYR 62 HB2 TYR 62 -0.995 7.792 -7.878 500 HD1 TYR 62 HD1 TYR 62 -3.185 6.761 -5.444 501 HD2 TYR 62 HD2 TYR 62 0.577 8.716 -5.811 502 HE1 TYR 62 HE1 TYR 62 -2.638 6.103 -3.149 503 HE2 TYR 62 HE2 TYR 62 1.132 8.060 -3.490 504 HH TYR 62 HH TYR 62 -0.178 7.414 -1.378 505 H ASN 63 HN ASN 63 -4.231 10.513 -7.117 506 HA ASN 63 HA ASN 63 -3.686 11.907 -4.594 507 1HB ASN 63 HB3 ASN 63 -5.028 12.939 -6.537 508 2HB ASN 63 HB2 ASN 63 -6.332 11.891 -5.997 509 1HD2 ASN 63 HD21 ASN 63 -4.247 12.959 -3.492 510 2HD2 ASN 63 HD22 ASN 63 -5.181 14.309 -2.958 511 H ILE 64 HN ILE 64 -3.822 10.706 -2.885 512 HA ILE 64 HA ILE 64 -5.827 8.561 -2.765 513 HB ILE 64 HB ILE 64 -3.490 7.879 -2.418 514 1HG1 ILE 64 HG12 ILE 64 -4.914 7.603 0.221 515 2HG1 ILE 64 HG13 ILE 64 -5.483 6.790 -1.236 516 1HG2 ILE 64 HG21 ILE 64 -2.037 8.803 -0.984 517 2HG2 ILE 64 HG22 ILE 64 -3.100 10.199 -1.113 518 3HG2 ILE 64 HG23 ILE 64 -3.259 9.091 0.253 519 1HD1 ILE 64 HD11 ILE 64 -3.401 6.025 0.553 520 2HD1 ILE 64 HD12 ILE 64 -4.089 5.142 -0.808 521 3HD1 ILE 64 HD13 ILE 64 -2.744 6.260 -1.069 522 H ARG 65 HN ARG 65 -7.480 8.621 -1.308 523 HA ARG 65 HA ARG 65 -7.493 10.766 0.720 524 1HB ARG 65 HB3 ARG 65 -9.769 10.100 -1.155 525 2HB ARG 65 HB2 ARG 65 -9.826 11.298 0.113 526 1HG ARG 65 HG2 ARG 65 -8.087 11.396 -2.351 527 2HG ARG 65 HG3 ARG 65 -9.549 12.337 -2.067 528 1HD ARG 65 HD2 ARG 65 -6.998 12.476 -0.473 529 2HD ARG 65 HD3 ARG 65 -7.542 13.664 -1.656 530 HE ARG 65 HE ARG 65 -9.478 13.309 0.406 531 1HH1 ARG 65 HH12 ARG 65 -7.204 16.195 -0.310 532 2HH1 ARG 65 HH11 ARG 65 -6.134 15.104 0.536 533 1HH2 ARG 65 HH21 ARG 65 -8.835 14.919 2.661 534 2HH2 ARG 65 HH22 ARG 65 -9.282 16.202 1.574 535 H GLN 66 HN GLN 66 -10.188 10.357 1.539 536 HA GLN 66 HA GLN 66 -10.411 7.568 2.335 537 1HB GLN 66 HB3 GLN 66 -10.665 8.143 4.705 538 2HB GLN 66 HB2 GLN 66 -9.076 8.598 4.112 539 1HG GLN 66 HG3 GLN 66 -9.780 10.911 3.919 540 2HG GLN 66 HG2 GLN 66 -11.390 10.483 4.498 541 1HE2 GLN 66 HE21 GLN 66 -9.144 8.589 6.023 542 2HE2 GLN 66 HE22 GLN 66 -9.146 9.417 7.534 543 H HIS 67 HN HIS 67 -12.604 6.959 2.713 544 HA HIS 67 HA HIS 67 -14.554 9.094 2.145 545 1HB HIS 67 HB3 HIS 67 -14.315 6.310 1.116 546 2HB HIS 67 HB2 HIS 67 -15.874 7.146 1.095 547 HD1 HIS 67 HD1 HIS 67 -15.181 9.902 0.126 548 HD2 HIS 67 HD2 HIS 67 -13.441 6.478 -1.451 549 HE1 HIS 67 HE1 HIS 67 -14.386 10.541 -2.190 550 HE2 HIS 67 HE2 HIS 67 -13.568 8.379 -3.200 551 H THR 68 HN THR 68 -16.190 6.302 2.290 552 HA THR 68 HA THR 68 -17.747 6.967 4.496 553 HB THR 68 HB THR 68 -17.677 4.135 3.612 554 HG1 THR 68 HG1 THR 68 -18.980 5.366 1.737 555 1HG2 THR 68 HG21 THR 68 -19.615 4.431 4.732 556 2HG2 THR 68 HG22 THR 68 -20.166 4.930 3.134 557 3HG2 THR 68 HG23 THR 68 -19.724 6.145 4.342 558 H THR 69 HN THR 69 -18.278 4.942 6.137 559 HA THR 69 HA THR 69 -17.681 3.963 8.081 560 HB THR 69 HB THR 69 -14.902 3.544 6.951 561 HG1 THR 69 HG1 THR 69 -17.305 2.533 6.045 562 1HG2 THR 69 HG21 THR 69 -16.617 1.915 8.810 563 2HG2 THR 69 HG22 THR 69 -15.128 2.775 9.209 564 3HG2 THR 69 HG23 THR 69 -15.068 1.375 8.142 565 H ASP 70 HN ASP 70 -17.970 6.100 8.845 566 HA ASP 70 HA ASP 70 -17.471 8.030 9.878 567 1HB ASP 70 HB2 ASP 70 -14.814 6.712 10.491 568 2HB ASP 70 HB3 ASP 70 -15.568 8.059 11.330 569 H GLU 71 HN GLU 71 -14.095 7.757 9.419 570 HA GLU 71 HA GLU 71 -14.022 8.848 6.777 571 1HB GLU 71 HB3 GLU 71 -13.153 10.553 9.111 572 2HB GLU 71 HB2 GLU 71 -12.588 10.784 7.461 573 1HG GLU 71 HG3 GLU 71 -15.017 10.999 6.802 574 2HG GLU 71 HG2 GLU 71 -15.361 11.099 8.531 575 H ASP 72 HN ASP 72 -12.906 6.884 6.544 576 HA ASP 72 HA ASP 72 -10.120 7.117 6.748 577 1HB ASP 72 HB2 ASP 72 -9.622 5.291 8.368 578 2HB ASP 72 HB3 ASP 72 -10.277 6.758 9.080 579 H THR 73 HN THR 73 -12.443 5.937 4.980 580 HA THR 73 HA THR 73 -11.271 3.290 4.480 581 HB THR 73 HB THR 73 -13.442 4.777 2.946 582 HG1 THR 73 HG1 THR 73 -14.263 4.164 4.906 583 1HG2 THR 73 HG21 THR 73 -12.168 3.061 1.613 584 2HG2 THR 73 HG22 THR 73 -13.893 2.757 1.783 585 3HG2 THR 73 HG23 THR 73 -12.736 1.855 2.762 586 H ILE 74 HN ILE 74 -9.440 3.229 3.297 587 HA ILE 74 HA ILE 74 -8.561 5.658 2.038 588 HB ILE 74 HB ILE 74 -7.156 2.989 2.215 589 1HG1 ILE 74 HG12 ILE 74 -7.645 3.881 4.432 590 2HG1 ILE 74 HG13 ILE 74 -5.923 4.021 4.091 591 1HG2 ILE 74 HG21 ILE 74 -6.539 5.321 0.745 592 2HG2 ILE 74 HG22 ILE 74 -5.397 5.234 2.081 593 3HG2 ILE 74 HG23 ILE 74 -5.555 3.878 0.963 594 1HD1 ILE 74 HD11 ILE 74 -7.486 6.003 5.083 595 2HD1 ILE 74 HD12 ILE 74 -5.962 6.254 4.227 596 3HD1 ILE 74 HD13 ILE 74 -7.488 6.382 3.367 597 H VAL 75 HN VAL 75 -8.550 6.160 -0.017 598 HA VAL 75 HA VAL 75 -8.894 4.081 -2.036 599 HB VAL 75 HB VAL 75 -10.438 5.461 -3.274 600 1HG1 VAL 75 HG11 VAL 75 -12.294 4.811 -2.191 601 2HG1 VAL 75 HG12 VAL 75 -11.128 3.993 -1.149 602 3HG1 VAL 75 HG13 VAL 75 -11.790 5.563 -0.676 603 1HG2 VAL 75 HG21 VAL 75 -10.436 7.402 -0.963 604 2HG2 VAL 75 HG22 VAL 75 -9.587 7.650 -2.491 605 3HG2 VAL 75 HG23 VAL 75 -11.349 7.533 -2.474 606 H LEU 76 HN LEU 76 -7.902 4.651 -4.046 607 HA LEU 76 HA LEU 76 -6.242 7.061 -3.964 608 1HB LEU 76 HB3 LEU 76 -4.492 5.686 -5.194 609 2HB LEU 76 HB2 LEU 76 -4.651 5.442 -3.466 610 HG LEU 76 HG LEU 76 -6.280 3.645 -5.094 611 1HD1 LEU 76 HD21 LEU 76 -3.900 2.337 -5.254 612 2HD1 LEU 76 HD22 LEU 76 -4.673 3.208 -6.583 613 3HD1 LEU 76 HD23 LEU 76 -3.434 4.001 -5.610 614 1HD2 LEU 76 HD11 LEU 76 -4.883 2.036 -3.483 615 2HD2 LEU 76 HD12 LEU 76 -4.656 3.559 -2.609 616 3HD2 LEU 76 HD13 LEU 76 -6.280 2.963 -2.920 617 H GLN 77 HN GLN 77 -6.725 8.333 -5.525 618 HA GLN 77 HA GLN 77 -7.777 7.254 -8.059 619 1HB GLN 77 HB2 GLN 77 -8.077 10.013 -6.849 620 2HB GLN 77 HB3 GLN 77 -8.757 9.504 -8.392 621 1HG GLN 77 HG2 GLN 77 -10.251 8.004 -7.348 622 2HG GLN 77 HG3 GLN 77 -9.405 8.131 -5.801 623 1HE2 GLN 77 HE21 GLN 77 -10.356 9.323 -4.374 624 2HE2 GLN 77 HE22 GLN 77 -11.294 10.746 -4.663 625 HA PRO 78 HA PRO 78 -3.703 8.554 -9.593 626 1HB PRO 78 HB2 PRO 78 -4.096 7.602 -12.101 627 2HB PRO 78 HB3 PRO 78 -3.634 6.562 -10.745 628 1HG PRO 78 HG2 PRO 78 -6.368 7.055 -11.897 629 2HG PRO 78 HG3 PRO 78 -5.600 5.517 -11.455 630 1HD PRO 78 HD2 PRO 78 -7.363 6.716 -9.826 631 2HD PRO 78 HD3 PRO 78 -5.950 5.859 -9.178 632 H GLN 79 HN GLN 79 -3.000 10.156 -11.022 633 HA GLN 79 HA GLN 79 -5.168 11.717 -12.242 634 1HB GLN 79 HB3 GLN 79 -3.783 13.728 -11.966 635 2HB GLN 79 HB2 GLN 79 -4.119 12.975 -10.415 636 1HG GLN 79 HG3 GLN 79 -1.904 12.034 -10.348 637 2HG GLN 79 HG2 GLN 79 -1.559 12.656 -11.962 638 1HE2 GLN 79 HE21 GLN 79 -3.448 14.819 -10.188 639 2HE2 GLN 79 HE22 GLN 79 -2.190 15.945 -9.840 640 H GLU 80 HN GLU 80 -3.049 9.496 -12.944 641 HA GLU 80 HA GLU 80 -2.475 10.617 -15.599 642 1HB GLU 80 HB3 GLU 80 -0.581 9.087 -13.830 643 2HB GLU 80 HB2 GLU 80 -0.406 9.091 -15.576 644 1HG GLU 80 HG2 GLU 80 -0.316 11.601 -15.457 645 2HG GLU 80 HG3 GLU 80 -0.185 11.425 -13.706 646 HA PRO 81 HA PRO 81 -4.899 7.049 -16.775 647 1HB PRO 81 HB2 PRO 81 -3.681 7.617 -19.414 648 2HB PRO 81 HB3 PRO 81 -5.388 7.475 -18.976 649 1HG PRO 81 HG2 PRO 81 -4.282 9.850 -19.492 650 2HG PRO 81 HG3 PRO 81 -5.511 9.668 -18.232 651 1HD PRO 81 HD2 PRO 81 -2.541 9.941 -17.990 652 2HD PRO 81 HD3 PRO 81 -3.819 10.624 -16.953 653 H GLY 82 HN GLY 82 -4.188 5.134 -16.250 654 1HA GLY 82 HA1 GLY 82 -2.945 3.227 -17.438 655 2HA GLY 82 HA2 GLY 82 -1.528 4.239 -17.165 656 H LEU 83 HN LEU 83 -2.794 5.162 -14.604 657 HA LEU 83 HA LEU 83 -1.868 2.950 -12.938 658 1HB LEU 83 HB3 LEU 83 -1.157 5.367 -12.562 659 2HB LEU 83 HB2 LEU 83 -2.790 5.667 -12.003 660 HG LEU 83 HG LEU 83 -2.460 3.938 -10.221 661 1HD1 LEU 83 HD11 LEU 83 -0.717 2.589 -10.191 662 2HD1 LEU 83 HD12 LEU 83 -0.220 3.268 -11.741 663 3HD1 LEU 83 HD13 LEU 83 0.391 3.950 -10.235 664 1HD2 LEU 83 HD21 LEU 83 -2.220 6.189 -9.574 665 2HD2 LEU 83 HD22 LEU 83 -0.857 5.336 -8.866 666 3HD2 LEU 83 HD23 LEU 83 -0.627 6.327 -10.319 667 HA PRO 84 HA PRO 84 -6.117 1.844 -12.311 668 1HB PRO 84 HB2 PRO 84 -5.311 -0.040 -10.309 669 2HB PRO 84 HB3 PRO 84 -5.809 -0.351 -11.970 670 1HG PRO 84 HG2 PRO 84 -3.252 -0.752 -11.036 671 2HG PRO 84 HG3 PRO 84 -3.652 -0.432 -12.729 672 1HD PRO 84 HD2 PRO 84 -2.601 1.459 -10.656 673 2HD PRO 84 HD3 PRO 84 -2.207 1.331 -12.388 674 H SER 85 HN SER 85 -7.740 1.726 -10.641 675 HA SER 85 HA SER 85 -6.957 3.064 -8.143 676 1HB SER 85 HB2 SER 85 -9.253 4.220 -8.320 677 2HB SER 85 HB3 SER 85 -7.954 4.817 -9.351 678 HG SER 85 HG SER 85 -9.240 2.851 -10.631 679 H PHE 86 HN PHE 86 -7.582 2.040 -6.386 680 HA PHE 86 HA PHE 86 -10.012 0.405 -6.369 681 1HB PHE 86 HB3 PHE 86 -8.945 -1.556 -5.519 682 2HB PHE 86 HB2 PHE 86 -8.057 -1.069 -6.953 683 HD1 PHE 86 HD1 PHE 86 -6.062 0.723 -6.258 684 HD2 PHE 86 HD2 PHE 86 -7.668 -2.436 -3.904 685 HE1 PHE 86 HE1 PHE 86 -3.923 0.556 -5.044 686 HE2 PHE 86 HE2 PHE 86 -5.565 -2.562 -2.634 687 HZ PHE 86 HZ PHE 86 -3.676 -1.083 -3.214 688 H ARG 87 HN ARG 87 -10.593 -0.242 -4.113 689 HA ARG 87 HA ARG 87 -9.900 1.940 -2.268 690 1HB ARG 87 HB3 ARG 87 -12.036 1.190 -1.130 691 2HB ARG 87 HB2 ARG 87 -12.252 1.807 -2.767 692 1HG ARG 87 HG2 ARG 87 -12.265 -0.485 -3.623 693 2HG ARG 87 HG3 ARG 87 -12.065 -1.093 -1.983 694 1HD ARG 87 HD2 ARG 87 -14.322 -1.326 -2.430 695 2HD ARG 87 HD3 ARG 87 -14.207 0.118 -1.436 696 HE ARG 87 HE ARG 87 -15.287 1.194 -3.102 697 1HH1 ARG 87 HH11 ARG 87 -14.067 -1.732 -4.804 698 2HH1 ARG 87 HH12 ARG 87 -13.206 -0.640 -5.847 699 1HH2 ARG 87 HH21 ARG 87 -15.134 1.734 -5.959 700 2HH2 ARG 87 HH22 ARG 87 -16.406 0.577 -5.710 701 H ILE 88 HN ILE 88 -9.265 1.454 -0.107 702 HA ILE 88 HA ILE 88 -8.897 -1.395 0.510 703 HB ILE 88 HB ILE 88 -6.709 -0.575 1.733 704 1HG1 ILE 88 HG12 ILE 88 -6.988 1.358 -0.585 705 2HG1 ILE 88 HG13 ILE 88 -6.896 1.779 1.120 706 1HG2 ILE 88 HG21 ILE 88 -6.906 -1.201 -1.206 707 2HG2 ILE 88 HG22 ILE 88 -5.439 -1.331 -0.233 708 3HG2 ILE 88 HG23 ILE 88 -6.826 -2.363 0.121 709 1HD1 ILE 88 HD11 ILE 88 -4.721 0.692 -0.631 710 2HD1 ILE 88 HD12 ILE 88 -4.764 2.212 0.263 711 3HD1 ILE 88 HD13 ILE 88 -4.625 0.682 1.130 712 H LYS 89 HN LYS 89 -9.843 -1.940 2.269 713 HA LYS 89 HA LYS 89 -9.800 -0.179 4.603 714 1HB LYS 89 HB3 LYS 89 -12.098 -0.145 4.957 715 2HB LYS 89 HB2 LYS 89 -12.042 -0.051 3.202 716 1HG LYS 89 HG2 LYS 89 -12.926 -2.099 2.909 717 2HG LYS 89 HG3 LYS 89 -12.181 -2.751 4.375 718 1HD LYS 89 HD3 LYS 89 -14.639 -2.582 4.584 719 2HD LYS 89 HD2 LYS 89 -13.801 -1.555 5.749 720 1HE LYS 89 HE3 LYS 89 -14.115 0.355 4.185 721 2HE LYS 89 HE2 LYS 89 -15.106 -0.696 3.177 722 1HZ LYS 89 HZ1 LYS 89 -16.143 0.855 5.019 723 2HZ LYS 89 HZ2 LYS 89 -15.862 -0.509 5.991 724 3HZ LYS 89 HZ3 LYS 89 -16.822 -0.633 4.597 725 HA PRO 90 HA PRO 90 -9.010 -4.176 6.432 726 1HB PRO 90 HB3 PRO 90 -9.474 -3.689 9.031 727 2HB PRO 90 HB2 PRO 90 -8.142 -2.900 8.190 728 1HG PRO 90 HG3 PRO 90 -10.821 -1.817 8.936 729 2HG PRO 90 HG2 PRO 90 -9.243 -1.013 8.927 730 1HD PRO 90 HD2 PRO 90 -11.173 -0.774 6.936 731 2HD PRO 90 HD3 PRO 90 -9.456 -0.373 6.767 732 H LYS 91 HN LYS 91 -10.999 -4.952 5.185 733 HA LYS 91 HA LYS 91 -13.471 -5.083 6.565 734 1HB LYS 91 HB2 LYS 91 -13.388 -5.191 4.128 735 2HB LYS 91 HB3 LYS 91 -12.396 -6.634 4.201 736 1HG LYS 91 HG3 LYS 91 -14.582 -7.300 3.635 737 2HG LYS 91 HG2 LYS 91 -14.280 -7.814 5.292 738 1HD LYS 91 HD2 LYS 91 -15.428 -5.686 6.026 739 2HD LYS 91 HD3 LYS 91 -15.938 -5.476 4.358 740 1HE LYS 91 HE2 LYS 91 -16.618 -7.732 6.217 741 2HE LYS 91 HE3 LYS 91 -17.698 -6.482 5.606 742 1HZ LYS 91 HZ1 LYS 91 -16.961 -8.960 4.406 743 2HZ LYS 91 HZ2 LYS 91 -16.676 -7.666 3.350 744 3HZ LYS 91 HZ3 LYS 91 -18.223 -7.868 3.997 745 H ASP 92 HN ASP 92 -10.968 -7.514 5.883 746 HA ASP 92 HA ASP 92 -12.174 -9.421 7.678 747 1HB ASP 92 HB3 ASP 92 -10.753 -9.753 5.424 748 2HB ASP 92 HB2 ASP 92 -9.435 -9.847 6.585 749 H PHE 93 HN PHE 93 -10.117 -10.666 8.888 750 HA PHE 93 HA PHE 93 -8.814 -10.681 10.727 751 1HB PHE 93 HB2 PHE 93 -8.036 -7.936 9.728 752 2HB PHE 93 HB3 PHE 93 -7.246 -8.745 11.079 753 HD1 PHE 93 HD1 PHE 93 -6.628 -11.330 10.451 754 HD2 PHE 93 HD2 PHE 93 -6.886 -8.045 7.751 755 HE1 PHE 93 HE1 PHE 93 -5.119 -12.495 8.894 756 HE2 PHE 93 HE2 PHE 93 -5.359 -9.203 6.207 757 HZ PHE 93 HZ PHE 93 -4.486 -11.433 6.780 758 H GLU 94 HN GLU 94 -8.299 -7.877 12.110 759 HA GLU 94 HA GLU 94 -10.749 -7.017 13.179 760 1HB GLU 94 HB3 GLU 94 -10.841 -9.266 14.179 761 2HB GLU 94 HB2 GLU 94 -9.260 -9.003 14.903 762 1HG GLU 94 HG2 GLU 94 -10.122 -7.269 16.315 763 2HG GLU 94 HG3 GLU 94 -11.688 -7.333 15.504 764 H THR 95 HN THR 95 -7.622 -7.834 14.673 765 HA THR 95 HA THR 95 -7.378 -5.301 15.922 766 HB THR 95 HB THR 95 -5.078 -7.158 15.440 767 HG1 THR 95 HG1 THR 95 -7.042 -7.588 17.452 768 1HG2 THR 95 HG21 THR 95 -5.239 -4.931 16.964 769 2HG2 THR 95 HG22 THR 95 -4.145 -6.284 17.280 770 3HG2 THR 95 HG23 THR 95 -5.674 -6.182 18.136 771 H SER 96 HN SER 96 -7.260 -5.942 12.819 772 HA SER 96 HA SER 96 -4.904 -4.433 12.117 773 1HB SER 96 HB3 SER 96 -7.100 -5.523 10.322 774 2HB SER 96 HB2 SER 96 -5.551 -4.854 9.786 775 HG SER 96 HG SER 96 -4.509 -6.589 10.527 776 H GLU 97 HN GLU 97 -7.883 -3.661 13.235 777 HA GLU 97 HA GLU 97 -8.583 -1.467 11.520 778 1HB GLU 97 HB3 GLU 97 -10.086 -2.820 13.183 779 2HB GLU 97 HB2 GLU 97 -9.467 -1.707 14.390 780 1HG GLU 97 HG3 GLU 97 -10.912 -0.881 11.882 781 2HG GLU 97 HG2 GLU 97 -11.668 -1.089 13.458 782 H TYR 98 HN TYR 98 -6.837 -1.887 14.576 783 HA TYR 98 HA TYR 98 -6.521 0.786 15.280 784 1HB TYR 98 HB3 TYR 98 -5.996 -1.242 16.691 785 2HB TYR 98 HB2 TYR 98 -4.518 -1.432 15.754 786 HD1 TYR 98 HD1 TYR 98 -6.232 1.336 17.657 787 HD2 TYR 98 HD2 TYR 98 -2.590 -0.676 16.725 788 HE1 TYR 98 HE1 TYR 98 -5.016 2.820 19.207 789 HE2 TYR 98 HE2 TYR 98 -1.376 0.797 18.259 790 HH TYR 98 HH TYR 98 -1.541 2.880 19.347 791 H VAL 99 HN VAL 99 -4.085 -1.285 13.711 792 HA VAL 99 HA VAL 99 -2.369 0.793 13.024 793 HB VAL 99 HB VAL 99 -1.694 -1.563 13.125 794 1HG1 VAL 99 HG11 VAL 99 -2.148 -2.832 10.901 795 2HG1 VAL 99 HG12 VAL 99 -3.363 -2.817 12.179 796 3HG1 VAL 99 HG13 VAL 99 -3.531 -1.739 10.796 797 1HG2 VAL 99 HG21 VAL 99 -0.353 0.150 11.881 798 2HG2 VAL 99 HG22 VAL 99 -0.131 -1.499 11.296 799 3HG2 VAL 99 HG23 VAL 99 -1.160 -0.382 10.400 800 H ARG 100 HN ARG 100 -5.280 -0.248 11.517 801 HA ARG 100 HA ARG 100 -4.893 0.612 8.885 802 1HB ARG 100 HB3 ARG 100 -6.839 -0.689 9.521 803 2HB ARG 100 HB2 ARG 100 -7.376 0.574 10.611 804 1HG ARG 100 HG2 ARG 100 -7.097 1.274 7.739 805 2HG ARG 100 HG3 ARG 100 -8.446 0.244 8.223 806 1HD ARG 100 HD3 ARG 100 -8.686 2.094 10.105 807 2HD ARG 100 HD2 ARG 100 -7.869 3.077 8.889 808 HE ARG 100 HE ARG 100 -9.765 3.067 7.616 809 1HH1 ARG 100 HH11 ARG 100 -10.618 1.498 10.613 810 2HH1 ARG 100 HH12 ARG 100 -11.677 0.354 9.846 811 1HH2 ARG 100 HH21 ARG 100 -12.432 2.904 8.005 812 2HH2 ARG 100 HH22 ARG 100 -12.468 1.240 7.479 813 H LYS 101 HN LYS 101 -6.067 2.362 11.758 814 HA LYS 101 HA LYS 101 -6.406 4.866 10.475 815 1HB LYS 101 HB3 LYS 101 -6.199 3.921 13.317 816 2HB LYS 101 HB2 LYS 101 -6.154 5.647 12.966 817 1HG LYS 101 HG2 LYS 101 -8.299 5.697 12.170 818 2HG LYS 101 HG3 LYS 101 -8.321 3.977 11.784 819 1HD LYS 101 HD3 LYS 101 -8.582 3.396 14.069 820 2HD LYS 101 HD2 LYS 101 -8.203 5.047 14.593 821 1HE LYS 101 HE3 LYS 101 -10.573 4.744 14.752 822 2HE LYS 101 HE2 LYS 101 -10.216 5.834 13.418 823 1HZ LYS 101 HZ1 LYS 101 -10.952 4.388 11.873 824 2HZ LYS 101 HZ2 LYS 101 -11.928 3.915 13.168 825 3HZ LYS 101 HZ3 LYS 101 -10.555 2.998 12.792 826 H ALA 102 HN ALA 102 -3.679 3.173 11.842 827 HA ALA 102 HA ALA 102 -1.991 5.507 11.928 828 1HB ALA 102 HB1 ALA 102 -1.710 3.569 13.464 829 2HB ALA 102 HB2 ALA 102 -1.150 2.612 12.088 830 3HB ALA 102 HB3 ALA 102 -0.233 4.019 12.610 831 H TRP 103 HN TRP 103 -3.178 3.649 9.470 832 HA TRP 103 HA TRP 103 -0.794 3.748 7.795 833 1HB TRP 103 HB3 TRP 103 -3.475 2.471 7.558 834 2HB TRP 103 HB2 TRP 103 -2.703 2.967 6.059 835 HD1 TRP 103 HD1 TRP 103 -1.883 0.719 9.123 836 HE1 TRP 103 HE1 TRP 103 -0.401 -1.236 8.307 837 HE3 TRP 103 HE3 TRP 103 -1.296 2.144 4.245 838 HZ2 TRP 103 HZ2 TRP 103 0.851 -2.030 5.877 839 HZ3 TRP 103 HZ3 TRP 103 0.076 0.755 2.770 840 HH2 TRP 103 HH2 TRP 103 1.125 -1.270 3.564 841 H LEU 104 HN LEU 104 -4.035 5.186 7.995 842 HA LEU 104 HA LEU 104 -3.833 6.785 5.678 843 1HB LEU 104 HB3 LEU 104 -5.731 8.020 6.595 844 2HB LEU 104 HB2 LEU 104 -5.978 6.288 6.657 845 HG LEU 104 HG LEU 104 -5.157 6.556 9.157 846 1HD1 LEU 104 HD21 LEU 104 -5.786 8.693 10.127 847 2HD1 LEU 104 HD22 LEU 104 -4.547 8.950 8.873 848 3HD1 LEU 104 HD23 LEU 104 -6.239 9.298 8.539 849 1HD2 LEU 104 HD11 LEU 104 -7.846 7.724 8.756 850 2HD2 LEU 104 HD12 LEU 104 -7.543 6.175 7.974 851 3HD2 LEU 104 HD13 LEU 104 -7.341 6.342 9.729 852 H ARG 105 HN ARG 105 -2.422 7.055 8.752 853 HA ARG 105 HA ARG 105 -2.067 9.879 8.848 854 1HB ARG 105 HB3 ARG 105 -1.726 8.528 10.860 855 2HB ARG 105 HB2 ARG 105 -0.376 7.695 10.108 856 1HG ARG 105 HG2 ARG 105 0.872 9.799 10.016 857 2HG ARG 105 HG3 ARG 105 -0.503 10.648 10.705 858 1HD ARG 105 HD2 ARG 105 -0.269 9.379 12.780 859 2HD ARG 105 HD3 ARG 105 1.101 8.506 12.092 860 HE ARG 105 HE ARG 105 1.644 11.234 11.860 861 1HH1 ARG 105 HH12 ARG 105 1.146 9.494 15.121 862 2HH1 ARG 105 HH11 ARG 105 2.789 9.018 14.771 863 1HH2 ARG 105 HH21 ARG 105 2.518 12.569 13.926 864 2HH2 ARG 105 HH22 ARG 105 3.862 11.474 14.158 865 H ASP 106 HN ASP 106 -0.294 7.192 7.466 866 HA ASP 106 HA ASP 106 1.875 8.782 6.463 867 1HB ASP 106 HB2 ASP 106 1.038 5.955 6.191 868 2HB ASP 106 HB3 ASP 106 1.983 6.621 4.863 869 H ILE 107 HN ILE 107 -1.327 8.261 5.514 870 HA ILE 107 HA ILE 107 -0.890 8.789 2.697 871 HB ILE 107 HB ILE 107 -3.255 8.177 4.410 872 1HG1 ILE 107 HG13 ILE 107 -3.715 6.566 2.618 873 2HG1 ILE 107 HG12 ILE 107 -2.404 7.246 1.664 874 1HG2 ILE 107 HG21 ILE 107 -4.841 9.255 3.244 875 2HG2 ILE 107 HG22 ILE 107 -3.523 10.291 2.684 876 3HG2 ILE 107 HG23 ILE 107 -4.054 8.925 1.696 877 1HD1 ILE 107 HD11 ILE 107 -0.786 6.234 2.892 878 2HD1 ILE 107 HD12 ILE 107 -1.774 6.161 4.358 879 3HD1 ILE 107 HD13 ILE 107 -2.082 5.049 3.030 880 H ALA 108 HN ALA 108 -1.963 10.443 5.599 881 HA ALA 108 HA ALA 108 -2.682 12.896 4.336 882 1HB ALA 108 HB1 ALA 108 -3.678 12.824 6.369 883 2HB ALA 108 HB2 ALA 108 -2.350 11.931 7.106 884 3HB ALA 108 HB3 ALA 108 -2.206 13.666 6.856 885 H GLU 109 HN GLU 109 0.254 11.439 5.118 886 HA GLU 109 HA GLU 109 1.778 13.637 4.099 887 1HB GLU 109 HB2 GLU 109 3.311 13.519 6.236 888 2HB GLU 109 HB3 GLU 109 1.914 14.583 6.227 889 1HG GLU 109 HG2 GLU 109 0.629 12.914 7.467 890 2HG GLU 109 HG3 GLU 109 2.015 11.827 7.448 891 H GLU 110 HN GLU 110 2.108 11.999 2.592 892 HA GLU 110 HA GLU 110 3.145 9.472 3.184 893 1HB GLU 110 HB2 GLU 110 3.663 9.363 0.765 894 2HB GLU 110 HB3 GLU 110 2.019 9.871 1.112 895 1HG GLU 110 HG2 GLU 110 2.831 12.240 0.833 896 2HG GLU 110 HG3 GLU 110 4.311 11.549 0.168 897 H GLN 111 HN GLN 111 5.002 8.755 3.687 898 HA GLN 111 HA GLN 111 7.202 8.458 4.028 899 1HB GLN 111 HB2 GLN 111 7.068 9.218 1.480 900 2HB GLN 111 HB3 GLN 111 8.015 10.565 2.101 901 1HG GLN 111 HG2 GLN 111 9.646 8.975 3.013 902 2HG GLN 111 HG3 GLN 111 8.710 7.647 2.338 903 1HE2 GLN 111 HE21 GLN 111 11.433 9.118 1.889 904 2HE2 GLN 111 HE22 GLN 111 11.588 8.952 0.184 905 H GLU 112 HN GLU 112 7.641 9.136 6.026 906 HA GLU 112 HA GLU 112 7.524 11.770 6.957 907 1HB GLU 112 HB3 GLU 112 8.785 10.912 8.907 908 2HB GLU 112 HB2 GLU 112 7.427 9.884 8.475 909 1HG GLU 112 HG3 GLU 112 8.909 8.302 7.425 910 2HG GLU 112 HG2 GLU 112 10.283 9.367 7.705 911 H LYS 113 HN LYS 113 9.951 10.105 5.148 912 HA LYS 113 HA LYS 113 12.192 11.674 5.914 913 1HB LYS 113 HB2 LYS 113 11.860 10.188 3.296 914 2HB LYS 113 HB3 LYS 113 13.366 10.662 4.073 915 1HG LYS 113 HG2 LYS 113 11.450 8.518 4.890 916 2HG LYS 113 HG3 LYS 113 13.164 8.387 4.481 917 1HD LYS 113 HD3 LYS 113 13.761 9.625 6.495 918 2HD LYS 113 HD2 LYS 113 12.051 9.809 6.896 919 1HE LYS 113 HE2 LYS 113 11.882 7.319 6.975 920 2HE LYS 113 HE3 LYS 113 13.631 7.255 6.761 921 1HZ LYS 113 HZ1 LYS 113 12.089 8.022 9.110 922 2HZ LYS 113 HZ2 LYS 113 13.495 8.928 8.802 923 3HZ LYS 113 HZ3 LYS 113 13.599 7.244 8.992 924 H TYR 114 HN TYR 114 9.555 12.146 3.794 925 HA TYR 114 HA TYR 114 10.680 14.074 2.040 926 1HB TYR 114 HB3 TYR 114 8.579 12.780 1.593 927 2HB TYR 114 HB2 TYR 114 7.776 13.741 2.828 928 HD1 TYR 114 HD1 TYR 114 9.912 14.393 -0.174 929 HD2 TYR 114 HD2 TYR 114 6.462 15.429 2.060 930 HE1 TYR 114 HE1 TYR 114 9.346 16.093 -1.856 931 HE2 TYR 114 HE2 TYR 114 5.880 17.127 0.393 932 HH TYR 114 HH TYR 114 6.370 18.015 -1.592 933 H ALA 115 HN ALA 115 9.763 14.117 5.273 934 HA ALA 115 HA ALA 115 9.902 15.655 6.916 935 1HB ALA 115 HB1 ALA 115 11.240 17.023 4.761 936 2HB ALA 115 HB2 ALA 115 10.314 18.154 5.750 937 3HB ALA 115 HB3 ALA 115 11.525 17.116 6.499 938 H ALA 116 HN ALA 116 8.997 18.325 6.941 939 HA ALA 116 HA ALA 116 6.148 17.842 6.867 940 1HB ALA 116 HB1 ALA 116 6.885 20.571 7.453 941 2HB ALA 116 HB2 ALA 116 6.076 19.367 8.461 942 3HB ALA 116 HB3 ALA 116 7.832 19.413 8.400 943 H GLU 117 HN GLU 117 8.506 19.692 5.052 944 HA GLU 117 HA GLU 117 6.588 20.070 2.928 945 1HB GLU 117 HB2 GLU 117 6.861 22.466 2.779 946 2HB GLU 117 HB3 GLU 117 6.197 22.020 4.343 947 1HG GLU 117 HG2 GLU 117 8.407 22.283 5.360 948 2HG GLU 117 HG3 GLU 117 9.070 22.746 3.791 949 H ARG 118 HN ARG 118 7.557 21.090 0.999 950 HA ARG 118 HA ARG 118 10.298 21.474 0.602 951 1HB ARG 118 HB3 ARG 118 10.086 18.873 0.990 952 2HB ARG 118 HB2 ARG 118 9.440 18.872 -0.643 953 1HG ARG 118 HG2 ARG 118 11.632 20.252 -1.142 954 2HG ARG 118 HG3 ARG 118 12.206 19.399 0.297 955 1HD ARG 118 HD3 ARG 118 12.808 18.013 -1.510 956 2HD ARG 118 HD2 ARG 118 11.369 17.266 -0.814 957 HE ARG 118 HE ARG 118 10.565 18.996 -2.872 958 1HH1 ARG 118 HH11 ARG 118 11.707 15.418 -2.872 959 2HH1 ARG 118 HH12 ARG 118 12.890 16.257 -3.835 960 1HH2 ARG 118 HH21 ARG 118 10.913 18.119 -5.380 961 2HH2 ARG 118 HH22 ARG 118 9.815 16.803 -5.055 962 H ASP 119 HN ASP 119 10.733 21.597 -1.806 963 HA ASP 119 HA ASP 119 8.267 22.498 -3.092 964 1HB ASP 119 HB3 ASP 119 10.205 24.075 -2.927 965 2HB ASP 119 HB2 ASP 119 11.119 22.997 -3.983 Start of MODEL 13 1 1H MET 1 HT1 MET 1 20.756 -12.253 1.731 2 2H MET 1 HT2 MET 1 21.207 -12.292 3.401 3 3H MET 1 HT3 MET 1 22.423 -12.230 2.175 4 HA MET 1 HA MET 1 21.646 -10.093 1.479 5 1HB MET 1 HB2 MET 1 19.314 -10.454 2.247 6 2HB MET 1 HB3 MET 1 19.866 -10.329 3.910 7 1HG MET 1 HG2 MET 1 20.543 -8.024 3.512 8 2HG MET 1 HG3 MET 1 20.026 -8.154 1.831 9 1HE MET 1 HE1 MET 1 17.795 -5.674 3.873 10 2HE MET 1 HE2 MET 1 19.296 -5.887 2.962 11 3HE MET 1 HE3 MET 1 17.745 -5.964 2.135 12 H GLY 2 HN GLY 2 23.606 -9.256 1.908 13 1HA GLY 2 HA1 GLY 2 24.907 -9.589 4.426 14 2HA GLY 2 HA2 GLY 2 25.455 -8.550 3.114 15 H ASP 3 HN ASP 3 24.442 -6.442 2.892 16 HA ASP 3 HA ASP 3 24.155 -5.166 5.440 17 1HB ASP 3 HB2 ASP 3 25.172 -4.012 3.466 18 2HB ASP 3 HB3 ASP 3 23.578 -3.945 2.721 19 H THR 4 HN THR 4 22.402 -5.386 6.587 20 HA THR 4 HA THR 4 19.794 -5.542 5.221 21 HB THR 4 HB THR 4 20.340 -6.358 8.071 22 HG1 THR 4 HG1 THR 4 21.818 -7.411 6.511 23 1HG2 THR 4 HG21 THR 4 18.487 -7.639 6.092 24 2HG2 THR 4 HG22 THR 4 17.990 -6.301 7.120 25 3HG2 THR 4 HG23 THR 4 18.509 -7.820 7.843 26 H GLY 5 HN GLY 5 21.786 -3.435 6.745 27 1HA GLY 5 HA2 GLY 5 19.552 -1.986 8.014 28 2HA GLY 5 HA1 GLY 5 21.245 -1.795 8.452 29 H LYS 6 HN LYS 6 20.010 -1.965 5.177 30 HA LYS 6 HA LYS 6 21.045 0.722 4.683 31 1HB LYS 6 HB3 LYS 6 21.716 -1.224 3.241 32 2HB LYS 6 HB2 LYS 6 20.065 -1.258 2.638 33 1HG LYS 6 HG2 LYS 6 21.457 -0.072 1.076 34 2HG LYS 6 HG3 LYS 6 20.357 1.079 1.841 35 1HD LYS 6 HD3 LYS 6 22.191 1.677 3.442 36 2HD LYS 6 HD2 LYS 6 23.273 0.622 2.528 37 1HE LYS 6 HE2 LYS 6 23.686 2.800 1.697 38 2HE LYS 6 HE3 LYS 6 22.671 2.019 0.486 39 1HZ LYS 6 HZ1 LYS 6 21.071 3.505 0.766 40 2HZ LYS 6 HZ2 LYS 6 22.177 4.436 1.640 41 3HZ LYS 6 HZ3 LYS 6 21.111 3.407 2.462 42 H LEU 7 HN LEU 7 18.555 -0.627 2.631 43 HA LEU 7 HA LEU 7 16.522 1.043 3.879 44 1HB LEU 7 HB3 LEU 7 17.425 1.320 1.019 45 2HB LEU 7 HB2 LEU 7 15.906 1.946 1.627 46 HG LEU 7 HG LEU 7 18.586 2.806 2.742 47 1HD1 LEU 7 HD21 LEU 7 17.196 3.550 0.301 48 2HD1 LEU 7 HD22 LEU 7 17.560 4.912 1.342 49 3HD1 LEU 7 HD23 LEU 7 18.861 3.861 0.777 50 1HD2 LEU 7 HD11 LEU 7 17.176 4.728 3.511 51 2HD2 LEU 7 HD12 LEU 7 15.761 3.821 2.978 52 3HD2 LEU 7 HD13 LEU 7 16.783 3.188 4.270 53 H GLY 8 HN GLY 8 14.443 0.816 2.439 54 1HA GLY 8 HA2 GLY 8 13.718 -1.229 0.851 55 2HA GLY 8 HA1 GLY 8 13.927 -2.039 2.398 56 H ARG 9 HN ARG 9 12.582 -1.378 4.188 57 HA ARG 9 HA ARG 9 9.971 -0.432 3.335 58 1HB ARG 9 HB3 ARG 9 9.301 -0.996 5.638 59 2HB ARG 9 HB2 ARG 9 10.065 -2.346 4.808 60 1HG ARG 9 HG2 ARG 9 12.204 -1.542 5.926 61 2HG ARG 9 HG3 ARG 9 11.135 -0.618 6.994 62 1HD ARG 9 HD2 ARG 9 9.965 -2.718 7.599 63 2HD ARG 9 HD3 ARG 9 11.046 -3.613 6.534 64 HE ARG 9 HE ARG 9 11.595 -2.846 9.193 65 1HH1 ARG 9 HH12 ARG 9 13.451 -3.525 6.098 66 2HH1 ARG 9 HH11 ARG 9 14.307 -2.112 6.651 67 1HH2 ARG 9 HH22 ARG 9 13.769 -3.801 9.894 68 2HH2 ARG 9 HH21 ARG 9 15.024 -2.965 9.028 69 H ILE 10 HN ILE 10 9.144 1.561 3.889 70 HA ILE 10 HA ILE 10 10.706 3.249 5.680 71 HB ILE 10 HB ILE 10 11.418 3.725 3.364 72 1HG1 ILE 10 HG13 ILE 10 11.174 5.539 5.229 73 2HG1 ILE 10 HG12 ILE 10 11.521 6.042 3.584 74 1HG2 ILE 10 HG21 ILE 10 9.511 3.206 2.092 75 2HG2 ILE 10 HG22 ILE 10 8.553 4.427 2.942 76 3HG2 ILE 10 HG23 ILE 10 9.858 4.930 1.868 77 1HD1 ILE 10 HD11 ILE 10 8.742 6.057 3.719 78 2HD1 ILE 10 HD12 ILE 10 9.265 6.706 5.277 79 3HD1 ILE 10 HD13 ILE 10 9.815 7.458 3.774 80 H ILE 11 HN ILE 11 7.599 3.009 3.892 81 HA ILE 11 HA ILE 11 6.380 4.748 5.904 82 HB ILE 11 HB ILE 11 4.993 3.519 3.534 83 1HG1 ILE 11 HG13 ILE 11 6.333 6.247 3.688 84 2HG1 ILE 11 HG12 ILE 11 6.988 4.858 2.825 85 1HG2 ILE 11 HG21 ILE 11 3.190 4.662 4.224 86 2HG2 ILE 11 HG22 ILE 11 4.060 4.971 5.730 87 3HG2 ILE 11 HG23 ILE 11 4.121 6.153 4.420 88 1HD1 ILE 11 HD11 ILE 11 5.841 5.425 1.057 89 2HD1 ILE 11 HD12 ILE 11 4.324 5.262 1.941 90 3HD1 ILE 11 HD13 ILE 11 5.173 6.817 1.904 91 H ARG 12 HN ARG 12 4.580 2.071 4.447 92 HA ARG 12 HA ARG 12 4.636 0.576 6.955 93 1HB ARG 12 HB2 ARG 12 2.207 2.021 5.951 94 2HB ARG 12 HB3 ARG 12 2.032 0.531 6.872 95 1HG ARG 12 HG3 ARG 12 3.656 1.740 8.520 96 2HG ARG 12 HG2 ARG 12 3.018 3.184 7.736 97 1HD ARG 12 HD2 ARG 12 1.683 2.759 9.675 98 2HD ARG 12 HD3 ARG 12 0.700 2.385 8.258 99 HE ARG 12 HE ARG 12 1.874 0.005 8.994 100 1HH1 ARG 12 HH12 ARG 12 -0.634 2.170 10.547 101 2HH1 ARG 12 HH11 ARG 12 0.226 1.591 11.936 102 1HH2 ARG 12 HH21 ARG 12 0.091 -1.529 9.999 103 2HH2 ARG 12 HH22 ARG 12 0.170 -1.012 11.671 104 H HIS 13 HN HIS 13 2.981 -1.333 6.793 105 HA HIS 13 HA HIS 13 2.437 -2.270 4.172 106 1HB HIS 13 HB2 HIS 13 3.924 -4.273 4.247 107 2HB HIS 13 HB3 HIS 13 4.790 -2.759 4.068 108 HD1 HIS 13 HD1 HIS 13 6.523 -4.951 4.947 109 HD2 HIS 13 HD2 HIS 13 4.264 -2.791 7.696 110 HE1 HIS 13 HE1 HIS 13 7.621 -5.308 7.167 111 HE2 HIS 13 HE2 HIS 13 6.127 -4.171 8.848 112 H ASP 14 HN ASP 14 0.524 -3.134 4.455 113 HA ASP 14 HA ASP 14 0.190 -5.196 6.487 114 1HB ASP 14 HB2 ASP 14 -1.264 -2.595 6.520 115 2HB ASP 14 HB3 ASP 14 -2.203 -4.052 6.857 116 H ALA 15 HN ALA 15 -1.911 -6.378 6.227 117 HA ALA 15 HA ALA 15 -2.361 -6.695 3.360 118 1HB ALA 15 HB1 ALA 15 -3.384 -8.649 5.359 119 2HB ALA 15 HB2 ALA 15 -2.768 -8.909 3.729 120 3HB ALA 15 HB3 ALA 15 -1.645 -8.589 5.047 121 H PHE 16 HN PHE 16 -4.239 -6.225 2.426 122 HA PHE 16 HA PHE 16 -6.630 -5.887 4.129 123 1HB PHE 16 HB2 PHE 16 -5.795 -4.184 1.753 124 2HB PHE 16 HB3 PHE 16 -7.386 -4.110 2.490 125 HD1 PHE 16 HD1 PHE 16 -3.772 -3.618 3.328 126 HD2 PHE 16 HD2 PHE 16 -7.816 -2.684 4.158 127 HE1 PHE 16 HE1 PHE 16 -3.046 -1.949 4.974 128 HE2 PHE 16 HE2 PHE 16 -7.121 -0.957 5.768 129 HZ PHE 16 HZ PHE 16 -4.709 -0.602 6.198 130 H GLN 17 HN GLN 17 -8.552 -6.650 3.287 131 HA GLN 17 HA GLN 17 -8.386 -8.040 0.677 132 1HB GLN 17 HB3 GLN 17 -8.252 -9.667 2.522 133 2HB GLN 17 HB2 GLN 17 -9.759 -9.052 3.181 134 1HG GLN 17 HG2 GLN 17 -10.991 -9.866 1.303 135 2HG GLN 17 HG3 GLN 17 -9.508 -10.284 0.449 136 1HE2 GLN 17 HE21 GLN 17 -8.972 -12.318 0.519 137 2HE2 GLN 17 HE22 GLN 17 -9.183 -13.380 1.858 138 H VAL 18 HN VAL 18 -9.192 -6.072 -0.071 139 HA VAL 18 HA VAL 18 -12.089 -5.829 0.221 140 HB VAL 18 HB VAL 18 -11.612 -3.294 0.029 141 1HG1 VAL 18 HG21 VAL 18 -11.129 -4.806 2.583 142 2HG1 VAL 18 HG22 VAL 18 -11.658 -3.131 2.424 143 3HG1 VAL 18 HG23 VAL 18 -12.702 -4.436 1.878 144 1HG2 VAL 18 HG11 VAL 18 -9.134 -3.771 -0.301 145 2HG2 VAL 18 HG12 VAL 18 -9.575 -2.536 0.876 146 3HG2 VAL 18 HG13 VAL 18 -9.097 -4.140 1.425 147 H TRP 19 HN TRP 19 -13.135 -4.629 -1.379 148 HA TRP 19 HA TRP 19 -12.848 -5.494 -3.878 149 1HB TRP 19 HB2 TRP 19 -13.945 -2.790 -3.135 150 2HB TRP 19 HB3 TRP 19 -14.416 -3.799 -4.499 151 HD1 TRP 19 HD1 TRP 19 -15.918 -5.982 -3.939 152 HE1 TRP 19 HE1 TRP 19 -17.444 -6.528 -1.913 153 HE3 TRP 19 HE3 TRP 19 -14.138 -2.555 -0.622 154 HZ2 TRP 19 HZ2 TRP 19 -17.841 -5.589 0.698 155 HZ3 TRP 19 HZ3 TRP 19 -15.144 -2.441 1.636 156 HH2 TRP 19 HH2 TRP 19 -16.961 -3.948 2.281 157 H GLU 20 HN GLU 20 -11.659 -5.196 -5.563 158 HA GLU 20 HA GLU 20 -9.553 -3.217 -5.543 159 1HB GLU 20 HB2 GLU 20 -9.273 -5.645 -6.205 160 2HB GLU 20 HB3 GLU 20 -10.114 -5.231 -7.693 161 1HG GLU 20 HG3 GLU 20 -8.391 -3.844 -8.421 162 2HG GLU 20 HG2 GLU 20 -7.678 -3.747 -6.811 163 H GLY 21 HN GLY 21 -12.317 -2.532 -5.841 164 1HA GLY 21 HA2 GLY 21 -12.659 -0.315 -7.088 165 2HA GLY 21 HA1 GLY 21 -12.421 -1.321 -8.523 166 H ASP 22 HN ASP 22 -14.429 -1.343 -9.412 167 HA ASP 22 HA ASP 22 -16.684 -2.021 -7.682 168 1HB ASP 22 HB2 ASP 22 -16.506 -1.175 -10.565 169 2HB ASP 22 HB3 ASP 22 -17.968 -1.900 -9.909 170 H GLU 23 HN GLU 23 -14.370 -3.748 -8.419 171 HA GLU 23 HA GLU 23 -15.737 -6.047 -9.634 172 1HB GLU 23 HB2 GLU 23 -12.769 -5.540 -9.255 173 2HB GLU 23 HB3 GLU 23 -13.483 -6.897 -10.111 174 1HG GLU 23 HG3 GLU 23 -14.294 -5.437 -11.833 175 2HG GLU 23 HG2 GLU 23 -13.764 -4.017 -10.931 176 HA PRO 24 HA PRO 24 -15.763 -8.611 -6.002 177 1HB PRO 24 HB2 PRO 24 -13.458 -10.138 -7.148 178 2HB PRO 24 HB3 PRO 24 -14.963 -10.741 -6.445 179 1HG PRO 24 HG2 PRO 24 -14.601 -10.666 -9.105 180 2HG PRO 24 HG3 PRO 24 -16.183 -10.318 -8.385 181 1HD PRO 24 HD2 PRO 24 -14.240 -8.474 -9.661 182 2HD PRO 24 HD3 PRO 24 -16.002 -8.327 -9.488 183 HA PRO 25 HA PRO 25 -12.546 -7.024 -3.330 184 1HB PRO 25 HB3 PRO 25 -13.006 -8.569 -1.169 185 2HB PRO 25 HB2 PRO 25 -14.059 -7.237 -1.638 186 1HG PRO 25 HG3 PRO 25 -14.397 -10.174 -2.140 187 2HG PRO 25 HG2 PRO 25 -15.598 -8.997 -1.577 188 1HD PRO 25 HD2 PRO 25 -15.442 -9.810 -4.154 189 2HD PRO 25 HD3 PRO 25 -15.962 -8.174 -3.703 190 H LYS 26 HN LYS 26 -10.441 -7.563 -2.837 191 HA LYS 26 HA LYS 26 -9.663 -10.382 -3.075 192 1HB LYS 26 HB2 LYS 26 -9.557 -9.284 -5.322 193 2HB LYS 26 HB3 LYS 26 -8.378 -8.164 -4.668 194 1HG LYS 26 HG3 LYS 26 -6.925 -10.121 -4.187 195 2HG LYS 26 HG2 LYS 26 -8.058 -11.117 -5.111 196 1HD LYS 26 HD2 LYS 26 -6.610 -8.678 -6.145 197 2HD LYS 26 HD3 LYS 26 -6.173 -10.344 -6.507 198 1HE LYS 26 HE3 LYS 26 -8.160 -10.672 -7.767 199 2HE LYS 26 HE2 LYS 26 -8.866 -9.171 -7.178 200 1HZ LYS 26 HZ1 LYS 26 -7.912 -9.191 -9.495 201 2HZ LYS 26 HZ2 LYS 26 -6.381 -9.161 -8.762 202 3HZ LYS 26 HZ3 LYS 26 -7.485 -7.904 -8.480 203 H LEU 27 HN LEU 27 -7.748 -10.920 -2.050 204 HA LEU 27 HA LEU 27 -6.851 -9.211 0.048 205 1HB LEU 27 HB3 LEU 27 -6.828 -11.608 0.409 206 2HB LEU 27 HB2 LEU 27 -5.800 -11.866 -1.000 207 HG LEU 27 HG LEU 27 -3.962 -10.718 0.141 208 1HD1 LEU 27 HD21 LEU 27 -4.538 -10.672 2.808 209 2HD1 LEU 27 HD22 LEU 27 -4.517 -9.265 1.730 210 3HD1 LEU 27 HD23 LEU 27 -6.047 -10.072 2.093 211 1HD2 LEU 27 HD11 LEU 27 -4.929 -13.265 0.632 212 2HD2 LEU 27 HD12 LEU 27 -3.312 -12.666 0.995 213 3HD2 LEU 27 HD13 LEU 27 -4.556 -12.630 2.238 214 H ARG 28 HN ARG 28 -5.311 -7.766 0.010 215 HA ARG 28 HA ARG 28 -3.193 -7.950 -1.984 216 1HB ARG 28 HB3 ARG 28 -5.173 -5.751 -1.691 217 2HB ARG 28 HB2 ARG 28 -3.494 -5.275 -1.906 218 1HG ARG 28 HG2 ARG 28 -4.272 -5.342 -4.078 219 2HG ARG 28 HG3 ARG 28 -3.565 -6.943 -3.878 220 1HD ARG 28 HD2 ARG 28 -5.754 -6.991 -5.013 221 2HD ARG 28 HD3 ARG 28 -5.737 -7.901 -3.501 222 HE ARG 28 HE ARG 28 -7.408 -6.539 -2.774 223 1HH1 ARG 28 HH12 ARG 28 -6.384 -4.761 -5.801 224 2HH1 ARG 28 HH11 ARG 28 -5.672 -3.654 -4.661 225 1HH2 ARG 28 HH22 ARG 28 -8.827 -4.710 -2.859 226 2HH2 ARG 28 HH21 ARG 28 -8.209 -3.240 -3.547 227 H TYR 29 HN TYR 29 -1.286 -7.634 -1.106 228 HA TYR 29 HA TYR 29 -1.026 -6.779 1.655 229 1HB TYR 29 HB3 TYR 29 0.929 -7.801 -0.395 230 2HB TYR 29 HB2 TYR 29 1.414 -7.283 1.219 231 HD1 TYR 29 HD1 TYR 29 -0.032 -8.452 3.148 232 HD2 TYR 29 HD2 TYR 29 0.544 -10.027 -0.760 233 HE1 TYR 29 HE1 TYR 29 -0.490 -10.707 4.019 234 HE2 TYR 29 HE2 TYR 29 0.072 -12.297 0.094 235 HH TYR 29 HH TYR 29 -1.113 -12.865 3.332 236 H VAL 30 HN VAL 30 -1.633 -4.633 1.500 237 HA VAL 30 HA VAL 30 -0.470 -2.814 -0.352 238 HB VAL 30 HB VAL 30 -1.895 -2.231 2.225 239 1HG1 VAL 30 HG21 VAL 30 -0.898 -0.542 0.021 240 2HG1 VAL 30 HG22 VAL 30 -2.510 -0.170 0.637 241 3HG1 VAL 30 HG23 VAL 30 -1.125 -0.168 1.728 242 1HG2 VAL 30 HG11 VAL 30 -3.172 -3.660 0.606 243 2HG2 VAL 30 HG12 VAL 30 -3.940 -2.136 1.034 244 3HG2 VAL 30 HG13 VAL 30 -3.139 -2.310 -0.534 245 H PHE 31 HN PHE 31 1.719 -2.942 -0.211 246 HA PHE 31 HA PHE 31 3.004 -2.100 2.311 247 1HB PHE 31 HB3 PHE 31 4.188 -3.469 -0.134 248 2HB PHE 31 HB2 PHE 31 5.118 -2.967 1.268 249 HD1 PHE 31 HD1 PHE 31 5.753 -5.474 0.832 250 HD2 PHE 31 HD2 PHE 31 2.043 -4.161 2.441 251 HE1 PHE 31 HE1 PHE 31 5.370 -7.707 1.861 252 HE2 PHE 31 HE2 PHE 31 1.727 -6.335 3.528 253 HZ PHE 31 HZ PHE 31 3.377 -8.105 3.230 254 H LEU 32 HN LEU 32 3.590 0.047 2.355 255 HA LEU 32 HA LEU 32 3.935 1.327 -0.268 256 1HB LEU 32 HB2 LEU 32 3.975 3.093 2.061 257 2HB LEU 32 HB3 LEU 32 3.094 3.213 0.550 258 HG LEU 32 HG LEU 32 2.201 1.468 2.851 259 1HD1 LEU 32 HD11 LEU 32 1.479 3.329 3.855 260 2HD1 LEU 32 HD12 LEU 32 2.067 4.336 2.540 261 3HD1 LEU 32 HD13 LEU 32 0.453 3.647 2.458 262 1HD2 LEU 32 HD21 LEU 32 0.073 2.297 1.229 263 2HD2 LEU 32 HD22 LEU 32 1.341 1.817 0.114 264 3HD2 LEU 32 HD23 LEU 32 0.757 0.684 1.333 265 H PHE 33 HN PHE 33 5.867 2.051 -0.933 266 HA PHE 33 HA PHE 33 8.005 2.186 1.086 267 1HB PHE 33 HB2 PHE 33 8.289 1.165 -1.747 268 2HB PHE 33 HB3 PHE 33 9.603 1.327 -0.588 269 HD1 PHE 33 HD1 PHE 33 8.941 0.159 1.774 270 HD2 PHE 33 HD2 PHE 33 7.494 -0.959 -2.078 271 HE1 PHE 33 HE1 PHE 33 8.463 -2.093 2.600 272 HE2 PHE 33 HE2 PHE 33 7.014 -3.232 -1.230 273 HZ PHE 33 HZ PHE 33 7.505 -3.793 1.103 274 H ARG 34 HN ARG 34 10.054 3.075 -0.492 275 HA ARG 34 HA ARG 34 9.494 5.856 -0.521 276 1HB ARG 34 HB3 ARG 34 11.644 5.058 0.190 277 2HB ARG 34 HB2 ARG 34 11.947 4.322 -1.377 278 1HG ARG 34 HG3 ARG 34 11.966 6.590 -2.366 279 2HG ARG 34 HG2 ARG 34 11.761 7.259 -0.742 280 1HD ARG 34 HD2 ARG 34 13.826 6.055 -0.067 281 2HD ARG 34 HD3 ARG 34 14.054 5.569 -1.749 282 HE ARG 34 HE ARG 34 13.780 8.329 -1.756 283 1HH1 ARG 34 HH12 ARG 34 16.557 6.073 -1.447 284 2HH1 ARG 34 HH11 ARG 34 17.051 6.915 -0.008 285 1HH2 ARG 34 HH21 ARG 34 16.357 9.290 -2.293 286 2HH2 ARG 34 HH22 ARG 34 16.451 9.597 -0.581 287 H ASN 35 HN ASN 35 10.443 3.613 -3.141 288 HA ASN 35 HA ASN 35 10.194 5.649 -5.134 289 1HB ASN 35 HB3 ASN 35 11.649 3.633 -5.416 290 2HB ASN 35 HB2 ASN 35 10.204 2.628 -5.467 291 1HD2 ASN 35 HD21 ASN 35 9.713 2.024 -7.450 292 2HD2 ASN 35 HD22 ASN 35 10.092 2.890 -8.898 293 H LYS 36 HN LYS 36 8.098 2.939 -4.118 294 HA LYS 36 HA LYS 36 5.741 4.384 -4.836 295 1HB LYS 36 HB2 LYS 36 4.925 2.816 -6.551 296 2HB LYS 36 HB3 LYS 36 6.327 3.739 -7.070 297 1HG LYS 36 HG3 LYS 36 7.760 1.814 -6.664 298 2HG LYS 36 HG2 LYS 36 6.342 0.879 -6.165 299 1HD LYS 36 HD2 LYS 36 5.334 1.336 -8.405 300 2HD LYS 36 HD3 LYS 36 6.847 2.120 -8.861 301 1HE LYS 36 HE3 LYS 36 8.070 0.062 -8.480 302 2HE LYS 36 HE2 LYS 36 6.586 -0.756 -8.006 303 1HZ LYS 36 HZ1 LYS 36 5.765 -0.183 -10.314 304 2HZ LYS 36 HZ2 LYS 36 6.998 -1.334 -10.245 305 3HZ LYS 36 HZ3 LYS 36 7.348 0.263 -10.697 306 H ILE 37 HN ILE 37 3.817 2.762 -4.789 307 HA ILE 37 HA ILE 37 4.065 1.274 -2.290 308 HB ILE 37 HB ILE 37 1.635 1.867 -3.981 309 1HG1 ILE 37 HG13 ILE 37 2.537 3.103 -1.388 310 2HG1 ILE 37 HG12 ILE 37 2.626 3.865 -2.971 311 1HG2 ILE 37 HG21 ILE 37 0.301 0.779 -2.480 312 2HG2 ILE 37 HG22 ILE 37 1.751 -0.203 -2.315 313 3HG2 ILE 37 HG23 ILE 37 1.401 1.051 -1.127 314 1HD1 ILE 37 HD11 ILE 37 0.701 4.799 -2.043 315 2HD1 ILE 37 HD12 ILE 37 0.093 3.495 -3.066 316 3HD1 ILE 37 HD13 ILE 37 0.203 3.259 -1.323 317 H MET 38 HN MET 38 4.131 -0.950 -2.266 318 HA MET 38 HA MET 38 3.627 -2.406 -4.793 319 1HB MET 38 HB2 MET 38 5.487 -2.916 -2.483 320 2HB MET 38 HB3 MET 38 5.132 -4.155 -3.667 321 1HG MET 38 HG2 MET 38 6.061 -2.737 -5.413 322 2HG MET 38 HG3 MET 38 6.311 -1.443 -4.243 323 1HE MET 38 HE1 MET 38 8.813 -1.104 -4.841 324 2HE MET 38 HE2 MET 38 9.982 -2.422 -4.965 325 3HE MET 38 HE3 MET 38 8.656 -2.309 -6.124 326 H PHE 39 HN PHE 39 1.650 -3.357 -4.711 327 HA PHE 39 HA PHE 39 1.037 -4.709 -2.198 328 1HB PHE 39 HB3 PHE 39 -1.278 -4.111 -2.258 329 2HB PHE 39 HB2 PHE 39 -0.293 -2.661 -2.347 330 HD1 PHE 39 HD1 PHE 39 0.255 -1.948 -4.885 331 HD2 PHE 39 HD2 PHE 39 -3.145 -4.145 -3.583 332 HE1 PHE 39 HE1 PHE 39 -0.999 -1.220 -6.900 333 HE2 PHE 39 HE2 PHE 39 -4.410 -3.407 -5.568 334 HZ PHE 39 HZ PHE 39 -3.313 -1.949 -7.222 335 H THR 40 HN THR 40 1.818 -6.613 -3.033 336 HA THR 40 HA THR 40 0.890 -7.773 -5.442 337 HB THR 40 HB THR 40 1.911 -9.874 -4.334 338 HG1 THR 40 HG1 THR 40 1.718 -8.817 -2.192 339 1HG2 THR 40 HG21 THR 40 3.775 -9.371 -5.367 340 2HG2 THR 40 HG22 THR 40 4.116 -8.033 -4.265 341 3HG2 THR 40 HG23 THR 40 3.087 -7.780 -5.682 342 H GLU 41 HN GLU 41 -0.773 -9.240 -5.788 343 HA GLU 41 HA GLU 41 -2.491 -9.856 -3.484 344 1HB GLU 41 HB3 GLU 41 -4.419 -9.420 -4.799 345 2HB GLU 41 HB2 GLU 41 -3.345 -8.047 -4.960 346 1HG GLU 41 HG2 GLU 41 -3.335 -10.242 -6.999 347 2HG GLU 41 HG3 GLU 41 -4.564 -8.981 -7.048 348 H GLN 42 HN GLN 42 -4.093 -11.539 -3.969 349 HA GLN 42 HA GLN 42 -4.271 -13.374 -5.904 350 1HB GLN 42 HB2 GLN 42 -1.780 -13.839 -4.451 351 2HB GLN 42 HB3 GLN 42 -2.836 -15.239 -4.543 352 1HG GLN 42 HG3 GLN 42 -1.946 -13.640 -6.909 353 2HG GLN 42 HG2 GLN 42 -1.204 -15.149 -6.389 354 1HE2 GLN 42 HE21 GLN 42 -3.262 -13.905 -8.595 355 2HE2 GLN 42 HE22 GLN 42 -4.220 -15.321 -8.891 356 H ASP 43 HN ASP 43 -6.251 -13.477 -5.133 357 HA ASP 43 HA ASP 43 -6.707 -15.150 -2.812 358 1HB ASP 43 HB2 ASP 43 -6.840 -12.930 -1.913 359 2HB ASP 43 HB3 ASP 43 -7.902 -12.403 -3.217 360 H ALA 44 HN ALA 44 -7.996 -16.738 -3.377 361 HA ALA 44 HA ALA 44 -9.864 -16.346 -5.613 362 1HB ALA 44 HB1 ALA 44 -8.798 -18.189 -6.320 363 2HB ALA 44 HB2 ALA 44 -8.183 -18.564 -4.708 364 3HB ALA 44 HB3 ALA 44 -9.827 -19.056 -5.160 365 H SER 45 HN SER 45 -9.633 -17.067 -2.239 366 HA SER 45 HA SER 45 -12.550 -17.056 -1.985 367 1HB SER 45 HB3 SER 45 -10.800 -19.100 -0.580 368 2HB SER 45 HB2 SER 45 -12.560 -18.952 -0.488 369 HG SER 45 HG SER 45 -12.757 -19.614 -2.564 370 H THR 46 HN THR 46 -10.560 -17.891 0.770 371 HA THR 46 HA THR 46 -10.715 -15.101 1.698 372 HB THR 46 HB THR 46 -10.747 -16.345 4.031 373 HG1 THR 46 HG1 THR 46 -10.742 -18.430 3.511 374 1HG2 THR 46 HG21 THR 46 -12.524 -14.837 3.253 375 2HG2 THR 46 HG22 THR 46 -13.168 -16.250 4.094 376 3HG2 THR 46 HG23 THR 46 -13.222 -16.167 2.336 377 H SER 47 HN SER 47 -8.630 -14.978 0.662 378 HA SER 47 HA SER 47 -6.392 -14.709 0.749 379 1HB SER 47 HB3 SER 47 -6.476 -15.543 3.645 380 2HB SER 47 HB2 SER 47 -5.299 -14.495 2.854 381 HG SER 47 HG SER 47 -6.569 -13.025 3.627 382 HA PRO 48 HA PRO 48 -5.697 -19.480 0.999 383 1HB PRO 48 HB2 PRO 48 -6.308 -19.665 -1.848 384 2HB PRO 48 HB3 PRO 48 -6.854 -20.684 -0.503 385 1HG PRO 48 HG2 PRO 48 -8.517 -18.998 -1.769 386 2HG PRO 48 HG3 PRO 48 -8.654 -19.305 -0.023 387 1HD PRO 48 HD2 PRO 48 -7.417 -16.970 -1.418 388 2HD PRO 48 HD3 PRO 48 -8.480 -16.983 0.001 389 HA PRO 49 HA PRO 49 -2.380 -18.918 -2.333 390 1HB PRO 49 HB3 PRO 49 -2.872 -16.693 -4.103 391 2HB PRO 49 HB2 PRO 49 -2.812 -18.409 -4.503 392 1HG PRO 49 HG3 PRO 49 -5.102 -16.886 -4.584 393 2HG PRO 49 HG2 PRO 49 -5.082 -18.646 -4.409 394 1HD PRO 49 HD3 PRO 49 -5.419 -16.503 -2.322 395 2HD PRO 49 HD2 PRO 49 -6.235 -18.079 -2.467 396 H SER 50 HN SER 50 -3.778 -15.827 -1.376 397 HA SER 50 HA SER 50 -2.943 -14.147 -0.131 398 1HB SER 50 HB2 SER 50 -0.249 -15.525 -0.178 399 2HB SER 50 HB3 SER 50 -0.742 -14.200 0.873 400 HG SER 50 HG SER 50 -1.968 -16.763 0.828 401 H TYR 51 HN TYR 51 0.013 -14.819 -2.048 402 HA TYR 51 HA TYR 51 -0.789 -12.735 -3.882 403 1HB TYR 51 HB2 TYR 51 0.929 -11.174 -3.496 404 2HB TYR 51 HB3 TYR 51 0.365 -11.597 -1.888 405 HD1 TYR 51 HD1 TYR 51 1.689 -13.664 -0.823 406 HD2 TYR 51 HD2 TYR 51 3.219 -11.048 -3.787 407 HE1 TYR 51 HE1 TYR 51 3.979 -14.240 -0.135 408 HE2 TYR 51 HE2 TYR 51 5.540 -11.583 -3.079 409 HH TYR 51 HH TYR 51 6.321 -12.925 -0.270 410 H THR 52 HN THR 52 0.341 -12.674 -5.774 411 HA THR 52 HA THR 52 2.615 -14.360 -6.281 412 HB THR 52 HB THR 52 -0.062 -14.990 -7.550 413 HG1 THR 52 HG1 THR 52 1.062 -15.969 -5.404 414 1HG2 THR 52 HG21 THR 52 0.992 -16.697 -8.853 415 2HG2 THR 52 HG22 THR 52 2.571 -16.302 -8.176 416 3HG2 THR 52 HG23 THR 52 1.741 -15.145 -9.208 417 H HIS 53 HN HIS 53 -0.038 -12.410 -7.500 418 HA HIS 53 HA HIS 53 1.447 -11.576 -9.827 419 1HB HIS 53 HB3 HIS 53 -0.927 -11.732 -10.062 420 2HB HIS 53 HB2 HIS 53 -1.213 -10.717 -8.657 421 HD1 HIS 53 HD1 HIS 53 -0.669 -8.131 -8.984 422 HD2 HIS 53 HD2 HIS 53 -0.787 -10.419 -12.454 423 HE1 HIS 53 HE1 HIS 53 -0.856 -6.463 -10.888 424 HE2 HIS 53 HE2 HIS 53 -1.129 -7.895 -12.961 425 H TYR 54 HN TYR 54 2.563 -9.662 -10.075 426 HA TYR 54 HA TYR 54 3.227 -8.306 -7.571 427 1HB TYR 54 HB3 TYR 54 4.980 -9.216 -9.158 428 2HB TYR 54 HB2 TYR 54 4.527 -7.930 -10.264 429 HD1 TYR 54 HD1 TYR 54 5.503 -8.336 -6.679 430 HD2 TYR 54 HD2 TYR 54 5.820 -6.020 -10.242 431 HE1 TYR 54 HE1 TYR 54 7.115 -6.854 -5.556 432 HE2 TYR 54 HE2 TYR 54 7.439 -4.518 -9.118 433 HH TYR 54 HH TYR 54 8.058 -4.712 -5.689 434 H SER 55 HN SER 55 1.581 -6.849 -7.200 435 HA SER 55 HA SER 55 0.986 -4.958 -9.392 436 1HB SER 55 HB2 SER 55 -0.860 -6.212 -8.165 437 2HB SER 55 HB3 SER 55 -0.499 -5.220 -6.757 438 HG SER 55 HG SER 55 -2.212 -4.332 -7.982 439 H SER 56 HN SER 56 1.095 -2.701 -9.008 440 HA SER 56 HA SER 56 2.319 -1.729 -6.573 441 1HB SER 56 HB3 SER 56 3.719 -1.488 -9.259 442 2HB SER 56 HB2 SER 56 4.215 -0.701 -7.764 443 HG SER 56 HG SER 56 3.936 -3.261 -7.219 444 H ILE 57 HN ILE 57 2.238 0.477 -6.358 445 HA ILE 57 HA ILE 57 0.584 1.946 -8.264 446 HB ILE 57 HB ILE 57 0.537 2.011 -5.271 447 1HG1 ILE 57 HG13 ILE 57 -0.900 0.326 -6.442 448 2HG1 ILE 57 HG12 ILE 57 -1.807 1.481 -5.470 449 1HG2 ILE 57 HG21 ILE 57 -1.374 3.824 -6.026 450 2HG2 ILE 57 HG22 ILE 57 0.238 4.253 -5.434 451 3HG2 ILE 57 HG23 ILE 57 -0.079 4.161 -7.175 452 1HD1 ILE 57 HD11 ILE 57 -1.441 2.103 -8.346 453 2HD1 ILE 57 HD12 ILE 57 -2.541 0.783 -7.905 454 3HD1 ILE 57 HD13 ILE 57 -2.807 2.403 -7.264 455 H ARG 58 HN ARG 58 2.168 2.975 -9.306 456 HA ARG 58 HA ARG 58 4.569 3.940 -8.337 457 1HB ARG 58 HB2 ARG 58 4.845 4.591 -10.469 458 2HB ARG 58 HB3 ARG 58 3.177 4.116 -10.777 459 1HG ARG 58 HG2 ARG 58 2.896 6.622 -9.718 460 2HG ARG 58 HG3 ARG 58 4.403 6.752 -10.621 461 1HD ARG 58 HD3 ARG 58 3.100 5.603 -12.536 462 2HD ARG 58 HD2 ARG 58 1.665 6.115 -11.643 463 HE ARG 58 HE ARG 58 2.022 8.252 -12.356 464 1HH1 ARG 58 HH11 ARG 58 4.610 6.445 -13.798 465 2HH1 ARG 58 HH12 ARG 58 5.800 7.690 -13.556 466 1HH2 ARG 58 HH22 ARG 58 3.670 9.630 -14.358 467 2HH2 ARG 58 HH21 ARG 58 4.389 10.123 -12.840 468 H LEU 59 HN LEU 59 5.143 5.473 -6.963 469 HA LEU 59 HA LEU 59 3.168 7.094 -5.680 470 1HB LEU 59 HB2 LEU 59 5.534 6.041 -4.908 471 2HB LEU 59 HB3 LEU 59 6.058 7.669 -5.284 472 HG LEU 59 HG LEU 59 4.037 8.329 -3.717 473 1HD1 LEU 59 HD11 LEU 59 4.733 5.606 -2.662 474 2HD1 LEU 59 HD12 LEU 59 3.589 6.750 -1.960 475 3HD1 LEU 59 HD13 LEU 59 3.241 5.987 -3.516 476 1HD2 LEU 59 HD21 LEU 59 5.543 8.340 -1.821 477 2HD2 LEU 59 HD22 LEU 59 6.617 7.196 -2.631 478 3HD2 LEU 59 HD23 LEU 59 6.393 8.820 -3.289 479 H ASP 60 HN ASP 60 5.176 7.491 -8.421 480 HA ASP 60 HA ASP 60 5.747 10.204 -8.325 481 1HB ASP 60 HB3 ASP 60 6.706 8.625 -9.975 482 2HB ASP 60 HB2 ASP 60 5.127 8.511 -10.745 483 H LYS 61 HN LYS 61 2.865 8.707 -9.905 484 HA LYS 61 HA LYS 61 1.547 11.287 -9.484 485 1HB LYS 61 HB3 LYS 61 1.934 9.855 -12.070 486 2HB LYS 61 HB2 LYS 61 0.430 10.730 -11.814 487 1HG LYS 61 HG3 LYS 61 1.972 12.707 -11.153 488 2HG LYS 61 HG2 LYS 61 3.213 11.789 -12.014 489 1HD LYS 61 HD3 LYS 61 1.892 11.785 -14.012 490 2HD LYS 61 HD2 LYS 61 0.527 12.545 -13.198 491 1HE LYS 61 HE3 LYS 61 1.904 14.558 -12.824 492 2HE LYS 61 HE2 LYS 61 3.273 13.787 -13.629 493 1HZ LYS 61 HZ1 LYS 61 2.479 14.616 -15.509 494 2HZ LYS 61 HZ2 LYS 61 1.057 15.155 -14.745 495 3HZ LYS 61 HZ3 LYS 61 1.161 13.580 -15.374 496 H TYR 62 HN TYR 62 0.575 10.048 -7.697 497 HA TYR 62 HA TYR 62 -1.931 8.904 -8.643 498 1HB TYR 62 HB3 TYR 62 -1.836 6.894 -7.542 499 2HB TYR 62 HB2 TYR 62 -0.135 7.065 -7.957 500 HD1 TYR 62 HD1 TYR 62 -2.546 6.850 -5.318 501 HD2 TYR 62 HD2 TYR 62 1.493 7.826 -6.196 502 HE1 TYR 62 HE1 TYR 62 -2.024 6.667 -2.930 503 HE2 TYR 62 HE2 TYR 62 2.062 7.633 -3.796 504 HH TYR 62 HH TYR 62 0.357 7.916 -1.474 505 H ASN 63 HN ASN 63 -3.669 9.341 -7.224 506 HA ASN 63 HA ASN 63 -2.918 11.187 -5.031 507 1HB ASN 63 HB2 ASN 63 -4.175 12.169 -6.984 508 2HB ASN 63 HB3 ASN 63 -5.550 11.205 -6.464 509 1HD2 ASN 63 HD21 ASN 63 -4.190 14.179 -6.279 510 2HD2 ASN 63 HD22 ASN 63 -4.826 14.695 -4.758 511 H ILE 64 HN ILE 64 -3.082 10.179 -3.175 512 HA ILE 64 HA ILE 64 -5.157 8.146 -2.804 513 HB ILE 64 HB ILE 64 -2.736 7.657 -2.169 514 1HG1 ILE 64 HG12 ILE 64 -4.670 7.406 0.120 515 2HG1 ILE 64 HG13 ILE 64 -4.782 6.415 -1.327 516 1HG2 ILE 64 HG21 ILE 64 -2.184 8.475 0.198 517 2HG2 ILE 64 HG22 ILE 64 -1.953 9.586 -1.153 518 3HG2 ILE 64 HG23 ILE 64 -3.377 9.735 -0.125 519 1HD1 ILE 64 HD11 ILE 64 -3.016 5.152 -0.747 520 2HD1 ILE 64 HD12 ILE 64 -2.182 6.475 0.084 521 3HD1 ILE 64 HD13 ILE 64 -3.537 5.652 0.864 522 H ARG 65 HN ARG 65 -6.785 8.334 -1.333 523 HA ARG 65 HA ARG 65 -6.927 10.744 0.354 524 1HB ARG 65 HB3 ARG 65 -9.030 9.852 -1.624 525 2HB ARG 65 HB2 ARG 65 -9.318 11.030 -0.362 526 1HG ARG 65 HG2 ARG 65 -7.276 11.356 -2.532 527 2HG ARG 65 HG3 ARG 65 -8.904 12.023 -2.587 528 1HD ARG 65 HD2 ARG 65 -6.900 12.677 -0.438 529 2HD ARG 65 HD3 ARG 65 -7.167 13.655 -1.883 530 HE ARG 65 HE ARG 65 -8.747 13.634 0.494 531 1HH1 ARG 65 HH12 ARG 65 -9.015 14.042 -2.994 532 2HH1 ARG 65 HH11 ARG 65 -9.985 15.455 -2.763 533 1HH2 ARG 65 HH21 ARG 65 -11.156 14.425 0.292 534 2HH2 ARG 65 HH22 ARG 65 -10.745 15.933 -0.481 535 H GLN 66 HN GLN 66 -9.374 10.437 1.447 536 HA GLN 66 HA GLN 66 -9.844 7.682 2.120 537 1HB GLN 66 HB2 GLN 66 -9.469 7.910 4.500 538 2HB GLN 66 HB3 GLN 66 -7.986 8.283 3.634 539 1HG GLN 66 HG2 GLN 66 -8.656 10.723 3.861 540 2HG GLN 66 HG3 GLN 66 -9.854 10.164 5.025 541 1HE2 GLN 66 HE21 GLN 66 -9.269 9.959 7.075 542 2HE2 GLN 66 HE22 GLN 66 -7.630 10.067 7.633 543 H HIS 67 HN HIS 67 -11.978 7.377 2.609 544 HA HIS 67 HA HIS 67 -13.646 9.769 2.723 545 1HB HIS 67 HB3 HIS 67 -14.327 6.866 2.319 546 2HB HIS 67 HB2 HIS 67 -15.530 8.132 2.540 547 HD1 HIS 67 HD1 HIS 67 -14.597 10.319 0.726 548 HD2 HIS 67 HD2 HIS 67 -14.224 6.315 -0.281 549 HE1 HIS 67 HE1 HIS 67 -14.490 10.256 -1.773 550 HE2 HIS 67 HE2 HIS 67 -14.418 7.826 -2.365 551 H THR 68 HN THR 68 -13.837 10.578 4.640 552 HA THR 68 HA THR 68 -13.463 9.095 7.022 553 HB THR 68 HB THR 68 -14.458 11.911 6.676 554 HG1 THR 68 HG1 THR 68 -11.804 10.916 6.869 555 1HG2 THR 68 HG21 THR 68 -13.474 12.373 8.798 556 2HG2 THR 68 HG22 THR 68 -12.879 10.721 8.938 557 3HG2 THR 68 HG23 THR 68 -14.618 11.045 8.986 558 H THR 69 HN THR 69 -15.243 7.516 6.672 559 HA THR 69 HA THR 69 -17.897 8.548 7.351 560 HB THR 69 HB THR 69 -17.286 5.623 6.932 561 HG1 THR 69 HG1 THR 69 -17.054 5.852 4.818 562 1HG2 THR 69 HG21 THR 69 -19.497 5.422 6.252 563 2HG2 THR 69 HG22 THR 69 -19.597 7.105 5.756 564 3HG2 THR 69 HG23 THR 69 -19.635 6.697 7.466 565 H ASP 70 HN ASP 70 -18.060 5.642 8.857 566 HA ASP 70 HA ASP 70 -17.260 6.729 11.409 567 1HB ASP 70 HB2 ASP 70 -19.150 5.142 11.260 568 2HB ASP 70 HB3 ASP 70 -18.075 3.930 10.564 569 H GLU 71 HN GLU 71 -16.107 4.606 8.948 570 HA GLU 71 HA GLU 71 -13.482 4.386 10.251 571 1HB GLU 71 HB3 GLU 71 -14.801 2.473 8.310 572 2HB GLU 71 HB2 GLU 71 -13.172 2.308 8.951 573 1HG GLU 71 HG3 GLU 71 -13.992 1.850 11.126 574 2HG GLU 71 HG2 GLU 71 -15.618 2.380 10.697 575 H ASP 72 HN ASP 72 -12.025 5.663 9.173 576 HA ASP 72 HA ASP 72 -12.650 6.838 6.677 577 1HB ASP 72 HB3 ASP 72 -10.023 6.645 8.139 578 2HB ASP 72 HB2 ASP 72 -10.206 7.505 6.613 579 H THR 73 HN THR 73 -12.728 5.942 4.823 580 HA THR 73 HA THR 73 -11.367 3.421 4.298 581 HB THR 73 HB THR 73 -13.267 5.021 2.535 582 HG1 THR 73 HG1 THR 73 -13.821 3.877 4.774 583 1HG2 THR 73 HG21 THR 73 -12.029 3.433 1.257 584 2HG2 THR 73 HG22 THR 73 -13.692 2.856 1.436 585 3HG2 THR 73 HG23 THR 73 -12.390 2.150 2.410 586 H ILE 74 HN ILE 74 -9.317 3.545 3.567 587 HA ILE 74 HA ILE 74 -8.340 5.957 2.314 588 HB ILE 74 HB ILE 74 -7.081 3.376 3.145 589 1HG1 ILE 74 HG12 ILE 74 -5.561 4.966 4.326 590 2HG1 ILE 74 HG13 ILE 74 -6.525 6.293 3.699 591 1HG2 ILE 74 HG21 ILE 74 -4.934 4.288 2.199 592 2HG2 ILE 74 HG22 ILE 74 -6.074 3.644 1.022 593 3HG2 ILE 74 HG23 ILE 74 -5.914 5.396 1.238 594 1HD1 ILE 74 HD11 ILE 74 -7.979 6.126 5.335 595 2HD1 ILE 74 HD12 ILE 74 -8.187 4.387 5.071 596 3HD1 ILE 74 HD13 ILE 74 -6.870 4.979 6.085 597 H VAL 75 HN VAL 75 -8.613 6.347 0.194 598 HA VAL 75 HA VAL 75 -8.884 4.018 -1.575 599 HB VAL 75 HB VAL 75 -10.371 5.362 -2.968 600 1HG1 VAL 75 HG11 VAL 75 -11.604 4.159 -1.409 601 2HG1 VAL 75 HG12 VAL 75 -10.978 5.097 -0.054 602 3HG1 VAL 75 HG13 VAL 75 -12.180 5.806 -1.128 603 1HG2 VAL 75 HG21 VAL 75 -9.400 7.535 -1.283 604 2HG2 VAL 75 HG22 VAL 75 -10.008 7.581 -2.935 605 3HG2 VAL 75 HG23 VAL 75 -11.132 7.559 -1.572 606 H LEU 76 HN LEU 76 -7.696 3.886 -3.403 607 HA LEU 76 HA LEU 76 -5.703 6.013 -3.799 608 1HB LEU 76 HB2 LEU 76 -5.650 3.097 -4.613 609 2HB LEU 76 HB3 LEU 76 -4.477 4.287 -5.151 610 HG LEU 76 HG LEU 76 -3.990 4.703 -2.677 611 1HD1 LEU 76 HD11 LEU 76 -4.507 2.159 -1.708 612 2HD1 LEU 76 HD12 LEU 76 -5.228 3.678 -1.203 613 3HD1 LEU 76 HD13 LEU 76 -6.023 2.698 -2.429 614 1HD2 LEU 76 HD21 LEU 76 -2.684 3.314 -4.450 615 2HD2 LEU 76 HD22 LEU 76 -2.243 3.221 -2.739 616 3HD2 LEU 76 HD23 LEU 76 -3.212 1.941 -3.469 617 H GLN 77 HN GLN 77 -6.288 7.434 -5.224 618 HA GLN 77 HA GLN 77 -7.776 6.566 -7.616 619 1HB GLN 77 HB2 GLN 77 -7.549 9.250 -6.278 620 2HB GLN 77 HB3 GLN 77 -8.458 8.932 -7.748 621 1HG GLN 77 HG2 GLN 77 -9.982 7.493 -6.587 622 2HG GLN 77 HG3 GLN 77 -8.990 7.547 -5.138 623 1HE2 GLN 77 HE21 GLN 77 -11.693 8.691 -6.548 624 2HE2 GLN 77 HE22 GLN 77 -11.960 10.058 -5.519 625 HA PRO 78 HA PRO 78 -3.807 7.413 -9.606 626 1HB PRO 78 HB3 PRO 78 -4.480 6.319 -11.984 627 2HB PRO 78 HB2 PRO 78 -4.031 5.339 -10.579 628 1HG PRO 78 HG2 PRO 78 -6.766 5.959 -11.629 629 2HG PRO 78 HG3 PRO 78 -6.118 4.423 -11.017 630 1HD PRO 78 HD2 PRO 78 -7.688 6.028 -9.493 631 2HD PRO 78 HD3 PRO 78 -6.406 4.981 -8.831 632 H GLN 79 HN GLN 79 -3.294 9.308 -10.492 633 HA GLN 79 HA GLN 79 -5.352 10.814 -11.968 634 1HB GLN 79 HB3 GLN 79 -3.775 12.745 -11.682 635 2HB GLN 79 HB2 GLN 79 -4.352 12.076 -10.163 636 1HG GLN 79 HG2 GLN 79 -2.233 10.827 -9.958 637 2HG GLN 79 HG3 GLN 79 -1.689 11.564 -11.458 638 1HE2 GLN 79 HE21 GLN 79 -3.276 14.014 -10.318 639 2HE2 GLN 79 HE22 GLN 79 -2.009 14.828 -9.472 640 H GLU 80 HN GLU 80 -3.153 8.625 -12.567 641 HA GLU 80 HA GLU 80 -2.525 9.639 -15.253 642 1HB GLU 80 HB2 GLU 80 -0.489 9.804 -13.887 643 2HB GLU 80 HB3 GLU 80 -0.676 8.129 -13.394 644 1HG GLU 80 HG3 GLU 80 1.016 8.231 -15.062 645 2HG GLU 80 HG2 GLU 80 -0.396 7.450 -15.771 646 HA PRO 81 HA PRO 81 -4.644 5.817 -16.118 647 1HB PRO 81 HB2 PRO 81 -3.961 5.648 -18.770 648 2HB PRO 81 HB3 PRO 81 -5.299 6.618 -18.144 649 1HG PRO 81 HG3 PRO 81 -2.574 7.467 -18.981 650 2HG PRO 81 HG2 PRO 81 -4.123 8.310 -19.157 651 1HD PRO 81 HD3 PRO 81 -2.261 8.923 -17.236 652 2HD PRO 81 HD2 PRO 81 -3.993 9.212 -17.016 653 H GLY 82 HN GLY 82 -4.018 3.816 -15.786 654 1HA GLY 82 HA1 GLY 82 -2.478 2.046 -16.747 655 2HA GLY 82 HA2 GLY 82 -1.200 3.146 -16.241 656 H LEU 83 HN LEU 83 -2.774 3.990 -13.921 657 HA LEU 83 HA LEU 83 -1.989 1.806 -12.159 658 1HB LEU 83 HB3 LEU 83 -2.685 4.691 -11.707 659 2HB LEU 83 HB2 LEU 83 -2.545 3.566 -10.372 660 HG LEU 83 HG LEU 83 -0.329 4.333 -12.296 661 1HD1 LEU 83 HD21 LEU 83 -1.335 5.769 -10.130 662 2HD1 LEU 83 HD22 LEU 83 0.067 4.910 -9.474 663 3HD1 LEU 83 HD23 LEU 83 0.256 5.959 -10.878 664 1HD2 LEU 83 HD11 LEU 83 1.059 2.839 -11.254 665 2HD2 LEU 83 HD12 LEU 83 0.123 2.849 -9.760 666 3HD2 LEU 83 HD13 LEU 83 -0.456 1.938 -11.146 667 HA PRO 84 HA PRO 84 -6.271 0.687 -11.712 668 1HB PRO 84 HB2 PRO 84 -6.032 -1.019 -9.627 669 2HB PRO 84 HB3 PRO 84 -5.486 -1.437 -11.251 670 1HG PRO 84 HG2 PRO 84 -3.857 -0.537 -8.906 671 2HG PRO 84 HG3 PRO 84 -3.492 -1.773 -10.132 672 1HD PRO 84 HD2 PRO 84 -2.486 0.787 -10.154 673 2HD PRO 84 HD3 PRO 84 -2.672 -0.224 -11.592 674 H SER 85 HN SER 85 -7.993 1.021 -10.275 675 HA SER 85 HA SER 85 -7.333 2.725 -7.980 676 1HB SER 85 HB3 SER 85 -8.453 3.950 -9.870 677 2HB SER 85 HB2 SER 85 -9.874 2.952 -9.568 678 HG SER 85 HG SER 85 -8.637 4.462 -7.527 679 H PHE 86 HN PHE 86 -7.883 1.953 -6.176 680 HA PHE 86 HA PHE 86 -10.281 0.337 -5.831 681 1HB PHE 86 HB2 PHE 86 -9.178 -1.532 -4.827 682 2HB PHE 86 HB3 PHE 86 -8.373 -1.235 -6.364 683 HD1 PHE 86 HD1 PHE 86 -6.252 0.356 -6.204 684 HD2 PHE 86 HD2 PHE 86 -7.901 -1.879 -2.991 685 HE1 PHE 86 HE1 PHE 86 -4.081 0.470 -5.036 686 HE2 PHE 86 HE2 PHE 86 -5.753 -1.788 -1.825 687 HZ PHE 86 HZ PHE 86 -3.831 -0.612 -2.837 688 H ARG 87 HN ARG 87 -10.676 -0.132 -3.531 689 HA ARG 87 HA ARG 87 -9.614 2.007 -1.820 690 1HB ARG 87 HB3 ARG 87 -12.383 0.851 -1.578 691 2HB ARG 87 HB2 ARG 87 -11.721 2.210 -0.707 692 1HG ARG 87 HG3 ARG 87 -13.126 3.179 -2.276 693 2HG ARG 87 HG2 ARG 87 -11.517 3.343 -2.978 694 1HD ARG 87 HD3 ARG 87 -13.167 2.639 -4.643 695 2HD ARG 87 HD2 ARG 87 -11.918 1.417 -4.391 696 HE ARG 87 HE ARG 87 -13.842 0.584 -2.733 697 1HH1 ARG 87 HH11 ARG 87 -13.951 1.314 -6.288 698 2HH1 ARG 87 HH12 ARG 87 -15.667 1.445 -5.982 699 1HH2 ARG 87 HH21 ARG 87 -16.026 -0.392 -3.387 700 2HH2 ARG 87 HH22 ARG 87 -15.759 -1.197 -4.903 701 H ILE 88 HN ILE 88 -9.035 1.426 0.264 702 HA ILE 88 HA ILE 88 -9.256 -1.451 0.774 703 HB ILE 88 HB ILE 88 -7.334 -1.081 2.393 704 1HG1 ILE 88 HG12 ILE 88 -7.046 1.386 0.677 705 2HG1 ILE 88 HG13 ILE 88 -7.269 1.305 2.421 706 1HG2 ILE 88 HG21 ILE 88 -5.685 -1.516 0.654 707 2HG2 ILE 88 HG22 ILE 88 -7.191 -2.359 0.282 708 3HG2 ILE 88 HG23 ILE 88 -6.775 -0.872 -0.573 709 1HD1 ILE 88 HD11 ILE 88 -4.916 1.779 1.604 710 2HD1 ILE 88 HD12 ILE 88 -5.107 0.486 2.794 711 3HD1 ILE 88 HD13 ILE 88 -4.860 0.087 1.085 712 H LYS 89 HN LYS 89 -10.197 -2.155 2.571 713 HA LYS 89 HA LYS 89 -10.985 -0.168 4.609 714 1HB LYS 89 HB2 LYS 89 -12.546 -2.359 3.248 715 2HB LYS 89 HB3 LYS 89 -13.022 -1.759 4.829 716 1HG LYS 89 HG3 LYS 89 -12.633 0.256 2.708 717 2HG LYS 89 HG2 LYS 89 -14.014 -0.828 2.540 718 1HD LYS 89 HD2 LYS 89 -13.382 0.825 5.015 719 2HD LYS 89 HD3 LYS 89 -14.553 1.268 3.772 720 1HE LYS 89 HE3 LYS 89 -15.901 -0.661 4.235 721 2HE LYS 89 HE2 LYS 89 -14.715 -1.261 5.387 722 1HZ LYS 89 HZ1 LYS 89 -15.354 0.252 6.955 723 2HZ LYS 89 HZ2 LYS 89 -16.828 0.004 6.151 724 3HZ LYS 89 HZ3 LYS 89 -15.905 1.381 5.807 725 HA PRO 90 HA PRO 90 -8.953 -3.312 7.080 726 1HB PRO 90 HB3 PRO 90 -9.818 -1.798 9.419 727 2HB PRO 90 HB2 PRO 90 -8.176 -1.993 8.778 728 1HG PRO 90 HG2 PRO 90 -9.504 0.374 8.718 729 2HG PRO 90 HG3 PRO 90 -8.311 -0.101 7.489 730 1HD PRO 90 HD3 PRO 90 -11.308 -0.192 7.351 731 2HD PRO 90 HD2 PRO 90 -10.123 0.334 6.130 732 H LYS 91 HN LYS 91 -11.155 -4.308 6.164 733 HA LYS 91 HA LYS 91 -13.241 -4.649 8.146 734 1HB LYS 91 HB2 LYS 91 -12.918 -5.938 5.421 735 2HB LYS 91 HB3 LYS 91 -14.282 -6.181 6.509 736 1HG LYS 91 HG2 LYS 91 -14.564 -3.635 6.447 737 2HG LYS 91 HG3 LYS 91 -13.486 -3.671 5.048 738 1HD LYS 91 HD2 LYS 91 -15.771 -3.689 4.321 739 2HD LYS 91 HD3 LYS 91 -15.043 -5.257 3.960 740 1HE LYS 91 HE2 LYS 91 -17.328 -5.479 4.896 741 2HE LYS 91 HE3 LYS 91 -16.118 -6.232 5.931 742 1HZ LYS 91 HZ1 LYS 91 -17.160 -3.522 6.378 743 2HZ LYS 91 HZ2 LYS 91 -16.208 -4.463 7.429 744 3HZ LYS 91 HZ3 LYS 91 -17.807 -4.914 7.083 745 H ASP 92 HN ASP 92 -11.515 -5.425 9.568 746 HA ASP 92 HA ASP 92 -11.818 -8.230 9.965 747 1HB ASP 92 HB3 ASP 92 -9.824 -7.804 8.290 748 2HB ASP 92 HB2 ASP 92 -8.969 -7.303 9.742 749 H PHE 93 HN PHE 93 -10.503 -8.736 12.106 750 HA PHE 93 HA PHE 93 -10.630 -6.297 13.749 751 1HB PHE 93 HB2 PHE 93 -11.411 -9.124 14.375 752 2HB PHE 93 HB3 PHE 93 -11.120 -7.947 15.651 753 HD1 PHE 93 HD1 PHE 93 -13.665 -9.029 15.810 754 HD2 PHE 93 HD2 PHE 93 -12.310 -6.065 13.082 755 HE1 PHE 93 HE1 PHE 93 -15.974 -8.242 15.558 756 HE2 PHE 93 HE2 PHE 93 -14.620 -5.262 12.843 757 HZ PHE 93 HZ PHE 93 -16.446 -6.335 14.084 758 H GLU 94 HN GLU 94 -9.165 -9.534 13.857 759 HA GLU 94 HA GLU 94 -7.202 -9.291 15.674 760 1HB GLU 94 HB2 GLU 94 -6.876 -10.488 12.924 761 2HB GLU 94 HB3 GLU 94 -5.912 -10.893 14.336 762 1HG GLU 94 HG2 GLU 94 -7.512 -12.171 15.251 763 2HG GLU 94 HG3 GLU 94 -8.832 -11.207 14.597 764 H THR 95 HN THR 95 -6.281 -7.304 15.943 765 HA THR 95 HA THR 95 -4.672 -5.746 15.795 766 HB THR 95 HB THR 95 -3.684 -7.107 13.302 767 HG1 THR 95 HG1 THR 95 -3.005 -8.645 14.514 768 1HG2 THR 95 HG21 THR 95 -2.468 -5.171 15.233 769 2HG2 THR 95 HG22 THR 95 -2.510 -5.115 13.463 770 3HG2 THR 95 HG23 THR 95 -1.483 -6.292 14.290 771 H SER 96 HN SER 96 -6.398 -6.542 12.995 772 HA SER 96 HA SER 96 -6.142 -4.444 11.277 773 1HB SER 96 HB3 SER 96 -8.349 -6.319 11.954 774 2HB SER 96 HB2 SER 96 -8.721 -4.938 10.905 775 HG SER 96 HG SER 96 -7.945 -6.208 9.413 776 H GLU 97 HN GLU 97 -8.060 -4.548 14.231 777 HA GLU 97 HA GLU 97 -9.427 -2.093 13.845 778 1HB GLU 97 HB2 GLU 97 -8.592 -3.458 16.395 779 2HB GLU 97 HB3 GLU 97 -9.800 -2.183 16.272 780 1HG GLU 97 HG3 GLU 97 -11.167 -3.669 14.830 781 2HG GLU 97 HG2 GLU 97 -9.950 -4.932 15.038 782 H TYR 98 HN TYR 98 -6.433 -2.953 15.520 783 HA TYR 98 HA TYR 98 -5.765 -0.378 16.413 784 1HB TYR 98 HB2 TYR 98 -3.875 -2.645 15.736 785 2HB TYR 98 HB3 TYR 98 -3.532 -1.266 16.779 786 HD1 TYR 98 HD1 TYR 98 -5.247 -1.000 18.809 787 HD2 TYR 98 HD2 TYR 98 -4.430 -4.639 16.721 788 HE1 TYR 98 HE1 TYR 98 -6.101 -2.296 20.746 789 HE2 TYR 98 HE2 TYR 98 -5.149 -5.926 18.699 790 HH TYR 98 HH TYR 98 -5.997 -5.868 20.721 791 H VAL 99 HN VAL 99 -4.603 -2.174 13.517 792 HA VAL 99 HA VAL 99 -3.007 -0.040 12.557 793 HB VAL 99 HB VAL 99 -2.730 -1.264 10.527 794 1HG1 VAL 99 HG11 VAL 99 -1.983 -3.445 11.467 795 2HG1 VAL 99 HG12 VAL 99 -1.425 -2.026 12.355 796 3HG1 VAL 99 HG13 VAL 99 -2.755 -2.994 12.994 797 1HG2 VAL 99 HG21 VAL 99 -4.277 -3.601 11.129 798 2HG2 VAL 99 HG22 VAL 99 -5.317 -2.193 10.984 799 3HG2 VAL 99 HG23 VAL 99 -4.252 -2.636 9.653 800 H ARG 100 HN ARG 100 -6.374 -0.725 12.218 801 HA ARG 100 HA ARG 100 -7.031 0.559 9.847 802 1HB ARG 100 HB3 ARG 100 -8.637 -0.667 11.293 803 2HB ARG 100 HB2 ARG 100 -8.517 0.635 12.470 804 1HG ARG 100 HG2 ARG 100 -9.514 2.196 10.977 805 2HG ARG 100 HG3 ARG 100 -9.529 1.021 9.662 806 1HD ARG 100 HD2 ARG 100 -11.749 1.213 10.750 807 2HD ARG 100 HD3 ARG 100 -11.064 -0.398 10.931 808 HE ARG 100 HE ARG 100 -10.384 1.145 13.193 809 1HH1 ARG 100 HH12 ARG 100 -13.785 -0.124 12.129 810 2HH1 ARG 100 HH11 ARG 100 -13.134 -1.410 13.104 811 1HH2 ARG 100 HH21 ARG 100 -12.387 1.489 15.042 812 2HH2 ARG 100 HH22 ARG 100 -12.297 -0.237 15.285 813 H LYS 101 HN LYS 101 -6.955 2.013 13.111 814 HA LYS 101 HA LYS 101 -7.259 4.688 12.161 815 1HB LYS 101 HB3 LYS 101 -7.994 3.841 14.375 816 2HB LYS 101 HB2 LYS 101 -6.309 3.726 14.844 817 1HG LYS 101 HG2 LYS 101 -6.073 6.127 14.558 818 2HG LYS 101 HG3 LYS 101 -7.784 6.245 14.137 819 1HD LYS 101 HD3 LYS 101 -7.518 6.790 16.484 820 2HD LYS 101 HD2 LYS 101 -8.330 5.230 16.353 821 1HE LYS 101 HE2 LYS 101 -6.013 4.203 16.575 822 2HE LYS 101 HE3 LYS 101 -5.467 5.803 17.063 823 1HZ LYS 101 HZ1 LYS 101 -7.419 4.041 18.433 824 2HZ LYS 101 HZ2 LYS 101 -7.304 5.692 18.777 825 3HZ LYS 101 HZ3 LYS 101 -5.972 4.686 19.054 826 H ALA 102 HN ALA 102 -4.571 2.591 12.561 827 HA ALA 102 HA ALA 102 -2.686 4.785 12.768 828 1HB ALA 102 HB1 ALA 102 -1.691 3.275 14.025 829 2HB ALA 102 HB2 ALA 102 -2.610 1.938 13.341 830 3HB ALA 102 HB3 ALA 102 -1.148 2.524 12.527 831 H TRP 103 HN TRP 103 -4.240 3.552 10.151 832 HA TRP 103 HA TRP 103 -1.817 3.556 8.484 833 1HB TRP 103 HB3 TRP 103 -4.492 2.361 8.180 834 2HB TRP 103 HB2 TRP 103 -3.837 3.076 6.706 835 HD1 TRP 103 HD1 TRP 103 -3.019 0.366 9.304 836 HE1 TRP 103 HE1 TRP 103 -1.350 -1.270 8.303 837 HE3 TRP 103 HE3 TRP 103 -2.097 2.774 4.941 838 HZ2 TRP 103 HZ2 TRP 103 0.210 -1.509 5.931 839 HZ3 TRP 103 HZ3 TRP 103 -0.483 1.784 3.353 840 HH2 TRP 103 HH2 TRP 103 0.634 -0.301 3.847 841 H LEU 104 HN LEU 104 -4.826 5.357 8.922 842 HA LEU 104 HA LEU 104 -4.517 6.982 6.644 843 1HB LEU 104 HB3 LEU 104 -5.858 8.650 8.203 844 2HB LEU 104 HB2 LEU 104 -6.610 7.294 7.392 845 HG LEU 104 HG LEU 104 -5.866 6.155 9.752 846 1HD1 LEU 104 HD21 LEU 104 -5.170 8.353 10.674 847 2HD1 LEU 104 HD22 LEU 104 -6.767 9.007 10.307 848 3HD1 LEU 104 HD23 LEU 104 -6.595 7.742 11.524 849 1HD2 LEU 104 HD11 LEU 104 -8.440 7.596 9.126 850 2HD2 LEU 104 HD12 LEU 104 -7.993 5.994 8.523 851 3HD2 LEU 104 HD13 LEU 104 -8.228 6.249 10.252 852 H ARG 105 HN ARG 105 -2.935 7.057 9.729 853 HA ARG 105 HA ARG 105 -2.077 9.767 9.657 854 1HB ARG 105 HB2 ARG 105 -0.985 7.325 11.055 855 2HB ARG 105 HB3 ARG 105 -0.283 8.926 11.248 856 1HG ARG 105 HG3 ARG 105 -2.514 9.718 12.037 857 2HG ARG 105 HG2 ARG 105 -3.024 8.029 12.077 858 1HD ARG 105 HD2 ARG 105 -1.253 7.462 13.629 859 2HD ARG 105 HD3 ARG 105 -0.656 9.117 13.578 860 HE ARG 105 HE ARG 105 -2.235 9.656 15.128 861 1HH1 ARG 105 HH12 ARG 105 -3.270 6.152 15.187 862 2HH1 ARG 105 HH11 ARG 105 -4.122 6.625 13.736 863 1HH2 ARG 105 HH22 ARG 105 -3.916 8.648 16.849 864 2HH2 ARG 105 HH21 ARG 105 -5.191 8.970 15.704 865 H ASP 106 HN ASP 106 -0.611 6.710 8.576 866 HA ASP 106 HA ASP 106 1.712 7.963 7.470 867 1HB ASP 106 HB2 ASP 106 0.556 5.196 7.158 868 2HB ASP 106 HB3 ASP 106 1.990 5.723 6.275 869 H ILE 107 HN ILE 107 -1.480 7.456 6.420 870 HA ILE 107 HA ILE 107 -0.994 7.638 3.611 871 HB ILE 107 HB ILE 107 -3.342 7.568 5.353 872 1HG1 ILE 107 HG13 ILE 107 -4.231 6.217 3.547 873 2HG1 ILE 107 HG12 ILE 107 -2.952 6.761 2.464 874 1HG2 ILE 107 HG21 ILE 107 -4.852 8.859 4.231 875 2HG2 ILE 107 HG22 ILE 107 -3.412 9.876 4.068 876 3HG2 ILE 107 HG23 ILE 107 -3.925 8.843 2.730 877 1HD1 ILE 107 HD11 ILE 107 -1.367 5.705 4.218 878 2HD1 ILE 107 HD12 ILE 107 -2.814 4.867 4.759 879 3HD1 ILE 107 HD13 ILE 107 -2.241 4.642 3.111 880 H ALA 108 HN ALA 108 -1.471 9.877 6.240 881 HA ALA 108 HA ALA 108 -1.635 12.250 4.656 882 1HB ALA 108 HB1 ALA 108 -0.718 13.026 7.145 883 2HB ALA 108 HB2 ALA 108 -2.407 12.896 6.660 884 3HB ALA 108 HB3 ALA 108 -1.622 11.551 7.481 885 H GLU 109 HN GLU 109 0.862 10.469 6.345 886 HA GLU 109 HA GLU 109 3.008 12.287 5.947 887 1HB GLU 109 HB3 GLU 109 2.902 9.348 6.631 888 2HB GLU 109 HB2 GLU 109 4.385 10.287 6.600 889 1HG GLU 109 HG2 GLU 109 2.096 11.152 8.315 890 2HG GLU 109 HG3 GLU 109 3.161 9.848 8.835 891 H GLU 110 HN GLU 110 1.379 10.614 3.638 892 HA GLU 110 HA GLU 110 3.380 9.237 2.276 893 1HB GLU 110 HB2 GLU 110 1.925 9.203 0.354 894 2HB GLU 110 HB3 GLU 110 0.965 8.947 1.802 895 1HG GLU 110 HG2 GLU 110 -0.385 10.573 1.131 896 2HG GLU 110 HG3 GLU 110 0.946 11.722 1.304 897 H GLN 111 HN GLN 111 5.126 9.870 1.515 898 HA GLN 111 HA GLN 111 6.805 11.040 0.654 899 1HB GLN 111 HB2 GLN 111 5.090 10.972 -1.294 900 2HB GLN 111 HB3 GLN 111 4.918 12.696 -0.982 901 1HG GLN 111 HG3 GLN 111 7.217 13.073 -1.365 902 2HG GLN 111 HG2 GLN 111 7.540 11.344 -1.455 903 1HE2 GLN 111 HE21 GLN 111 7.921 10.645 -3.403 904 2HE2 GLN 111 HE22 GLN 111 7.135 11.191 -4.853 905 H GLU 112 HN GLU 112 5.138 12.278 2.969 906 HA GLU 112 HA GLU 112 5.561 15.096 2.743 907 1HB GLU 112 HB2 GLU 112 5.125 13.236 5.076 908 2HB GLU 112 HB3 GLU 112 5.577 14.905 5.373 909 1HG GLU 112 HG3 GLU 112 3.138 14.012 3.825 910 2HG GLU 112 HG2 GLU 112 3.154 14.533 5.509 911 H LYS 113 HN LYS 113 7.335 12.419 4.123 912 HA LYS 113 HA LYS 113 9.677 13.971 4.805 913 1HB LYS 113 HB3 LYS 113 9.530 10.965 4.532 914 2HB LYS 113 HB2 LYS 113 10.607 11.894 5.576 915 1HG LYS 113 HG3 LYS 113 7.668 11.416 5.890 916 2HG LYS 113 HG2 LYS 113 8.972 10.909 6.962 917 1HD LYS 113 HD3 LYS 113 9.395 13.200 7.614 918 2HD LYS 113 HD2 LYS 113 8.213 13.756 6.409 919 1HE LYS 113 HE2 LYS 113 7.256 13.766 8.691 920 2HE LYS 113 HE3 LYS 113 6.386 12.659 7.626 921 1HZ LYS 113 HZ1 LYS 113 6.679 11.410 9.506 922 2HZ LYS 113 HZ2 LYS 113 8.182 12.093 9.914 923 3HZ LYS 113 HZ3 LYS 113 8.074 10.954 8.656 924 H TYR 114 HN TYR 114 9.596 14.809 2.454 925 HA TYR 114 HA TYR 114 10.477 13.091 0.343 926 1HB TYR 114 HB3 TYR 114 9.178 15.277 0.146 927 2HB TYR 114 HB2 TYR 114 10.722 16.099 0.357 928 HD1 TYR 114 HD1 TYR 114 9.421 13.210 -1.636 929 HD2 TYR 114 HD2 TYR 114 11.687 16.820 -1.629 930 HE1 TYR 114 HE1 TYR 114 9.834 12.958 -4.054 931 HE2 TYR 114 HE2 TYR 114 12.134 16.538 -4.047 932 HH TYR 114 HH TYR 114 10.408 14.808 -6.028 933 H ALA 115 HN ALA 115 12.182 12.568 2.334 934 HA ALA 115 HA ALA 115 14.614 14.096 2.100 935 1HB ALA 115 HB1 ALA 115 14.437 11.351 3.261 936 2HB ALA 115 HB2 ALA 115 15.463 12.707 3.746 937 3HB ALA 115 HB3 ALA 115 13.734 12.739 4.108 938 H ALA 116 HN ALA 116 15.936 13.909 0.375 939 HA ALA 116 HA ALA 116 16.310 11.258 -0.836 940 1HB ALA 116 HB1 ALA 116 16.516 12.592 -3.038 941 2HB ALA 116 HB2 ALA 116 14.915 12.237 -2.400 942 3HB ALA 116 HB3 ALA 116 15.612 13.842 -2.182 943 H GLU 117 HN GLU 117 17.989 12.198 1.064 944 HA GLU 117 HA GLU 117 20.187 13.685 0.074 945 1HB GLU 117 HB3 GLU 117 20.338 11.555 2.203 946 2HB GLU 117 HB2 GLU 117 21.399 12.940 1.986 947 1HG GLU 117 HG2 GLU 117 20.129 13.829 3.626 948 2HG GLU 117 HG3 GLU 117 19.031 14.201 2.292 949 H ARG 118 HN ARG 118 19.761 10.181 0.513 950 HA ARG 118 HA ARG 118 21.301 9.629 -1.867 951 1HB ARG 118 HB2 ARG 118 22.243 8.834 0.882 952 2HB ARG 118 HB3 ARG 118 22.731 7.976 -0.570 953 1HG ARG 118 HG3 ARG 118 23.704 10.036 -1.481 954 2HG ARG 118 HG2 ARG 118 23.264 10.891 -0.001 955 1HD ARG 118 HD3 ARG 118 24.692 9.423 1.305 956 2HD ARG 118 HD2 ARG 118 25.138 8.541 -0.155 957 HE ARG 118 HE ARG 118 26.608 10.180 -0.667 958 1HH1 ARG 118 HH11 ARG 118 25.360 11.395 2.415 959 2HH1 ARG 118 HH12 ARG 118 24.497 12.617 1.519 960 1HH2 ARG 118 HH21 ARG 118 26.828 12.997 -0.742 961 2HH2 ARG 118 HH22 ARG 118 27.650 12.732 0.769 962 H ASP 119 HN ASP 119 21.564 7.066 -1.905 963 HA ASP 119 HA ASP 119 19.262 5.725 -0.722 964 1HB ASP 119 HB3 ASP 119 18.426 6.740 -2.844 965 2HB ASP 119 HB2 ASP 119 19.630 5.807 -3.727 Start of MODEL 14 1 1H MET 1 HT1 MET 1 23.867 -8.164 1.059 2 2H MET 1 HT2 MET 1 22.482 -9.172 1.099 3 3H MET 1 HT3 MET 1 22.844 -8.188 2.453 4 HA MET 1 HA MET 1 21.036 -7.443 0.862 5 1HB MET 1 HB2 MET 1 21.666 -5.119 1.268 6 2HB MET 1 HB3 MET 1 22.000 -6.114 2.676 7 1HG MET 1 HG2 MET 1 24.355 -6.220 1.989 8 2HG MET 1 HG3 MET 1 23.988 -5.085 0.691 9 1HE MET 1 HE1 MET 1 26.179 -4.818 2.940 10 2HE MET 1 HE2 MET 1 26.005 -3.538 1.741 11 3HE MET 1 HE3 MET 1 26.056 -3.134 3.456 12 H GLY 2 HN GLY 2 20.681 -6.158 -1.025 13 1HA GLY 2 HA1 GLY 2 22.582 -6.835 -3.134 14 2HA GLY 2 HA2 GLY 2 20.967 -6.182 -3.366 15 H ASP 3 HN ASP 3 22.805 -5.069 -4.901 16 HA ASP 3 HA ASP 3 24.302 -2.961 -3.783 17 1HB ASP 3 HB2 ASP 3 24.489 -2.087 -6.070 18 2HB ASP 3 HB3 ASP 3 24.784 -3.821 -6.031 19 H THR 4 HN THR 4 20.996 -3.217 -4.798 20 HA THR 4 HA THR 4 20.445 -0.558 -3.710 21 HB THR 4 HB THR 4 18.633 -0.467 -5.608 22 HG1 THR 4 HG1 THR 4 20.674 -1.994 -6.877 23 1HG2 THR 4 HG21 THR 4 20.772 0.983 -5.238 24 2HG2 THR 4 HG22 THR 4 19.891 1.045 -6.763 25 3HG2 THR 4 HG23 THR 4 21.368 0.091 -6.632 26 H GLY 5 HN GLY 5 20.208 -2.810 -2.294 27 1HA GLY 5 HA1 GLY 5 17.399 -2.807 -1.736 28 2HA GLY 5 HA2 GLY 5 17.955 -4.321 -2.427 29 H LYS 6 HN LYS 6 17.849 -2.351 0.376 30 HA LYS 6 HA LYS 6 19.708 -3.952 1.932 31 1HB LYS 6 HB2 LYS 6 17.705 -1.884 2.903 32 2HB LYS 6 HB3 LYS 6 19.083 -2.521 3.786 33 1HG LYS 6 HG2 LYS 6 20.623 -1.439 2.326 34 2HG LYS 6 HG3 LYS 6 19.327 -0.878 1.273 35 1HD LYS 6 HD2 LYS 6 18.415 0.428 3.217 36 2HD LYS 6 HD3 LYS 6 19.842 -0.059 4.142 37 1HE LYS 6 HE3 LYS 6 19.900 1.451 1.546 38 2HE LYS 6 HE2 LYS 6 20.029 2.191 3.140 39 1HZ LYS 6 HZ1 LYS 6 21.929 0.258 3.188 40 2HZ LYS 6 HZ2 LYS 6 22.186 1.908 2.894 41 3HZ LYS 6 HZ3 LYS 6 22.013 0.840 1.596 42 H LEU 7 HN LEU 7 16.272 -3.097 2.204 43 HA LEU 7 HA LEU 7 15.666 -5.892 2.941 44 1HB LEU 7 HB2 LEU 7 14.706 -3.361 4.263 45 2HB LEU 7 HB3 LEU 7 13.755 -4.828 4.353 46 HG LEU 7 HG LEU 7 14.963 -4.669 6.380 47 1HD1 LEU 7 HD21 LEU 7 16.881 -6.548 5.727 48 2HD1 LEU 7 HD22 LEU 7 15.214 -6.850 6.212 49 3HD1 LEU 7 HD23 LEU 7 15.624 -6.772 4.503 50 1HD2 LEU 7 HD11 LEU 7 17.646 -4.658 5.182 51 2HD2 LEU 7 HD12 LEU 7 16.751 -3.139 5.154 52 3HD2 LEU 7 HD13 LEU 7 17.071 -3.951 6.687 53 H GLY 8 HN GLY 8 13.888 -2.877 2.381 54 1HA GLY 8 HA1 GLY 8 12.906 -2.692 0.058 55 2HA GLY 8 HA2 GLY 8 12.247 -4.293 0.385 56 H ARG 9 HN ARG 9 11.369 -4.184 2.865 57 HA ARG 9 HA ARG 9 9.054 -2.488 2.726 58 1HB ARG 9 HB3 ARG 9 9.864 -4.108 5.135 59 2HB ARG 9 HB2 ARG 9 8.245 -3.698 4.568 60 1HG ARG 9 HG2 ARG 9 10.125 -5.497 3.051 61 2HG ARG 9 HG3 ARG 9 8.918 -6.085 4.185 62 1HD ARG 9 HD2 ARG 9 7.169 -5.513 2.833 63 2HD ARG 9 HD3 ARG 9 8.077 -4.250 2.010 64 HE ARG 9 HE ARG 9 8.905 -5.810 0.536 65 1HH1 ARG 9 HH12 ARG 9 7.286 -7.776 3.148 66 2HH1 ARG 9 HH11 ARG 9 6.470 -8.535 1.818 67 1HH2 ARG 9 HH22 ARG 9 8.185 -8.024 -0.638 68 2HH2 ARG 9 HH21 ARG 9 9.369 -8.774 0.393 69 H ILE 10 HN ILE 10 9.030 -0.447 3.474 70 HA ILE 10 HA ILE 10 10.896 0.236 5.623 71 HB ILE 10 HB ILE 10 11.908 0.923 3.581 72 1HG1 ILE 10 HG12 ILE 10 10.733 3.369 4.920 73 2HG1 ILE 10 HG13 ILE 10 12.057 2.417 5.588 74 1HG2 ILE 10 HG21 ILE 10 9.521 2.650 2.961 75 2HG2 ILE 10 HG22 ILE 10 10.936 2.343 1.952 76 3HG2 ILE 10 HG23 ILE 10 9.777 1.048 2.255 77 1HD1 ILE 10 HD11 ILE 10 12.177 4.555 3.748 78 2HD1 ILE 10 HD12 ILE 10 13.495 3.607 4.439 79 3HD1 ILE 10 HD13 ILE 10 12.728 3.093 2.932 80 H ILE 11 HN ILE 11 8.016 1.426 3.807 81 HA ILE 11 HA ILE 11 7.365 3.234 5.942 82 HB ILE 11 HB ILE 11 5.714 2.488 3.524 83 1HG1 ILE 11 HG13 ILE 11 7.500 4.856 4.117 84 2HG1 ILE 11 HG12 ILE 11 7.714 3.634 2.865 85 1HG2 ILE 11 HG21 ILE 11 5.116 5.011 4.854 86 2HG2 ILE 11 HG22 ILE 11 4.033 3.745 4.288 87 3HG2 ILE 11 HG23 ILE 11 4.797 3.595 5.867 88 1HD1 ILE 11 HD11 ILE 11 6.833 5.867 2.101 89 2HD1 ILE 11 HD12 ILE 11 5.908 4.444 1.607 90 3HD1 ILE 11 HD13 ILE 11 5.331 5.447 2.935 91 H ARG 12 HN ARG 12 5.059 1.011 4.431 92 HA ARG 12 HA ARG 12 4.510 -0.245 7.028 93 1HB ARG 12 HB2 ARG 12 2.886 1.794 5.858 94 2HB ARG 12 HB3 ARG 12 2.002 0.278 5.771 95 1HG ARG 12 HG3 ARG 12 1.389 1.334 7.793 96 2HG ARG 12 HG2 ARG 12 2.426 -0.024 8.223 97 1HD ARG 12 HD2 ARG 12 4.315 1.491 8.475 98 2HD ARG 12 HD3 ARG 12 3.283 2.855 8.035 99 HE ARG 12 HE ARG 12 2.175 1.420 10.218 100 1HH1 ARG 12 HH12 ARG 12 3.814 4.390 9.520 101 2HH1 ARG 12 HH11 ARG 12 4.919 4.262 10.864 102 1HH2 ARG 12 HH22 ARG 12 3.137 1.941 12.565 103 2HH2 ARG 12 HH21 ARG 12 2.620 3.600 12.445 104 H HIS 13 HN HIS 13 2.836 -2.077 6.704 105 HA HIS 13 HA HIS 13 2.413 -3.152 4.130 106 1HB HIS 13 HB2 HIS 13 3.830 -5.144 4.281 107 2HB HIS 13 HB3 HIS 13 4.794 -3.679 4.206 108 HD1 HIS 13 HD1 HIS 13 5.677 -2.851 6.708 109 HD2 HIS 13 HD2 HIS 13 4.500 -6.824 6.261 110 HE1 HIS 13 HE1 HIS 13 6.713 -4.070 8.643 111 HE2 HIS 13 HE2 HIS 13 6.164 -6.514 8.255 112 H ASP 14 HN ASP 14 0.384 -3.773 4.604 113 HA ASP 14 HA ASP 14 0.033 -5.660 6.832 114 1HB ASP 14 HB2 ASP 14 -1.444 -3.105 6.403 115 2HB ASP 14 HB3 ASP 14 -2.346 -4.497 7.003 116 H ALA 15 HN ALA 15 -2.030 -6.859 6.722 117 HA ALA 15 HA ALA 15 -2.488 -7.653 3.941 118 1HB ALA 15 HB1 ALA 15 -3.769 -9.539 5.257 119 2HB ALA 15 HB2 ALA 15 -2.016 -9.567 5.066 120 3HB ALA 15 HB3 ALA 15 -2.732 -8.990 6.573 121 H PHE 16 HN PHE 16 -4.278 -7.150 2.922 122 HA PHE 16 HA PHE 16 -6.673 -6.460 4.519 123 1HB PHE 16 HB2 PHE 16 -5.763 -5.089 1.965 124 2HB PHE 16 HB3 PHE 16 -7.224 -4.716 2.879 125 HD1 PHE 16 HD1 PHE 16 -6.518 -4.412 5.565 126 HD2 PHE 16 HD2 PHE 16 -4.188 -3.475 2.146 127 HE1 PHE 16 HE1 PHE 16 -5.242 -2.772 6.886 128 HE2 PHE 16 HE2 PHE 16 -2.921 -1.820 3.436 129 HZ PHE 16 HZ PHE 16 -3.445 -1.465 5.822 130 H GLN 17 HN GLN 17 -8.550 -6.302 2.804 131 HA GLN 17 HA GLN 17 -8.498 -8.102 0.586 132 1HB GLN 17 HB3 GLN 17 -8.664 -9.763 2.423 133 2HB GLN 17 HB2 GLN 17 -10.091 -8.940 3.043 134 1HG GLN 17 HG2 GLN 17 -11.333 -9.508 1.061 135 2HG GLN 17 HG3 GLN 17 -9.886 -10.174 0.309 136 1HE2 GLN 17 HE21 GLN 17 -9.935 -12.271 0.232 137 2HE2 GLN 17 HE22 GLN 17 -10.430 -13.322 1.515 138 H VAL 18 HN VAL 18 -8.935 -5.753 0.226 139 HA VAL 18 HA VAL 18 -11.803 -5.210 0.452 140 HB VAL 18 HB VAL 18 -10.780 -3.859 2.052 141 1HG1 VAL 18 HG11 VAL 18 -8.571 -3.689 2.017 142 2HG1 VAL 18 HG12 VAL 18 -8.506 -4.051 0.293 143 3HG1 VAL 18 HG13 VAL 18 -8.742 -2.402 0.815 144 1HG2 VAL 18 HG21 VAL 18 -10.495 -1.627 0.315 145 2HG2 VAL 18 HG22 VAL 18 -11.840 -2.620 -0.249 146 3HG2 VAL 18 HG23 VAL 18 -11.817 -2.028 1.416 147 H TRP 19 HN TRP 19 -12.799 -4.398 -1.134 148 HA TRP 19 HA TRP 19 -12.698 -4.856 -3.651 149 1HB TRP 19 HB2 TRP 19 -13.344 -2.068 -2.731 150 2HB TRP 19 HB3 TRP 19 -14.076 -2.941 -4.073 151 HD1 TRP 19 HD1 TRP 19 -15.746 -5.012 -3.385 152 HE1 TRP 19 HE1 TRP 19 -17.225 -5.344 -1.322 153 HE3 TRP 19 HE3 TRP 19 -13.433 -1.744 -0.193 154 HZ2 TRP 19 HZ2 TRP 19 -17.363 -4.379 1.332 155 HZ3 TRP 19 HZ3 TRP 19 -14.268 -1.523 2.088 156 HH2 TRP 19 HH2 TRP 19 -16.195 -2.824 2.850 157 H GLU 20 HN GLU 20 -11.501 -4.620 -5.354 158 HA GLU 20 HA GLU 20 -9.232 -2.838 -5.356 159 1HB GLU 20 HB2 GLU 20 -9.353 -5.290 -6.290 160 2HB GLU 20 HB3 GLU 20 -9.996 -4.501 -7.726 161 1HG GLU 20 HG3 GLU 20 -8.010 -3.172 -7.957 162 2HG GLU 20 HG2 GLU 20 -7.376 -3.804 -6.439 163 H GLY 21 HN GLY 21 -12.033 -1.923 -5.582 164 1HA GLY 21 HA1 GLY 21 -12.330 0.368 -6.496 165 2HA GLY 21 HA2 GLY 21 -11.696 -0.253 -8.005 166 H ASP 22 HN ASP 22 -13.007 -1.884 -9.136 167 HA ASP 22 HA ASP 22 -15.745 -1.027 -9.145 168 1HB ASP 22 HB2 ASP 22 -14.386 -1.696 -11.203 169 2HB ASP 22 HB3 ASP 22 -14.612 -3.360 -10.682 170 H GLU 23 HN GLU 23 -15.575 -1.838 -6.714 171 HA GLU 23 HA GLU 23 -16.151 -3.215 -5.080 172 1HB GLU 23 HB3 GLU 23 -18.362 -4.129 -5.212 173 2HB GLU 23 HB2 GLU 23 -18.304 -2.574 -6.020 174 1HG GLU 23 HG2 GLU 23 -18.486 -3.521 -8.128 175 2HG GLU 23 HG3 GLU 23 -18.119 -5.138 -7.528 176 HA PRO 24 HA PRO 24 -14.825 -7.452 -6.463 177 1HB PRO 24 HB3 PRO 24 -12.396 -7.274 -7.603 178 2HB PRO 24 HB2 PRO 24 -13.861 -6.917 -8.523 179 1HG PRO 24 HG2 PRO 24 -11.753 -5.097 -7.638 180 2HG PRO 24 HG3 PRO 24 -13.074 -4.793 -8.778 181 1HD PRO 24 HD2 PRO 24 -12.927 -4.236 -5.875 182 2HD PRO 24 HD3 PRO 24 -13.973 -3.487 -7.103 183 HA PRO 25 HA PRO 25 -12.396 -6.625 -2.552 184 1HB PRO 25 HB3 PRO 25 -13.496 -8.613 -1.084 185 2HB PRO 25 HB2 PRO 25 -14.164 -6.990 -1.215 186 1HG PRO 25 HG2 PRO 25 -14.958 -9.505 -2.623 187 2HG PRO 25 HG3 PRO 25 -15.994 -8.235 -1.951 188 1HD PRO 25 HD2 PRO 25 -15.439 -8.434 -4.607 189 2HD PRO 25 HD3 PRO 25 -15.746 -6.879 -3.803 190 H LYS 26 HN LYS 26 -10.422 -7.352 -2.569 191 HA LYS 26 HA LYS 26 -9.927 -10.229 -2.941 192 1HB LYS 26 HB3 LYS 26 -8.506 -7.954 -4.337 193 2HB LYS 26 HB2 LYS 26 -7.973 -9.626 -4.350 194 1HG LYS 26 HG2 LYS 26 -9.826 -10.335 -5.615 195 2HG LYS 26 HG3 LYS 26 -10.666 -8.798 -5.383 196 1HD LYS 26 HD2 LYS 26 -9.278 -7.672 -6.856 197 2HD LYS 26 HD3 LYS 26 -7.994 -8.879 -6.722 198 1HE LYS 26 HE3 LYS 26 -10.666 -9.295 -8.037 199 2HE LYS 26 HE2 LYS 26 -9.163 -8.939 -8.876 200 1HZ LYS 26 HZ1 LYS 26 -9.298 -11.219 -9.016 201 2HZ LYS 26 HZ2 LYS 26 -9.962 -11.399 -7.471 202 3HZ LYS 26 HZ3 LYS 26 -8.316 -11.029 -7.626 203 H LEU 27 HN LEU 27 -8.426 -11.073 -1.652 204 HA LEU 27 HA LEU 27 -7.350 -9.546 0.493 205 1HB LEU 27 HB3 LEU 27 -7.976 -12.032 0.434 206 2HB LEU 27 HB2 LEU 27 -6.471 -12.284 -0.425 207 HG LEU 27 HG LEU 27 -6.489 -10.969 2.277 208 1HD1 LEU 27 HD11 LEU 27 -6.266 -13.932 1.718 209 2HD1 LEU 27 HD12 LEU 27 -6.136 -13.151 3.291 210 3HD1 LEU 27 HD13 LEU 27 -7.678 -13.153 2.434 211 1HD2 LEU 27 HD21 LEU 27 -4.432 -10.803 0.986 212 2HD2 LEU 27 HD22 LEU 27 -4.203 -11.928 2.324 213 3HD2 LEU 27 HD23 LEU 27 -4.451 -12.547 0.691 214 H ARG 28 HN ARG 28 -5.476 -8.389 0.491 215 HA ARG 28 HA ARG 28 -3.336 -9.087 -1.365 216 1HB ARG 28 HB3 ARG 28 -4.771 -6.439 -1.292 217 2HB ARG 28 HB2 ARG 28 -3.109 -6.570 -1.848 218 1HG ARG 28 HG3 ARG 28 -3.901 -8.248 -3.525 219 2HG ARG 28 HG2 ARG 28 -5.552 -7.826 -3.067 220 1HD ARG 28 HD2 ARG 28 -3.497 -5.843 -4.002 221 2HD ARG 28 HD3 ARG 28 -4.673 -6.618 -5.059 222 HE ARG 28 HE ARG 28 -5.157 -4.427 -3.285 223 1HH1 ARG 28 HH11 ARG 28 -6.893 -6.071 -5.867 224 2HH1 ARG 28 HH12 ARG 28 -7.635 -7.068 -4.643 225 1HH2 ARG 28 HH21 ARG 28 -7.595 -3.522 -4.120 226 2HH2 ARG 28 HH22 ARG 28 -8.290 -4.529 -2.885 227 H TYR 29 HN TYR 29 -1.346 -8.682 -0.588 228 HA TYR 29 HA TYR 29 -1.120 -7.560 2.101 229 1HB TYR 29 HB3 TYR 29 0.710 -9.243 0.406 230 2HB TYR 29 HB2 TYR 29 1.323 -8.374 1.805 231 HD1 TYR 29 HD1 TYR 29 1.989 -10.747 2.511 232 HD2 TYR 29 HD2 TYR 29 -2.066 -9.510 2.212 233 HE1 TYR 29 HE1 TYR 29 1.324 -12.639 3.941 234 HE2 TYR 29 HE2 TYR 29 -2.748 -11.398 3.635 235 HH TYR 29 HH TYR 29 -1.415 -12.849 5.543 236 H VAL 30 HN VAL 30 -1.404 -5.470 1.653 237 HA VAL 30 HA VAL 30 -0.015 -4.040 -0.403 238 HB VAL 30 HB VAL 30 -1.520 -3.002 2.007 239 1HG1 VAL 30 HG21 VAL 30 -0.565 -1.526 -0.456 240 2HG1 VAL 30 HG22 VAL 30 -1.695 -0.881 0.730 241 3HG1 VAL 30 HG23 VAL 30 -0.036 -1.258 1.202 242 1HG2 VAL 30 HG11 VAL 30 -2.432 -3.154 -0.859 243 2HG2 VAL 30 HG12 VAL 30 -2.810 -4.390 0.349 244 3HG2 VAL 30 HG13 VAL 30 -3.396 -2.743 0.558 245 H PHE 31 HN PHE 31 2.078 -3.608 -0.362 246 HA PHE 31 HA PHE 31 3.340 -3.004 2.232 247 1HB PHE 31 HB2 PHE 31 4.804 -3.795 -0.282 248 2HB PHE 31 HB3 PHE 31 5.426 -3.759 1.359 249 HD1 PHE 31 HD1 PHE 31 4.242 -5.454 3.049 250 HD2 PHE 31 HD2 PHE 31 4.210 -5.756 -1.207 251 HE1 PHE 31 HE1 PHE 31 3.799 -7.877 3.211 252 HE2 PHE 31 HE2 PHE 31 3.763 -8.168 -1.042 253 HZ PHE 31 HZ PHE 31 3.554 -9.223 1.166 254 H LEU 32 HN LEU 32 3.942 -0.870 2.439 255 HA LEU 32 HA LEU 32 4.046 0.690 -0.047 256 1HB LEU 32 HB2 LEU 32 4.328 2.056 2.586 257 2HB LEU 32 HB3 LEU 32 3.637 2.626 1.076 258 HG LEU 32 HG LEU 32 2.285 0.687 2.951 259 1HD1 LEU 32 HD11 LEU 32 2.563 3.519 3.031 260 2HD1 LEU 32 HD12 LEU 32 0.886 3.133 2.657 261 3HD1 LEU 32 HD13 LEU 32 1.636 2.478 4.108 262 1HD2 LEU 32 HD21 LEU 32 1.896 0.782 0.337 263 2HD2 LEU 32 HD22 LEU 32 0.582 0.511 1.468 264 3HD2 LEU 32 HD23 LEU 32 0.840 2.119 0.792 265 H PHE 33 HN PHE 33 5.931 1.283 -0.866 266 HA PHE 33 HA PHE 33 8.335 1.027 0.819 267 1HB PHE 33 HB3 PHE 33 8.034 0.967 -2.202 268 2HB PHE 33 HB2 PHE 33 9.570 0.867 -1.358 269 HD1 PHE 33 HD1 PHE 33 8.969 -1.160 -3.274 270 HD2 PHE 33 HD2 PHE 33 7.802 -0.892 0.826 271 HE1 PHE 33 HE1 PHE 33 8.816 -3.612 -3.138 272 HE2 PHE 33 HE2 PHE 33 7.614 -3.349 0.940 273 HZ PHE 33 HZ PHE 33 8.145 -4.700 -1.050 274 H ARG 34 HN ARG 34 10.166 2.617 -0.282 275 HA ARG 34 HA ARG 34 9.070 5.228 0.228 276 1HB ARG 34 HB3 ARG 34 11.398 6.022 -0.090 277 2HB ARG 34 HB2 ARG 34 11.203 4.766 1.118 278 1HG ARG 34 HG2 ARG 34 13.185 4.279 -0.043 279 2HG ARG 34 HG3 ARG 34 11.979 3.100 -0.563 280 1HD ARG 34 HD2 ARG 34 11.665 4.224 -2.634 281 2HD ARG 34 HD3 ARG 34 12.618 5.604 -2.088 282 HE ARG 34 HE ARG 34 13.595 3.151 -3.203 283 1HH1 ARG 34 HH11 ARG 34 14.682 6.225 -1.740 284 2HH1 ARG 34 HH12 ARG 34 15.874 5.352 -0.805 285 1HH2 ARG 34 HH21 ARG 34 15.870 2.689 -3.130 286 2HH2 ARG 34 HH22 ARG 34 16.810 4.148 -3.127 287 H ASN 35 HN ASN 35 9.432 3.427 -2.603 288 HA ASN 35 HA ASN 35 9.404 5.871 -4.237 289 1HB ASN 35 HB2 ASN 35 10.085 4.436 -6.131 290 2HB ASN 35 HB3 ASN 35 11.245 4.386 -4.805 291 1HD2 ASN 35 HD21 ASN 35 9.717 2.544 -7.001 292 2HD2 ASN 35 HD22 ASN 35 9.984 1.006 -6.244 293 H LYS 36 HN LYS 36 7.587 2.969 -3.494 294 HA LYS 36 HA LYS 36 5.229 4.105 -4.628 295 1HB LYS 36 HB2 LYS 36 4.777 2.234 -6.216 296 2HB LYS 36 HB3 LYS 36 6.051 3.329 -6.720 297 1HG LYS 36 HG2 LYS 36 6.926 1.255 -7.236 298 2HG LYS 36 HG3 LYS 36 7.627 1.589 -5.653 299 1HD LYS 36 HD3 LYS 36 5.981 0.197 -4.569 300 2HD LYS 36 HD2 LYS 36 5.175 -0.095 -6.112 301 1HE LYS 36 HE3 LYS 36 8.046 -0.837 -5.620 302 2HE LYS 36 HE2 LYS 36 6.702 -1.924 -5.266 303 1HZ LYS 36 HZ1 LYS 36 6.848 -0.699 -7.925 304 2HZ LYS 36 HZ2 LYS 36 6.221 -2.204 -7.452 305 3HZ LYS 36 HZ3 LYS 36 7.900 -1.970 -7.579 306 H ILE 37 HN ILE 37 3.439 2.378 -4.669 307 HA ILE 37 HA ILE 37 3.567 0.936 -2.103 308 HB ILE 37 HB ILE 37 1.212 1.932 -3.755 309 1HG1 ILE 37 HG13 ILE 37 2.114 2.679 -0.961 310 2HG1 ILE 37 HG12 ILE 37 2.357 3.651 -2.410 311 1HG2 ILE 37 HG21 ILE 37 1.004 0.475 -1.129 312 2HG2 ILE 37 HG22 ILE 37 -0.293 0.944 -2.223 313 3HG2 ILE 37 HG23 ILE 37 0.848 -0.324 -2.693 314 1HD1 ILE 37 HD11 ILE 37 0.306 4.506 -2.295 315 2HD1 ILE 37 HD12 ILE 37 -0.428 2.931 -2.025 316 3HD1 ILE 37 HD13 ILE 37 0.241 3.845 -0.663 317 H MET 38 HN MET 38 4.100 -1.163 -2.466 318 HA MET 38 HA MET 38 3.189 -2.480 -4.926 319 1HB MET 38 HB2 MET 38 5.586 -2.555 -4.447 320 2HB MET 38 HB3 MET 38 5.264 -3.337 -2.909 321 1HG MET 38 HG3 MET 38 4.363 -5.270 -4.052 322 2HG MET 38 HG2 MET 38 4.638 -4.492 -5.615 323 1HE MET 38 HE1 MET 38 5.723 -6.645 -6.263 324 2HE MET 38 HE2 MET 38 7.378 -7.116 -5.866 325 3HE MET 38 HE3 MET 38 6.068 -7.513 -4.765 326 H PHE 39 HN PHE 39 1.163 -3.273 -4.578 327 HA PHE 39 HA PHE 39 0.752 -4.849 -2.118 328 1HB PHE 39 HB2 PHE 39 -1.723 -4.476 -2.497 329 2HB PHE 39 HB3 PHE 39 -0.787 -3.040 -2.106 330 HD1 PHE 39 HD1 PHE 39 0.033 -1.627 -4.183 331 HD2 PHE 39 HD2 PHE 39 -3.204 -4.378 -4.245 332 HE1 PHE 39 HE1 PHE 39 -0.903 -0.482 -6.157 333 HE2 PHE 39 HE2 PHE 39 -4.122 -3.242 -6.212 334 HZ PHE 39 HZ PHE 39 -2.976 -1.297 -7.173 335 H THR 40 HN THR 40 1.035 -6.885 -2.447 336 HA THR 40 HA THR 40 0.473 -8.083 -5.036 337 HB THR 40 HB THR 40 1.537 -10.088 -4.032 338 HG1 THR 40 HG1 THR 40 2.074 -8.421 -1.796 339 1HG2 THR 40 HG21 THR 40 2.954 -8.435 -5.161 340 2HG2 THR 40 HG22 THR 40 3.782 -9.239 -3.821 341 3HG2 THR 40 HG23 THR 40 3.175 -7.601 -3.624 342 H GLU 41 HN GLU 41 -1.264 -9.305 -5.507 343 HA GLU 41 HA GLU 41 -3.318 -9.585 -3.493 344 1HB GLU 41 HB2 GLU 41 -3.942 -8.837 -5.730 345 2HB GLU 41 HB3 GLU 41 -3.307 -10.320 -6.425 346 1HG GLU 41 HG2 GLU 41 -5.029 -11.476 -4.849 347 2HG GLU 41 HG3 GLU 41 -5.772 -9.879 -4.801 348 H GLN 42 HN GLN 42 -3.986 -11.418 -2.550 349 HA GLN 42 HA GLN 42 -2.875 -13.974 -3.455 350 1HB GLN 42 HB2 GLN 42 -3.082 -13.162 -0.545 351 2HB GLN 42 HB3 GLN 42 -2.545 -14.724 -1.149 352 1HG GLN 42 HG2 GLN 42 -0.678 -13.481 -2.300 353 2HG GLN 42 HG3 GLN 42 -1.169 -12.070 -1.362 354 1HE2 GLN 42 HE21 GLN 42 1.110 -14.261 -1.421 355 2HE2 GLN 42 HE22 GLN 42 1.248 -14.771 0.223 356 H ASP 43 HN ASP 43 -4.869 -14.293 -4.437 357 HA ASP 43 HA ASP 43 -7.220 -14.428 -2.732 358 1HB ASP 43 HB3 ASP 43 -7.333 -13.359 -5.014 359 2HB ASP 43 HB2 ASP 43 -7.026 -14.949 -5.715 360 H ALA 44 HN ALA 44 -6.352 -16.154 -1.513 361 HA ALA 44 HA ALA 44 -6.240 -18.301 -0.854 362 1HB ALA 44 HB1 ALA 44 -7.838 -19.794 -1.622 363 2HB ALA 44 HB2 ALA 44 -8.543 -18.232 -2.045 364 3HB ALA 44 HB3 ALA 44 -7.748 -19.196 -3.282 365 H SER 45 HN SER 45 -6.202 -20.564 -2.915 366 HA SER 45 HA SER 45 -3.556 -20.041 -4.054 367 1HB SER 45 HB3 SER 45 -3.087 -22.532 -3.426 368 2HB SER 45 HB2 SER 45 -2.942 -21.293 -2.179 369 HG SER 45 HG SER 45 -5.445 -22.467 -2.492 370 H THR 46 HN THR 46 -3.422 -20.536 -6.068 371 HA THR 46 HA THR 46 -3.905 -21.168 -8.174 372 HB THR 46 HB THR 46 -4.679 -23.544 -8.525 373 HG1 THR 46 HG1 THR 46 -5.431 -23.343 -6.015 374 1HG2 THR 46 HG21 THR 46 -2.600 -24.394 -6.966 375 2HG2 THR 46 HG22 THR 46 -2.223 -22.693 -7.216 376 3HG2 THR 46 HG23 THR 46 -2.463 -23.748 -8.604 377 H SER 47 HN SER 47 -5.604 -19.410 -7.405 378 HA SER 47 HA SER 47 -8.278 -20.393 -8.143 379 1HB SER 47 HB2 SER 47 -7.435 -17.885 -6.651 380 2HB SER 47 HB3 SER 47 -9.097 -18.269 -7.098 381 HG SER 47 HG SER 47 -8.477 -20.364 -5.890 382 HA PRO 48 HA PRO 48 -8.411 -18.415 -12.057 383 1HB PRO 48 HB2 PRO 48 -10.301 -16.322 -11.405 384 2HB PRO 48 HB3 PRO 48 -10.532 -17.765 -12.389 385 1HG PRO 48 HG2 PRO 48 -11.290 -17.298 -9.600 386 2HG PRO 48 HG3 PRO 48 -11.794 -18.587 -10.704 387 1HD PRO 48 HD2 PRO 48 -10.162 -18.951 -8.552 388 2HD PRO 48 HD3 PRO 48 -10.159 -20.002 -9.980 389 HA PRO 49 HA PRO 49 -7.177 -13.839 -11.296 390 1HB PRO 49 HB2 PRO 49 -7.040 -13.414 -8.404 391 2HB PRO 49 HB3 PRO 49 -7.909 -12.486 -9.625 392 1HG PRO 49 HG3 PRO 49 -9.170 -14.033 -7.790 393 2HG PRO 49 HG2 PRO 49 -9.818 -13.747 -9.421 394 1HD PRO 49 HD3 PRO 49 -8.336 -16.119 -8.350 395 2HD PRO 49 HD2 PRO 49 -9.753 -16.070 -9.420 396 H SER 50 HN SER 50 -6.002 -14.472 -8.091 397 HA SER 50 HA SER 50 -3.956 -14.859 -7.233 398 1HB SER 50 HB3 SER 50 -3.434 -16.328 -9.832 399 2HB SER 50 HB2 SER 50 -2.515 -16.479 -8.336 400 HG SER 50 HG SER 50 -5.072 -17.412 -8.963 401 H TYR 51 HN TYR 51 -3.748 -12.507 -7.516 402 HA TYR 51 HA TYR 51 -2.413 -10.710 -7.801 403 1HB TYR 51 HB2 TYR 51 -0.464 -12.197 -7.706 404 2HB TYR 51 HB3 TYR 51 -0.641 -12.546 -9.425 405 HD1 TYR 51 HD1 TYR 51 -0.495 -9.490 -7.273 406 HD2 TYR 51 HD2 TYR 51 0.876 -11.432 -10.793 407 HE1 TYR 51 HE1 TYR 51 0.893 -7.541 -7.785 408 HE2 TYR 51 HE2 TYR 51 2.278 -9.481 -11.329 409 HH TYR 51 HH TYR 51 3.370 -7.515 -9.773 410 H THR 52 HN THR 52 -3.304 -9.179 -8.955 411 HA THR 52 HA THR 52 -4.381 -9.584 -11.540 412 HB THR 52 HB THR 52 -4.635 -6.963 -11.304 413 HG1 THR 52 HG1 THR 52 -4.834 -7.010 -8.700 414 1HG2 THR 52 HG21 THR 52 -6.053 -9.032 -9.678 415 2HG2 THR 52 HG22 THR 52 -6.557 -8.280 -11.189 416 3HG2 THR 52 HG23 THR 52 -6.548 -7.336 -9.697 417 H HIS 53 HN HIS 53 -3.712 -7.118 -12.834 418 HA HIS 53 HA HIS 53 -1.106 -7.903 -13.878 419 1HB HIS 53 HB2 HIS 53 -3.334 -6.171 -14.875 420 2HB HIS 53 HB3 HIS 53 -1.731 -6.022 -15.581 421 HD1 HIS 53 HD1 HIS 53 -3.708 -9.164 -14.632 422 HD2 HIS 53 HD2 HIS 53 -1.868 -7.385 -17.924 423 HE1 HIS 53 HE1 HIS 53 -3.991 -10.776 -16.514 424 HE2 HIS 53 HE2 HIS 53 -2.687 -9.799 -18.426 425 H TYR 54 HN TYR 54 0.454 -7.183 -12.613 426 HA TYR 54 HA TYR 54 1.909 -5.779 -11.589 427 1HB TYR 54 HB2 TYR 54 0.929 -4.051 -13.856 428 2HB TYR 54 HB3 TYR 54 2.182 -3.510 -12.740 429 HD1 TYR 54 HD1 TYR 54 1.390 -6.541 -14.780 430 HD2 TYR 54 HD2 TYR 54 4.396 -3.843 -13.427 431 HE1 TYR 54 HE1 TYR 54 3.077 -7.771 -16.069 432 HE2 TYR 54 HE2 TYR 54 6.088 -5.093 -14.722 433 HH TYR 54 HH TYR 54 5.616 -6.921 -17.112 434 H SER 55 HN SER 55 0.290 -5.872 -9.776 435 HA SER 55 HA SER 55 -1.336 -3.557 -9.299 436 1HB SER 55 HB3 SER 55 -0.517 -5.464 -7.145 437 2HB SER 55 HB2 SER 55 -2.083 -4.707 -7.435 438 HG SER 55 HG SER 55 -2.617 -6.368 -8.630 439 H SER 56 HN SER 56 0.281 -1.935 -9.558 440 HA SER 56 HA SER 56 1.726 -1.454 -7.069 441 1HB SER 56 HB2 SER 56 3.316 -2.473 -8.716 442 2HB SER 56 HB3 SER 56 2.980 -1.126 -9.802 443 HG SER 56 HG SER 56 4.663 -0.374 -8.784 444 H ILE 57 HN ILE 57 1.422 0.509 -6.359 445 HA ILE 57 HA ILE 57 0.261 2.547 -8.159 446 HB ILE 57 HB ILE 57 0.081 2.123 -5.181 447 1HG1 ILE 57 HG13 ILE 57 -1.602 1.002 -6.583 448 2HG1 ILE 57 HG12 ILE 57 -2.322 2.241 -5.565 449 1HG2 ILE 57 HG21 ILE 57 -1.103 4.564 -6.411 450 2HG2 ILE 57 HG22 ILE 57 -0.634 4.262 -4.737 451 3HG2 ILE 57 HG23 ILE 57 0.597 4.578 -5.964 452 1HD1 ILE 57 HD11 ILE 57 -2.401 1.982 -8.427 453 2HD1 ILE 57 HD12 ILE 57 -3.317 3.040 -7.346 454 3HD1 ILE 57 HD13 ILE 57 -1.750 3.555 -7.940 455 H ARG 58 HN ARG 58 1.481 4.309 -8.624 456 HA ARG 58 HA ARG 58 4.133 4.453 -7.598 457 1HB ARG 58 HB3 ARG 58 2.920 5.375 -9.863 458 2HB ARG 58 HB2 ARG 58 3.129 6.858 -8.941 459 1HG ARG 58 HG3 ARG 58 5.288 4.904 -9.702 460 2HG ARG 58 HG2 ARG 58 5.007 6.498 -10.401 461 1HD ARG 58 HD3 ARG 58 5.670 7.605 -8.460 462 2HD ARG 58 HD2 ARG 58 5.545 6.146 -7.475 463 HE ARG 58 HE ARG 58 7.708 5.688 -8.033 464 1HH1 ARG 58 HH11 ARG 58 6.721 7.312 -11.265 465 2HH1 ARG 58 HH12 ARG 58 7.714 8.546 -10.536 466 1HH2 ARG 58 HH22 ARG 58 9.414 5.514 -10.465 467 2HH2 ARG 58 HH21 ARG 58 9.918 6.966 -9.649 468 H LEU 59 HN LEU 59 4.913 5.651 -5.977 469 HA LEU 59 HA LEU 59 3.020 7.112 -4.316 470 1HB LEU 59 HB2 LEU 59 4.751 5.365 -3.529 471 2HB LEU 59 HB3 LEU 59 5.907 6.678 -3.657 472 HG LEU 59 HG LEU 59 4.473 7.992 -2.080 473 1HD1 LEU 59 HD11 LEU 59 2.388 6.775 -2.482 474 2HD1 LEU 59 HD12 LEU 59 3.062 5.353 -1.688 475 3HD1 LEU 59 HD13 LEU 59 2.790 6.850 -0.769 476 1HD2 LEU 59 HD21 LEU 59 5.983 7.277 -0.626 477 2HD2 LEU 59 HD22 LEU 59 4.959 5.872 -0.291 478 3HD2 LEU 59 HD23 LEU 59 6.201 5.784 -1.536 479 H ASP 60 HN ASP 60 4.613 8.060 -6.894 480 HA ASP 60 HA ASP 60 5.755 10.507 -5.760 481 1HB ASP 60 HB3 ASP 60 7.125 9.235 -7.331 482 2HB ASP 60 HB2 ASP 60 5.886 9.412 -8.571 483 H LYS 61 HN LYS 61 3.242 9.414 -7.955 484 HA LYS 61 HA LYS 61 1.902 11.968 -7.632 485 1HB LYS 61 HB2 LYS 61 2.963 10.981 -10.249 486 2HB LYS 61 HB3 LYS 61 1.407 11.801 -10.233 487 1HG LYS 61 HG2 LYS 61 2.588 13.708 -9.015 488 2HG LYS 61 HG3 LYS 61 4.097 12.899 -9.442 489 1HD LYS 61 HD3 LYS 61 2.026 13.566 -11.496 490 2HD LYS 61 HD2 LYS 61 3.246 14.737 -10.997 491 1HE LYS 61 HE2 LYS 61 4.101 13.688 -12.933 492 2HE LYS 61 HE3 LYS 61 4.986 12.994 -11.578 493 1HZ LYS 61 HZ1 LYS 61 3.980 10.965 -11.857 494 2HZ LYS 61 HZ2 LYS 61 4.013 11.514 -13.468 495 3HZ LYS 61 HZ3 LYS 61 2.586 11.617 -12.559 496 H TYR 62 HN TYR 62 0.281 10.902 -6.517 497 HA TYR 62 HA TYR 62 -1.603 9.506 -8.200 498 1HB TYR 62 HB3 TYR 62 -1.848 7.542 -6.857 499 2HB TYR 62 HB2 TYR 62 -0.126 7.700 -7.192 500 HD1 TYR 62 HD1 TYR 62 1.214 9.054 -5.293 501 HD2 TYR 62 HD2 TYR 62 -2.538 7.084 -4.757 502 HE1 TYR 62 HE1 TYR 62 1.610 8.968 -2.880 503 HE2 TYR 62 HE2 TYR 62 -2.141 6.980 -2.345 504 HH TYR 62 HH TYR 62 0.622 8.617 -0.866 505 H ASN 63 HN ASN 63 -3.741 9.766 -7.449 506 HA ASN 63 HA ASN 63 -3.951 11.739 -5.306 507 1HB ASN 63 HB2 ASN 63 -4.923 12.260 -7.513 508 2HB ASN 63 HB3 ASN 63 -6.029 10.909 -7.310 509 1HD2 ASN 63 HD21 ASN 63 -7.912 11.894 -7.166 510 2HD2 ASN 63 HD22 ASN 63 -8.264 13.281 -6.211 511 H ILE 64 HN ILE 64 -3.991 10.657 -3.468 512 HA ILE 64 HA ILE 64 -5.862 8.410 -3.155 513 HB ILE 64 HB ILE 64 -3.495 8.099 -2.459 514 1HG1 ILE 64 HG12 ILE 64 -5.395 7.870 -0.127 515 2HG1 ILE 64 HG13 ILE 64 -5.482 6.812 -1.538 516 1HG2 ILE 64 HG21 ILE 64 -4.155 10.425 -0.796 517 2HG2 ILE 64 HG22 ILE 64 -3.315 9.124 0.052 518 3HG2 ILE 64 HG23 ILE 64 -2.586 9.853 -1.378 519 1HD1 ILE 64 HD11 ILE 64 -4.231 5.704 0.196 520 2HD1 ILE 64 HD12 ILE 64 -3.125 6.146 -1.103 521 3HD1 ILE 64 HD13 ILE 64 -3.168 7.102 0.376 522 H ARG 65 HN ARG 65 -7.541 8.411 -1.792 523 HA ARG 65 HA ARG 65 -8.005 10.710 -0.044 524 1HB ARG 65 HB2 ARG 65 -10.176 9.722 -1.844 525 2HB ARG 65 HB3 ARG 65 -10.137 11.201 -0.916 526 1HG ARG 65 HG3 ARG 65 -8.321 12.002 -2.416 527 2HG ARG 65 HG2 ARG 65 -8.625 10.583 -3.422 528 1HD ARG 65 HD3 ARG 65 -9.824 12.442 -4.353 529 2HD ARG 65 HD2 ARG 65 -10.989 11.328 -3.640 530 HE ARG 65 HE ARG 65 -11.673 13.043 -2.297 531 1HH1 ARG 65 HH11 ARG 65 -8.858 14.752 -3.809 532 2HH1 ARG 65 HH12 ARG 65 -8.028 14.292 -2.345 533 1HH2 ARG 65 HH22 ARG 65 -11.288 15.778 -1.922 534 2HH2 ARG 65 HH21 ARG 65 -10.520 15.123 -0.515 535 H GLN 66 HN GLN 66 -10.336 10.164 1.059 536 HA GLN 66 HA GLN 66 -10.720 7.331 1.444 537 1HB GLN 66 HB3 GLN 66 -10.141 7.124 3.688 538 2HB GLN 66 HB2 GLN 66 -8.797 8.001 2.983 539 1HG GLN 66 HG2 GLN 66 -11.042 9.253 4.550 540 2HG GLN 66 HG3 GLN 66 -9.467 8.831 5.211 541 1HE2 GLN 66 HE21 GLN 66 -11.230 11.298 4.277 542 2HE2 GLN 66 HE22 GLN 66 -9.940 12.417 3.995 543 H HIS 67 HN HIS 67 -12.668 6.860 2.747 544 HA HIS 67 HA HIS 67 -14.424 9.219 2.914 545 1HB HIS 67 HB3 HIS 67 -15.083 6.415 2.017 546 2HB HIS 67 HB2 HIS 67 -16.305 7.631 2.385 547 HD1 HIS 67 HD1 HIS 67 -15.790 10.006 0.890 548 HD2 HIS 67 HD2 HIS 67 -14.449 6.345 -0.577 549 HE1 HIS 67 HE1 HIS 67 -15.472 10.339 -1.584 550 HE2 HIS 67 HE2 HIS 67 -14.557 8.136 -2.437 551 H THR 68 HN THR 68 -15.708 9.434 4.687 552 HA THR 68 HA THR 68 -14.914 7.911 6.990 553 HB THR 68 HB THR 68 -16.978 10.118 6.802 554 HG1 THR 68 HG1 THR 68 -15.298 11.498 7.263 555 1HG2 THR 68 HG21 THR 68 -15.623 8.767 9.068 556 2HG2 THR 68 HG22 THR 68 -17.262 9.400 8.937 557 3HG2 THR 68 HG23 THR 68 -15.905 10.505 9.181 558 H THR 69 HN THR 69 -15.750 6.061 7.447 559 HA THR 69 HA THR 69 -18.561 5.633 7.768 560 HB THR 69 HB THR 69 -17.117 3.666 5.991 561 HG1 THR 69 HG1 THR 69 -18.118 6.144 5.293 562 1HG2 THR 69 HG21 THR 69 -19.028 2.576 6.401 563 2HG2 THR 69 HG22 THR 69 -19.702 3.666 5.190 564 3HG2 THR 69 HG23 THR 69 -19.873 4.036 6.907 565 H ASP 70 HN ASP 70 -18.531 2.927 8.450 566 HA ASP 70 HA ASP 70 -17.357 2.722 10.876 567 1HB ASP 70 HB2 ASP 70 -17.575 0.435 8.907 568 2HB ASP 70 HB3 ASP 70 -17.467 0.292 10.654 569 H GLU 71 HN GLU 71 -15.879 1.707 7.820 570 HA GLU 71 HA GLU 71 -13.272 1.901 9.171 571 1HB GLU 71 HB3 GLU 71 -13.915 0.095 6.830 572 2HB GLU 71 HB2 GLU 71 -12.375 0.220 7.665 573 1HG GLU 71 HG3 GLU 71 -13.442 -0.652 9.703 574 2HG GLU 71 HG2 GLU 71 -14.939 -0.874 8.790 575 H ASP 72 HN ASP 72 -12.189 3.597 8.475 576 HA ASP 72 HA ASP 72 -12.952 5.251 6.366 577 1HB ASP 72 HB3 ASP 72 -10.242 4.969 7.665 578 2HB ASP 72 HB2 ASP 72 -10.693 6.270 6.566 579 H THR 73 HN THR 73 -13.167 4.558 4.410 580 HA THR 73 HA THR 73 -11.550 2.540 3.221 581 HB THR 73 HB THR 73 -13.496 4.387 1.851 582 HG1 THR 73 HG1 THR 73 -13.922 2.693 3.907 583 1HG2 THR 73 HG21 THR 73 -13.571 1.544 1.276 584 2HG2 THR 73 HG22 THR 73 -12.031 2.294 0.854 585 3HG2 THR 73 HG23 THR 73 -13.539 2.915 0.170 586 H ILE 74 HN ILE 74 -9.500 2.991 2.727 587 HA ILE 74 HA ILE 74 -8.700 5.611 1.810 588 HB ILE 74 HB ILE 74 -7.030 3.091 1.936 589 1HG1 ILE 74 HG13 ILE 74 -8.119 3.685 4.134 590 2HG1 ILE 74 HG12 ILE 74 -6.358 3.704 4.151 591 1HG2 ILE 74 HG21 ILE 74 -5.496 5.354 2.491 592 2HG2 ILE 74 HG22 ILE 74 -5.451 4.344 1.050 593 3HG2 ILE 74 HG23 ILE 74 -6.489 5.782 1.103 594 1HD1 ILE 74 HD11 ILE 74 -8.209 5.816 4.751 595 2HD1 ILE 74 HD12 ILE 74 -6.468 5.737 5.028 596 3HD1 ILE 74 HD13 ILE 74 -7.089 6.307 3.482 597 H VAL 75 HN VAL 75 -9.544 5.956 -0.221 598 HA VAL 75 HA VAL 75 -9.191 3.899 -2.244 599 HB VAL 75 HB VAL 75 -10.748 5.086 -3.592 600 1HG1 VAL 75 HG11 VAL 75 -11.594 4.966 -0.720 601 2HG1 VAL 75 HG12 VAL 75 -12.718 5.252 -2.052 602 3HG1 VAL 75 HG13 VAL 75 -11.803 3.737 -1.965 603 1HG2 VAL 75 HG21 VAL 75 -11.743 7.237 -2.944 604 2HG2 VAL 75 HG22 VAL 75 -10.644 7.319 -1.560 605 3HG2 VAL 75 HG23 VAL 75 -10.004 7.374 -3.206 606 H LEU 76 HN LEU 76 -7.834 4.042 -3.930 607 HA LEU 76 HA LEU 76 -6.188 6.480 -4.110 608 1HB LEU 76 HB2 LEU 76 -5.476 3.659 -4.934 609 2HB LEU 76 HB3 LEU 76 -4.464 5.070 -5.172 610 HG LEU 76 HG LEU 76 -4.481 5.332 -2.649 611 1HD1 LEU 76 HD11 LEU 76 -6.390 3.616 -2.434 612 2HD1 LEU 76 HD12 LEU 76 -5.101 2.411 -2.561 613 3HD1 LEU 76 HD13 LEU 76 -5.087 3.591 -1.253 614 1HD2 LEU 76 HD21 LEU 76 -2.430 4.501 -2.802 615 2HD2 LEU 76 HD22 LEU 76 -3.038 2.864 -3.014 616 3HD2 LEU 76 HD23 LEU 76 -2.851 3.916 -4.423 617 H GLN 77 HN GLN 77 -6.474 7.672 -5.805 618 HA GLN 77 HA GLN 77 -7.708 6.451 -8.184 619 1HB GLN 77 HB2 GLN 77 -7.879 9.289 -7.177 620 2HB GLN 77 HB3 GLN 77 -8.641 8.657 -8.628 621 1HG GLN 77 HG3 GLN 77 -9.997 7.154 -7.303 622 2HG GLN 77 HG2 GLN 77 -9.219 7.724 -5.829 623 1HE2 GLN 77 HE21 GLN 77 -9.444 10.320 -7.812 624 2HE2 GLN 77 HE22 GLN 77 -10.965 10.953 -7.299 625 HA PRO 78 HA PRO 78 -4.001 7.706 -10.253 626 1HB PRO 78 HB2 PRO 78 -4.470 6.499 -12.571 627 2HB PRO 78 HB3 PRO 78 -4.261 5.561 -11.087 628 1HG PRO 78 HG3 PRO 78 -6.777 6.252 -12.548 629 2HG PRO 78 HG2 PRO 78 -6.335 4.753 -11.720 630 1HD PRO 78 HD3 PRO 78 -7.912 6.824 -10.679 631 2HD PRO 78 HD2 PRO 78 -7.185 5.499 -9.754 632 H GLN 79 HN GLN 79 -3.922 9.870 -10.667 633 HA GLN 79 HA GLN 79 -5.803 11.236 -12.342 634 1HB GLN 79 HB2 GLN 79 -4.403 13.177 -12.017 635 2HB GLN 79 HB3 GLN 79 -4.541 12.332 -10.483 636 1HG GLN 79 HG2 GLN 79 -2.182 12.230 -12.356 637 2HG GLN 79 HG3 GLN 79 -2.270 13.119 -10.840 638 1HE2 GLN 79 HE21 GLN 79 -0.761 10.722 -12.058 639 2HE2 GLN 79 HE22 GLN 79 -0.574 9.756 -10.643 640 H GLU 80 HN GLU 80 -3.480 9.085 -13.038 641 HA GLU 80 HA GLU 80 -3.063 10.116 -15.743 642 1HB GLU 80 HB3 GLU 80 -0.977 8.937 -13.903 643 2HB GLU 80 HB2 GLU 80 -0.747 9.114 -15.637 644 1HG GLU 80 HG3 GLU 80 -0.899 11.509 -15.466 645 2HG GLU 80 HG2 GLU 80 -1.344 11.394 -13.765 646 HA PRO 81 HA PRO 81 -4.951 6.188 -16.641 647 1HB PRO 81 HB3 PRO 81 -3.719 6.625 -19.298 648 2HB PRO 81 HB2 PRO 81 -5.405 6.343 -18.882 649 1HG PRO 81 HG3 PRO 81 -4.530 8.763 -19.624 650 2HG PRO 81 HG2 PRO 81 -5.811 8.555 -18.421 651 1HD PRO 81 HD3 PRO 81 -2.948 9.271 -18.042 652 2HD PRO 81 HD2 PRO 81 -4.370 9.814 -17.123 653 H GLY 82 HN GLY 82 -3.983 4.393 -15.886 654 1HA GLY 82 HA1 GLY 82 -2.327 2.673 -17.023 655 2HA GLY 82 HA2 GLY 82 -1.159 3.904 -16.555 656 H LEU 83 HN LEU 83 -2.669 4.571 -14.131 657 HA LEU 83 HA LEU 83 -1.667 2.419 -12.439 658 1HB LEU 83 HB3 LEU 83 -2.672 5.192 -11.793 659 2HB LEU 83 HB2 LEU 83 -2.133 4.027 -10.606 660 HG LEU 83 HG LEU 83 -0.413 5.210 -12.774 661 1HD1 LEU 83 HD21 LEU 83 -0.329 5.716 -9.797 662 2HD1 LEU 83 HD22 LEU 83 0.635 6.480 -11.045 663 3HD1 LEU 83 HD23 LEU 83 -1.106 6.796 -10.960 664 1HD2 LEU 83 HD11 LEU 83 1.129 4.084 -10.744 665 2HD2 LEU 83 HD12 LEU 83 -0.121 2.898 -11.098 666 3HD2 LEU 83 HD13 LEU 83 0.924 3.491 -12.393 667 HA PRO 84 HA PRO 84 -5.760 0.831 -11.836 668 1HB PRO 84 HB2 PRO 84 -5.300 -0.676 -9.637 669 2HB PRO 84 HB3 PRO 84 -4.727 -1.140 -11.235 670 1HG PRO 84 HG2 PRO 84 -3.233 0.155 -8.978 671 2HG PRO 84 HG3 PRO 84 -2.707 -1.138 -10.070 672 1HD PRO 84 HD2 PRO 84 -1.962 1.462 -10.384 673 2HD PRO 84 HD3 PRO 84 -2.128 0.318 -11.728 674 H SER 85 HN SER 85 -7.561 1.303 -10.614 675 HA SER 85 HA SER 85 -7.135 3.128 -8.332 676 1HB SER 85 HB3 SER 85 -9.615 3.785 -8.947 677 2HB SER 85 HB2 SER 85 -8.261 4.470 -9.846 678 HG SER 85 HG SER 85 -8.586 2.825 -11.427 679 H PHE 86 HN PHE 86 -7.453 2.093 -6.483 680 HA PHE 86 HA PHE 86 -9.781 0.339 -6.267 681 1HB PHE 86 HB3 PHE 86 -8.548 -1.397 -5.205 682 2HB PHE 86 HB2 PHE 86 -7.711 -1.022 -6.704 683 HD1 PHE 86 HD1 PHE 86 -5.858 0.899 -6.357 684 HD2 PHE 86 HD2 PHE 86 -7.259 -1.808 -3.426 685 HE1 PHE 86 HE1 PHE 86 -3.749 1.174 -5.127 686 HE2 PHE 86 HE2 PHE 86 -5.151 -1.571 -2.185 687 HZ PHE 86 HZ PHE 86 -3.389 -0.057 -3.024 688 H ARG 87 HN ARG 87 -9.881 -0.370 -3.765 689 HA ARG 87 HA ARG 87 -9.265 2.013 -2.162 690 1HB ARG 87 HB3 ARG 87 -11.742 0.444 -1.585 691 2HB ARG 87 HB2 ARG 87 -11.419 2.143 -1.318 692 1HG ARG 87 HG3 ARG 87 -12.062 2.757 -3.408 693 2HG ARG 87 HG2 ARG 87 -11.641 1.199 -4.125 694 1HD ARG 87 HD3 ARG 87 -13.554 0.174 -3.048 695 2HD ARG 87 HD2 ARG 87 -13.964 1.698 -2.266 696 HE ARG 87 HE ARG 87 -13.904 2.124 -5.028 697 1HH1 ARG 87 HH12 ARG 87 -16.004 0.710 -2.527 698 2HH1 ARG 87 HH11 ARG 87 -17.030 0.010 -3.747 699 1HH2 ARG 87 HH21 ARG 87 -16.018 1.223 -6.407 700 2HH2 ARG 87 HH22 ARG 87 -16.918 2.413 -5.506 701 H ILE 88 HN ILE 88 -8.625 1.556 -0.047 702 HA ILE 88 HA ILE 88 -8.614 -1.286 0.675 703 HB ILE 88 HB ILE 88 -6.337 -0.735 1.835 704 1HG1 ILE 88 HG12 ILE 88 -6.337 1.250 -0.461 705 2HG1 ILE 88 HG13 ILE 88 -6.314 1.664 1.249 706 1HG2 ILE 88 HG21 ILE 88 -5.180 -1.441 -0.308 707 2HG2 ILE 88 HG22 ILE 88 -6.483 -2.476 0.287 708 3HG2 ILE 88 HG23 ILE 88 -6.777 -1.381 -1.055 709 1HD1 ILE 88 HD11 ILE 88 -4.159 0.530 1.470 710 2HD1 ILE 88 HD12 ILE 88 -4.161 0.233 -0.268 711 3HD1 ILE 88 HD13 ILE 88 -4.129 1.889 0.351 712 H LYS 89 HN LYS 89 -9.316 -1.782 2.596 713 HA LYS 89 HA LYS 89 -9.237 0.188 4.722 714 1HB LYS 89 HB3 LYS 89 -11.476 -0.336 5.414 715 2HB LYS 89 HB2 LYS 89 -11.585 0.043 3.702 716 1HG LYS 89 HG2 LYS 89 -11.994 -2.161 3.108 717 2HG LYS 89 HG3 LYS 89 -11.334 -2.796 4.626 718 1HD LYS 89 HD2 LYS 89 -13.224 -1.693 5.819 719 2HD LYS 89 HD3 LYS 89 -13.919 -1.285 4.249 720 1HE LYS 89 HE2 LYS 89 -14.098 -3.628 3.690 721 2HE LYS 89 HE3 LYS 89 -13.295 -4.072 5.200 722 1HZ LYS 89 HZ1 LYS 89 -15.857 -2.571 5.089 723 2HZ LYS 89 HZ2 LYS 89 -15.117 -3.255 6.458 724 3HZ LYS 89 HZ3 LYS 89 -15.762 -4.254 5.245 725 HA PRO 90 HA PRO 90 -7.254 -2.975 7.001 726 1HB PRO 90 HB3 PRO 90 -9.469 -2.874 9.000 727 2HB PRO 90 HB2 PRO 90 -7.723 -2.794 9.260 728 1HG PRO 90 HG3 PRO 90 -9.241 -0.616 9.371 729 2HG PRO 90 HG2 PRO 90 -7.617 -0.562 8.674 730 1HD PRO 90 HD3 PRO 90 -10.246 -0.455 7.309 731 2HD PRO 90 HD2 PRO 90 -8.693 0.259 6.841 732 H LYS 91 HN LYS 91 -10.776 -3.443 7.005 733 HA LYS 91 HA LYS 91 -12.091 -5.291 6.844 734 1HB LYS 91 HB2 LYS 91 -10.572 -4.994 4.556 735 2HB LYS 91 HB3 LYS 91 -10.359 -6.687 4.979 736 1HG LYS 91 HG3 LYS 91 -13.045 -5.358 4.662 737 2HG LYS 91 HG2 LYS 91 -12.214 -6.251 3.388 738 1HD LYS 91 HD3 LYS 91 -12.858 -7.451 6.067 739 2HD LYS 91 HD2 LYS 91 -13.982 -7.489 4.707 740 1HE LYS 91 HE2 LYS 91 -12.278 -8.596 3.355 741 2HE LYS 91 HE3 LYS 91 -11.203 -8.629 4.750 742 1HZ LYS 91 HZ1 LYS 91 -13.811 -10.000 4.473 743 2HZ LYS 91 HZ2 LYS 91 -12.919 -9.944 5.914 744 3HZ LYS 91 HZ3 LYS 91 -12.284 -10.723 4.544 745 H ASP 92 HN ASP 92 -10.117 -5.431 8.918 746 HA ASP 92 HA ASP 92 -9.551 -8.323 8.918 747 1HB ASP 92 HB3 ASP 92 -7.660 -6.477 9.015 748 2HB ASP 92 HB2 ASP 92 -8.095 -6.434 10.722 749 H PHE 93 HN PHE 93 -9.542 -6.038 11.648 750 HA PHE 93 HA PHE 93 -11.774 -7.570 12.795 751 1HB PHE 93 HB2 PHE 93 -9.368 -6.615 14.362 752 2HB PHE 93 HB3 PHE 93 -10.747 -7.521 14.981 753 HD1 PHE 93 HD1 PHE 93 -7.715 -7.708 12.959 754 HD2 PHE 93 HD2 PHE 93 -10.934 -9.882 14.703 755 HE1 PHE 93 HE1 PHE 93 -6.514 -9.811 12.531 756 HE2 PHE 93 HE2 PHE 93 -9.742 -11.998 14.294 757 HZ PHE 93 HZ PHE 93 -7.533 -11.969 13.203 758 H GLU 94 HN GLU 94 -11.986 -6.221 15.189 759 HA GLU 94 HA GLU 94 -13.094 -3.685 14.294 760 1HB GLU 94 HB3 GLU 94 -14.353 -5.246 15.828 761 2HB GLU 94 HB2 GLU 94 -13.174 -4.859 17.077 762 1HG GLU 94 HG3 GLU 94 -13.801 -2.500 16.940 763 2HG GLU 94 HG2 GLU 94 -14.999 -2.895 15.710 764 H THR 95 HN THR 95 -10.612 -4.903 16.489 765 HA THR 95 HA THR 95 -9.852 -2.262 17.336 766 HB THR 95 HB THR 95 -8.165 -4.720 17.697 767 HG1 THR 95 HG1 THR 95 -10.643 -4.072 18.860 768 1HG2 THR 95 HG21 THR 95 -8.793 -2.599 19.715 769 2HG2 THR 95 HG22 THR 95 -7.488 -2.407 18.550 770 3HG2 THR 95 HG23 THR 95 -7.453 -3.752 19.692 771 H SER 96 HN SER 96 -9.597 -3.631 14.505 772 HA SER 96 HA SER 96 -6.837 -3.030 13.873 773 1HB SER 96 HB3 SER 96 -9.125 -3.790 12.034 774 2HB SER 96 HB2 SER 96 -7.413 -3.766 11.602 775 HG SER 96 HG SER 96 -7.348 -5.734 12.320 776 H GLU 97 HN GLU 97 -9.372 -1.239 14.596 777 HA GLU 97 HA GLU 97 -9.548 0.744 12.588 778 1HB GLU 97 HB2 GLU 97 -11.017 0.219 14.695 779 2HB GLU 97 HB3 GLU 97 -9.894 1.290 15.497 780 1HG GLU 97 HG2 GLU 97 -11.511 2.075 13.103 781 2HG GLU 97 HG3 GLU 97 -12.011 2.343 14.770 782 H TYR 98 HN TYR 98 -7.649 0.505 15.622 783 HA TYR 98 HA TYR 98 -6.289 2.946 15.196 784 1HB TYR 98 HB2 TYR 98 -5.881 0.592 16.996 785 2HB TYR 98 HB3 TYR 98 -4.633 1.830 16.870 786 HD1 TYR 98 HD1 TYR 98 -8.354 1.738 17.196 787 HD2 TYR 98 HD2 TYR 98 -4.674 3.427 18.518 788 HE1 TYR 98 HE1 TYR 98 -9.587 3.133 18.773 789 HE2 TYR 98 HE2 TYR 98 -5.899 4.843 20.120 790 HH TYR 98 HH TYR 98 -9.080 4.302 20.982 791 H VAL 99 HN VAL 99 -6.061 -0.059 13.752 792 HA VAL 99 HA VAL 99 -3.268 0.163 12.964 793 HB VAL 99 HB VAL 99 -5.350 -1.716 11.807 794 1HG1 VAL 99 HG21 VAL 99 -3.167 -1.153 10.596 795 2HG1 VAL 99 HG22 VAL 99 -2.374 -2.093 11.861 796 3HG1 VAL 99 HG23 VAL 99 -3.567 -2.856 10.820 797 1HG2 VAL 99 HG11 VAL 99 -3.722 -1.888 14.309 798 2HG2 VAL 99 HG12 VAL 99 -5.306 -2.584 13.957 799 3HG2 VAL 99 HG13 VAL 99 -3.845 -3.345 13.330 800 H ARG 100 HN ARG 100 -6.503 0.744 11.822 801 HA ARG 100 HA ARG 100 -5.944 1.509 9.159 802 1HB ARG 100 HB2 ARG 100 -8.243 1.001 10.014 803 2HB ARG 100 HB3 ARG 100 -8.176 2.491 10.940 804 1HG ARG 100 HG2 ARG 100 -8.270 3.839 9.066 805 2HG ARG 100 HG3 ARG 100 -7.653 2.580 8.011 806 1HD ARG 100 HD2 ARG 100 -10.238 3.316 8.114 807 2HD ARG 100 HD3 ARG 100 -9.643 1.762 7.557 808 HE ARG 100 HE ARG 100 -10.629 0.756 9.354 809 1HH1 ARG 100 HH12 ARG 100 -11.358 4.366 10.347 810 2HH1 ARG 100 HH11 ARG 100 -10.300 3.735 11.586 811 1HH2 ARG 100 HH21 ARG 100 -11.808 0.677 11.378 812 2HH2 ARG 100 HH22 ARG 100 -12.759 2.102 11.668 813 H LYS 101 HN LYS 101 -6.332 3.315 12.184 814 HA LYS 101 HA LYS 101 -5.801 5.850 11.084 815 1HB LYS 101 HB3 LYS 101 -5.712 4.693 13.845 816 2HB LYS 101 HB2 LYS 101 -5.102 6.321 13.551 817 1HG LYS 101 HG2 LYS 101 -7.207 7.033 12.690 818 2HG LYS 101 HG3 LYS 101 -7.849 5.391 12.762 819 1HD LYS 101 HD3 LYS 101 -7.887 5.407 15.118 820 2HD LYS 101 HD2 LYS 101 -6.842 6.830 15.192 821 1HE LYS 101 HE3 LYS 101 -9.083 7.550 15.676 822 2HE LYS 101 HE2 LYS 101 -8.656 8.109 14.054 823 1HZ LYS 101 HZ1 LYS 101 -9.988 6.551 13.057 824 2HZ LYS 101 HZ2 LYS 101 -10.913 7.073 14.373 825 3HZ LYS 101 HZ3 LYS 101 -10.100 5.584 14.444 826 H ALA 102 HN ALA 102 -3.665 3.282 12.105 827 HA ALA 102 HA ALA 102 -1.286 4.854 12.217 828 1HB ALA 102 HB1 ALA 102 -0.165 2.906 12.710 829 2HB ALA 102 HB2 ALA 102 -1.806 2.443 13.182 830 3HB ALA 102 HB3 ALA 102 -1.158 1.937 11.621 831 H TRP 103 HN TRP 103 -3.134 3.542 9.694 832 HA TRP 103 HA TRP 103 -0.955 3.715 7.749 833 1HB TRP 103 HB3 TRP 103 -3.666 2.458 7.775 834 2HB TRP 103 HB2 TRP 103 -3.003 2.947 6.217 835 HD1 TRP 103 HD1 TRP 103 -1.911 0.747 9.258 836 HE1 TRP 103 HE1 TRP 103 -0.488 -1.203 8.352 837 HE3 TRP 103 HE3 TRP 103 -1.821 2.022 4.318 838 HZ2 TRP 103 HZ2 TRP 103 0.493 -2.106 5.854 839 HZ3 TRP 103 HZ3 TRP 103 -0.619 0.544 2.721 840 HH2 TRP 103 HH2 TRP 103 0.519 -1.462 3.491 841 H LEU 104 HN LEU 104 -4.031 5.144 8.687 842 HA LEU 104 HA LEU 104 -4.427 6.875 6.493 843 1HB LEU 104 HB2 LEU 104 -5.496 6.538 9.185 844 2HB LEU 104 HB3 LEU 104 -5.481 8.211 8.665 845 HG LEU 104 HG LEU 104 -6.580 6.243 6.751 846 1HD1 LEU 104 HD11 LEU 104 -8.553 7.148 8.718 847 2HD1 LEU 104 HD12 LEU 104 -8.395 5.598 7.894 848 3HD1 LEU 104 HD13 LEU 104 -7.418 5.935 9.322 849 1HD2 LEU 104 HD21 LEU 104 -8.216 8.102 6.463 850 2HD2 LEU 104 HD22 LEU 104 -7.314 9.022 7.661 851 3HD2 LEU 104 HD23 LEU 104 -6.544 8.542 6.132 852 H ARG 105 HN ARG 105 -2.455 7.114 9.327 853 HA ARG 105 HA ARG 105 -1.861 9.906 9.118 854 1HB ARG 105 HB2 ARG 105 -1.593 8.689 11.220 855 2HB ARG 105 HB3 ARG 105 -0.371 7.654 10.490 856 1HG ARG 105 HG2 ARG 105 1.064 9.627 10.164 857 2HG ARG 105 HG3 ARG 105 -0.157 10.618 10.971 858 1HD ARG 105 HD2 ARG 105 1.205 8.235 12.218 859 2HD ARG 105 HD3 ARG 105 1.698 9.910 12.465 860 HE ARG 105 HE ARG 105 -0.618 8.595 13.615 861 1HH1 ARG 105 HH12 ARG 105 1.239 11.755 14.014 862 2HH1 ARG 105 HH11 ARG 105 -0.134 12.436 13.189 863 1HH2 ARG 105 HH22 ARG 105 -1.111 10.554 15.836 864 2HH2 ARG 105 HH21 ARG 105 -2.283 10.916 14.603 865 H ASP 106 HN ASP 106 -0.150 6.926 8.190 866 HA ASP 106 HA ASP 106 2.052 8.177 6.966 867 1HB ASP 106 HB3 ASP 106 1.060 5.529 7.418 868 2HB ASP 106 HB2 ASP 106 1.595 5.663 5.758 869 H ILE 107 HN ILE 107 -1.134 7.384 5.904 870 HA ILE 107 HA ILE 107 -0.619 7.727 3.095 871 HB ILE 107 HB ILE 107 -2.915 6.984 4.767 872 1HG1 ILE 107 HG13 ILE 107 -3.385 5.531 2.796 873 2HG1 ILE 107 HG12 ILE 107 -2.063 6.312 1.937 874 1HG2 ILE 107 HG21 ILE 107 -4.260 7.606 2.439 875 2HG2 ILE 107 HG22 ILE 107 -4.402 8.480 3.964 876 3HG2 ILE 107 HG23 ILE 107 -3.275 9.038 2.732 877 1HD1 ILE 107 HD11 ILE 107 -1.981 4.363 4.183 878 2HD1 ILE 107 HD12 ILE 107 -1.040 4.416 2.691 879 3HD1 ILE 107 HD13 ILE 107 -0.658 5.520 4.008 880 H ALA 108 HN ALA 108 -1.821 9.729 5.734 881 HA ALA 108 HA ALA 108 -2.745 11.863 4.133 882 1HB ALA 108 HB1 ALA 108 -3.061 13.043 6.128 883 2HB ALA 108 HB2 ALA 108 -3.289 11.355 6.591 884 3HB ALA 108 HB3 ALA 108 -1.768 12.173 6.953 885 H GLU 109 HN GLU 109 0.341 10.811 4.927 886 HA GLU 109 HA GLU 109 1.613 12.955 3.547 887 1HB GLU 109 HB2 GLU 109 3.223 13.326 5.570 888 2HB GLU 109 HB3 GLU 109 1.710 14.216 5.498 889 1HG GLU 109 HG3 GLU 109 0.775 13.041 7.219 890 2HG GLU 109 HG2 GLU 109 1.798 11.626 6.958 891 H GLU 110 HN GLU 110 2.229 11.227 2.248 892 HA GLU 110 HA GLU 110 3.544 8.889 3.170 893 1HB GLU 110 HB2 GLU 110 4.044 8.456 0.804 894 2HB GLU 110 HB3 GLU 110 2.374 8.949 1.022 895 1HG GLU 110 HG2 GLU 110 4.365 11.040 0.370 896 2HG GLU 110 HG3 GLU 110 3.899 9.922 -0.906 897 H GLN 111 HN GLN 111 5.773 8.270 2.289 898 HA GLN 111 HA GLN 111 7.703 9.896 3.548 899 1HB GLN 111 HB2 GLN 111 7.637 7.345 3.106 900 2HB GLN 111 HB3 GLN 111 8.422 7.760 1.588 901 1HG GLN 111 HG3 GLN 111 10.223 8.878 2.869 902 2HG GLN 111 HG2 GLN 111 9.455 8.346 4.363 903 1HE2 GLN 111 HE21 GLN 111 11.875 7.707 2.317 904 2HE2 GLN 111 HE22 GLN 111 12.069 6.010 2.586 905 H GLU 112 HN GLU 112 6.295 11.127 1.171 906 HA GLU 112 HA GLU 112 8.262 11.495 -0.868 907 1HB GLU 112 HB3 GLU 112 6.849 13.272 -1.696 908 2HB GLU 112 HB2 GLU 112 5.815 11.949 -1.168 909 1HG GLU 112 HG2 GLU 112 5.216 13.093 0.819 910 2HG GLU 112 HG3 GLU 112 6.458 14.315 0.553 911 H LYS 113 HN LYS 113 7.718 12.669 2.274 912 HA LYS 113 HA LYS 113 9.218 15.105 2.120 913 1HB LYS 113 HB3 LYS 113 8.282 13.410 4.439 914 2HB LYS 113 HB2 LYS 113 9.146 14.920 4.644 915 1HG LYS 113 HG3 LYS 113 6.849 15.384 4.974 916 2HG LYS 113 HG2 LYS 113 7.278 16.052 3.401 917 1HD LYS 113 HD3 LYS 113 6.308 14.102 2.309 918 2HD LYS 113 HD2 LYS 113 5.904 13.415 3.885 919 1HE LYS 113 HE2 LYS 113 3.974 14.438 2.832 920 2HE LYS 113 HE3 LYS 113 4.402 15.286 4.317 921 1HZ LYS 113 HZ1 LYS 113 5.738 16.519 2.170 922 2HZ LYS 113 HZ2 LYS 113 4.521 17.159 3.163 923 3HZ LYS 113 HZ3 LYS 113 4.106 16.337 1.742 924 H TYR 114 HN TYR 114 10.694 13.105 0.955 925 HA TYR 114 HA TYR 114 12.461 11.689 2.578 926 1HB TYR 114 HB2 TYR 114 12.196 11.230 0.199 927 2HB TYR 114 HB3 TYR 114 12.900 12.792 -0.203 928 HD1 TYR 114 HD1 TYR 114 13.781 9.761 1.791 929 HD2 TYR 114 HD2 TYR 114 15.110 12.822 -0.843 930 HE1 TYR 114 HE1 TYR 114 16.037 8.782 1.815 931 HE2 TYR 114 HE2 TYR 114 17.373 11.832 -0.851 932 HH TYR 114 HH TYR 114 18.586 10.058 -0.296 933 H ALA 115 HN ALA 115 12.605 14.985 1.352 934 HA ALA 115 HA ALA 115 15.156 15.357 2.794 935 1HB ALA 115 HB1 ALA 115 13.982 16.645 0.385 936 2HB ALA 115 HB2 ALA 115 15.030 17.614 1.409 937 3HB ALA 115 HB3 ALA 115 15.636 16.114 0.701 938 H ALA 116 HN ALA 116 12.474 15.300 4.071 939 HA ALA 116 HA ALA 116 12.123 18.089 4.917 940 1HB ALA 116 HB1 ALA 116 9.979 17.566 5.121 941 2HB ALA 116 HB2 ALA 116 10.339 15.937 4.546 942 3HB ALA 116 HB3 ALA 116 10.368 16.269 6.263 943 H GLU 117 HN GLU 117 14.542 16.999 5.698 944 HA GLU 117 HA GLU 117 14.283 15.943 8.363 945 1HB GLU 117 HB2 GLU 117 16.595 16.628 6.578 946 2HB GLU 117 HB3 GLU 117 16.823 16.120 8.242 947 1HG GLU 117 HG3 GLU 117 15.663 14.010 7.749 948 2HG GLU 117 HG2 GLU 117 15.427 14.542 6.082 949 H ARG 118 HN ARG 118 12.980 18.132 8.506 950 HA ARG 118 HA ARG 118 14.316 19.743 10.427 951 1HB ARG 118 HB3 ARG 118 15.141 20.672 8.152 952 2HB ARG 118 HB2 ARG 118 13.480 21.183 7.911 953 1HG ARG 118 HG3 ARG 118 14.610 23.066 8.672 954 2HG ARG 118 HG2 ARG 118 13.680 22.480 10.051 955 1HD ARG 118 HD2 ARG 118 15.941 23.152 10.695 956 2HD ARG 118 HD3 ARG 118 15.674 21.437 10.980 957 HE ARG 118 HE ARG 118 16.837 21.712 8.454 958 1HH1 ARG 118 HH12 ARG 118 18.013 21.976 11.924 959 2HH1 ARG 118 HH11 ARG 118 19.270 22.941 11.207 960 1HH2 ARG 118 HH22 ARG 118 19.175 20.549 8.665 961 2HH2 ARG 118 HH21 ARG 118 19.863 22.141 8.810 962 H ASP 119 HN ASP 119 12.726 21.358 11.251 963 HA ASP 119 HA ASP 119 10.001 20.381 10.798 964 1HB ASP 119 HB3 ASP 119 10.968 20.449 13.133 965 2HB ASP 119 HB2 ASP 119 10.961 22.208 13.014 Start of MODEL 15 1 1H MET 1 HT1 MET 1 15.341 6.818 3.041 2 2H MET 1 HT2 MET 1 16.134 7.610 4.348 3 3H MET 1 HT3 MET 1 14.431 7.731 4.164 4 HA MET 1 HA MET 1 14.091 5.541 4.727 5 1HB MET 1 HB2 MET 1 15.887 4.602 3.369 6 2HB MET 1 HB3 MET 1 17.095 5.256 4.458 7 1HG MET 1 HG2 MET 1 16.157 3.803 6.257 8 2HG MET 1 HG3 MET 1 15.113 3.072 5.037 9 1HE MET 1 HE1 MET 1 16.018 0.870 5.948 10 2HE MET 1 HE2 MET 1 17.604 0.196 5.596 11 3HE MET 1 HE3 MET 1 17.421 1.370 6.893 12 H GLY 2 HN GLY 2 17.110 6.983 5.954 13 1HA GLY 2 HA2 GLY 2 17.390 7.988 8.066 14 2HA GLY 2 HA1 GLY 2 15.843 7.321 8.570 15 H ASP 3 HN ASP 3 17.079 6.756 10.525 16 HA ASP 3 HA ASP 3 18.922 4.511 10.233 17 1HB ASP 3 HB3 ASP 3 19.524 6.264 11.851 18 2HB ASP 3 HB2 ASP 3 18.017 6.005 12.716 19 H THR 4 HN THR 4 18.417 2.457 10.694 20 HA THR 4 HA THR 4 15.777 1.880 11.842 21 HB THR 4 HB THR 4 15.753 -0.107 10.231 22 HG1 THR 4 HG1 THR 4 17.826 -0.144 9.493 23 1HG2 THR 4 HG21 THR 4 14.599 2.239 9.883 24 2HG2 THR 4 HG22 THR 4 14.594 0.998 8.628 25 3HG2 THR 4 HG23 THR 4 15.750 2.329 8.549 26 H GLY 5 HN GLY 5 15.712 0.097 13.207 27 1HA GLY 5 HA2 GLY 5 18.247 -0.685 14.325 28 2HA GLY 5 HA1 GLY 5 16.656 -1.187 14.883 29 H LYS 6 HN LYS 6 15.692 -2.276 12.452 30 HA LYS 6 HA LYS 6 17.587 -4.480 11.983 31 1HB LYS 6 HB3 LYS 6 14.616 -4.756 12.497 32 2HB LYS 6 HB2 LYS 6 15.711 -6.075 12.092 33 1HG LYS 6 HG3 LYS 6 16.910 -5.761 14.160 34 2HG LYS 6 HG2 LYS 6 15.905 -4.362 14.557 35 1HD LYS 6 HD3 LYS 6 13.952 -5.737 14.731 36 2HD LYS 6 HD2 LYS 6 14.819 -7.140 14.105 37 1HE LYS 6 HE2 LYS 6 16.248 -7.144 16.095 38 2HE LYS 6 HE3 LYS 6 15.393 -5.728 16.718 39 1HZ LYS 6 HZ1 LYS 6 13.677 -7.946 16.027 40 2HZ LYS 6 HZ2 LYS 6 13.690 -6.967 17.412 41 3HZ LYS 6 HZ3 LYS 6 14.761 -8.282 17.291 42 H LEU 7 HN LEU 7 14.267 -4.017 10.872 43 HA LEU 7 HA LEU 7 15.213 -4.134 8.109 44 1HB LEU 7 HB2 LEU 7 12.565 -4.649 9.425 45 2HB LEU 7 HB3 LEU 7 12.640 -4.322 7.709 46 HG LEU 7 HG LEU 7 12.512 -6.678 8.047 47 1HD1 LEU 7 HD21 LEU 7 15.130 -7.099 7.308 48 2HD1 LEU 7 HD22 LEU 7 13.794 -6.703 6.228 49 3HD1 LEU 7 HD23 LEU 7 14.839 -5.423 6.845 50 1HD2 LEU 7 HD11 LEU 7 13.250 -7.281 10.114 51 2HD2 LEU 7 HD12 LEU 7 14.680 -7.699 9.169 52 3HD2 LEU 7 HD13 LEU 7 14.628 -6.184 10.063 53 H GLY 8 HN GLY 8 14.544 -2.638 6.544 54 1HA GLY 8 HA1 GLY 8 14.064 0.039 7.614 55 2HA GLY 8 HA2 GLY 8 14.553 -0.365 5.970 56 H ARG 9 HN ARG 9 11.873 -1.589 7.926 57 HA ARG 9 HA ARG 9 10.092 -1.359 5.722 58 1HB ARG 9 HB3 ARG 9 9.558 -2.080 8.608 59 2HB ARG 9 HB2 ARG 9 8.406 -2.244 7.289 60 1HG ARG 9 HG2 ARG 9 10.045 -3.722 6.132 61 2HG ARG 9 HG3 ARG 9 11.040 -3.671 7.570 62 1HD ARG 9 HD3 ARG 9 9.620 -4.993 8.774 63 2HD ARG 9 HD2 ARG 9 8.199 -4.474 7.867 64 HE ARG 9 HE ARG 9 9.756 -5.860 6.062 65 1HH1 ARG 9 HH11 ARG 9 8.038 -6.978 9.155 66 2HH1 ARG 9 HH12 ARG 9 9.505 -7.914 9.080 67 1HH2 ARG 9 HH22 ARG 9 9.887 -8.501 6.215 68 2HH2 ARG 9 HH21 ARG 9 8.169 -8.452 5.939 69 H ILE 10 HN ILE 10 10.368 0.841 5.309 70 HA ILE 10 HA ILE 10 9.498 2.915 7.036 71 HB ILE 10 HB ILE 10 10.976 3.345 5.153 72 1HG1 ILE 10 HG13 ILE 10 9.864 5.356 4.225 73 2HG1 ILE 10 HG12 ILE 10 8.344 4.807 4.926 74 1HG2 ILE 10 HG21 ILE 10 9.890 3.523 2.839 75 2HG2 ILE 10 HG22 ILE 10 10.363 1.934 3.419 76 3HG2 ILE 10 HG23 ILE 10 8.673 2.424 3.479 77 1HD1 ILE 10 HD11 ILE 10 10.732 5.964 6.239 78 2HD1 ILE 10 HD12 ILE 10 9.021 6.248 6.543 79 3HD1 ILE 10 HD13 ILE 10 9.785 4.774 7.130 80 H ILE 11 HN ILE 11 7.523 4.102 6.967 81 HA ILE 11 HA ILE 11 5.291 4.337 6.978 82 HB ILE 11 HB ILE 11 5.207 2.544 4.524 83 1HG1 ILE 11 HG13 ILE 11 5.419 5.563 4.700 84 2HG1 ILE 11 HG12 ILE 11 6.663 4.465 4.103 85 1HG2 ILE 11 HG21 ILE 11 3.008 2.875 4.484 86 2HG2 ILE 11 HG22 ILE 11 3.146 3.602 6.084 87 3HG2 ILE 11 HG23 ILE 11 3.218 4.623 4.645 88 1HD1 ILE 11 HD11 ILE 11 4.086 5.258 2.844 89 2HD1 ILE 11 HD12 ILE 11 5.718 5.259 2.175 90 3HD1 ILE 11 HD13 ILE 11 4.863 3.732 2.415 91 H ARG 12 HN ARG 12 4.164 1.481 5.634 92 HA ARG 12 HA ARG 12 4.577 -0.296 7.831 93 1HB ARG 12 HB2 ARG 12 2.739 1.556 8.461 94 2HB ARG 12 HB3 ARG 12 1.701 0.407 7.624 95 1HG ARG 12 HG3 ARG 12 1.626 -0.053 9.956 96 2HG ARG 12 HG2 ARG 12 2.486 -1.355 9.165 97 1HD ARG 12 HD3 ARG 12 4.627 -0.334 9.806 98 2HD ARG 12 HD2 ARG 12 3.748 0.951 10.637 99 HE ARG 12 HE ARG 12 2.926 -1.561 11.638 100 1HH1 ARG 12 HH12 ARG 12 5.145 1.082 12.639 101 2HH1 ARG 12 HH11 ARG 12 6.365 -0.047 12.156 102 1HH2 ARG 12 HH22 ARG 12 3.546 -1.701 14.069 103 2HH2 ARG 12 HH21 ARG 12 5.171 -2.274 13.839 104 H HIS 13 HN HIS 13 2.933 -2.152 7.689 105 HA HIS 13 HA HIS 13 2.273 -2.739 4.898 106 1HB HIS 13 HB2 HIS 13 2.932 -5.094 5.301 107 2HB HIS 13 HB3 HIS 13 4.296 -4.010 5.481 108 HD1 HIS 13 HD1 HIS 13 4.961 -3.466 8.091 109 HD2 HIS 13 HD2 HIS 13 2.521 -6.771 7.384 110 HE1 HIS 13 HE1 HIS 13 5.064 -4.868 10.184 111 HE2 HIS 13 HE2 HIS 13 3.694 -6.916 9.682 112 H ASP 14 HN ASP 14 0.145 -3.212 4.687 113 HA ASP 14 HA ASP 14 -1.277 -4.062 7.126 114 1HB ASP 14 HB3 ASP 14 -1.610 -1.643 6.170 115 2HB ASP 14 HB2 ASP 14 -2.649 -2.451 5.003 116 H ALA 15 HN ALA 15 -3.751 -4.591 6.065 117 HA ALA 15 HA ALA 15 -3.462 -6.379 3.792 118 1HB ALA 15 HB1 ALA 15 -3.528 -8.342 4.864 119 2HB ALA 15 HB2 ALA 15 -3.065 -7.429 6.308 120 3HB ALA 15 HB3 ALA 15 -4.766 -7.771 5.990 121 H PHE 16 HN PHE 16 -5.268 -6.332 2.610 122 HA PHE 16 HA PHE 16 -7.855 -5.731 3.875 123 1HB PHE 16 HB2 PHE 16 -6.715 -4.259 1.476 124 2HB PHE 16 HB3 PHE 16 -8.371 -4.123 2.054 125 HD1 PHE 16 HD1 PHE 16 -8.575 -3.496 4.604 126 HD2 PHE 16 HD2 PHE 16 -5.203 -2.670 2.143 127 HE1 PHE 16 HE1 PHE 16 -7.909 -1.693 6.138 128 HE2 PHE 16 HE2 PHE 16 -4.542 -0.853 3.668 129 HZ PHE 16 HZ PHE 16 -5.892 -0.361 5.669 130 H GLN 17 HN GLN 17 -9.648 -6.302 2.535 131 HA GLN 17 HA GLN 17 -9.094 -7.979 0.207 132 1HB GLN 17 HB3 GLN 17 -9.335 -9.498 2.194 133 2HB GLN 17 HB2 GLN 17 -10.956 -8.844 2.434 134 1HG GLN 17 HG2 GLN 17 -11.682 -9.702 0.326 135 2HG GLN 17 HG3 GLN 17 -10.048 -10.211 -0.082 136 1HE2 GLN 17 HE21 GLN 17 -9.719 -12.266 0.115 137 2HE2 GLN 17 HE22 GLN 17 -10.394 -13.317 1.326 138 H VAL 18 HN VAL 18 -9.750 -5.929 -0.647 139 HA VAL 18 HA VAL 18 -12.666 -5.695 -0.828 140 HB VAL 18 HB VAL 18 -12.180 -3.134 -0.871 141 1HG1 VAL 18 HG21 VAL 18 -13.311 -3.196 1.046 142 2HG1 VAL 18 HG22 VAL 18 -13.063 -4.942 1.067 143 3HG1 VAL 18 HG23 VAL 18 -11.931 -3.881 1.902 144 1HG2 VAL 18 HG11 VAL 18 -10.203 -2.397 -0.114 145 2HG2 VAL 18 HG12 VAL 18 -10.136 -3.608 1.160 146 3HG2 VAL 18 HG13 VAL 18 -9.622 -4.026 -0.476 147 H TRP 19 HN TRP 19 -13.353 -4.318 -2.497 148 HA TRP 19 HA TRP 19 -12.676 -5.093 -4.995 149 1HB TRP 19 HB2 TRP 19 -13.837 -2.383 -4.419 150 2HB TRP 19 HB3 TRP 19 -14.231 -3.495 -5.731 151 HD1 TRP 19 HD1 TRP 19 -15.902 -5.495 -5.184 152 HE1 TRP 19 HE1 TRP 19 -17.520 -5.941 -3.243 153 HE3 TRP 19 HE3 TRP 19 -14.053 -2.129 -1.796 154 HZ2 TRP 19 HZ2 TRP 19 -17.937 -5.021 -0.619 155 HZ3 TRP 19 HZ3 TRP 19 -15.119 -1.995 0.411 156 HH2 TRP 19 HH2 TRP 19 -17.017 -3.417 0.986 157 H GLU 20 HN GLU 20 -10.780 -4.989 -5.862 158 HA GLU 20 HA GLU 20 -9.298 -2.455 -5.918 159 1HB GLU 20 HB2 GLU 20 -8.380 -5.299 -6.287 160 2HB GLU 20 HB3 GLU 20 -7.371 -3.912 -6.680 161 1HG GLU 20 HG2 GLU 20 -6.729 -3.774 -4.570 162 2HG GLU 20 HG3 GLU 20 -8.403 -3.533 -4.067 163 H GLY 21 HN GLY 21 -9.169 -1.370 -7.760 164 1HA GLY 21 HA2 GLY 21 -9.523 -0.791 -9.945 165 2HA GLY 21 HA1 GLY 21 -8.886 -2.389 -10.315 166 H ASP 22 HN ASP 22 -10.167 -3.202 -11.785 167 HA ASP 22 HA ASP 22 -13.069 -3.141 -11.290 168 1HB ASP 22 HB2 ASP 22 -12.199 -2.020 -13.424 169 2HB ASP 22 HB3 ASP 22 -11.763 -3.637 -13.973 170 H GLU 23 HN GLU 23 -11.119 -4.820 -10.104 171 HA GLU 23 HA GLU 23 -11.739 -7.445 -11.283 172 1HB GLU 23 HB2 GLU 23 -9.564 -6.747 -9.292 173 2HB GLU 23 HB3 GLU 23 -9.795 -8.294 -10.101 174 1HG GLU 23 HG3 GLU 23 -9.289 -5.793 -11.657 175 2HG GLU 23 HG2 GLU 23 -7.966 -6.712 -10.951 176 HA PRO 24 HA PRO 24 -14.270 -8.538 -7.803 177 1HB PRO 24 HB3 PRO 24 -12.832 -11.077 -7.448 178 2HB PRO 24 HB2 PRO 24 -14.515 -10.802 -7.898 179 1HG PRO 24 HG3 PRO 24 -12.685 -11.727 -9.655 180 2HG PRO 24 HG2 PRO 24 -14.043 -10.692 -10.146 181 1HD PRO 24 HD2 PRO 24 -11.169 -9.990 -9.751 182 2HD PRO 24 HD3 PRO 24 -12.325 -9.388 -10.956 183 HA PRO 25 HA PRO 25 -12.029 -7.255 -4.235 184 1HB PRO 25 HB3 PRO 25 -13.577 -8.695 -2.377 185 2HB PRO 25 HB2 PRO 25 -13.805 -7.031 -2.893 186 1HG PRO 25 HG2 PRO 25 -15.194 -9.499 -3.780 187 2HG PRO 25 HG3 PRO 25 -15.807 -7.842 -3.673 188 1HD PRO 25 HD2 PRO 25 -15.182 -9.000 -6.020 189 2HD PRO 25 HD3 PRO 25 -14.952 -7.263 -5.736 190 H LYS 26 HN LYS 26 -10.124 -8.024 -3.973 191 HA LYS 26 HA LYS 26 -9.740 -10.848 -3.299 192 1HB LYS 26 HB2 LYS 26 -8.039 -9.000 -4.886 193 2HB LYS 26 HB3 LYS 26 -7.461 -10.530 -4.283 194 1HG LYS 26 HG3 LYS 26 -9.157 -11.694 -5.542 195 2HG LYS 26 HG2 LYS 26 -9.827 -10.158 -6.086 196 1HD LYS 26 HD2 LYS 26 -7.626 -9.664 -7.149 197 2HD LYS 26 HD3 LYS 26 -7.111 -11.290 -6.716 198 1HE LYS 26 HE3 LYS 26 -9.516 -10.671 -8.425 199 2HE LYS 26 HE2 LYS 26 -7.928 -11.099 -9.054 200 1HZ LYS 26 HZ1 LYS 26 -9.421 -13.022 -8.958 201 2HZ LYS 26 HZ2 LYS 26 -9.577 -12.836 -7.283 202 3HZ LYS 26 HZ3 LYS 26 -8.078 -13.240 -7.955 203 H LEU 27 HN LEU 27 -8.106 -11.430 -1.839 204 HA LEU 27 HA LEU 27 -7.779 -9.524 0.281 205 1HB LEU 27 HB3 LEU 27 -7.925 -12.238 0.182 206 2HB LEU 27 HB2 LEU 27 -6.196 -12.006 0.333 207 HG LEU 27 HG LEU 27 -8.272 -10.937 2.246 208 1HD1 LEU 27 HD11 LEU 27 -7.762 -12.661 3.695 209 2HD1 LEU 27 HD12 LEU 27 -7.753 -13.472 2.126 210 3HD1 LEU 27 HD13 LEU 27 -6.226 -13.023 2.891 211 1HD2 LEU 27 HD21 LEU 27 -5.267 -10.905 2.481 212 2HD2 LEU 27 HD22 LEU 27 -6.246 -9.514 2.033 213 3HD2 LEU 27 HD23 LEU 27 -6.430 -10.241 3.632 214 H ARG 28 HN ARG 28 -6.505 -7.891 -0.862 215 HA ARG 28 HA ARG 28 -3.825 -8.720 -1.649 216 1HB ARG 28 HB2 ARG 28 -5.413 -6.217 -1.981 217 2HB ARG 28 HB3 ARG 28 -3.663 -6.139 -2.081 218 1HG ARG 28 HG2 ARG 28 -3.740 -7.864 -3.875 219 2HG ARG 28 HG3 ARG 28 -5.501 -7.766 -3.831 220 1HD ARG 28 HD2 ARG 28 -5.462 -5.478 -4.524 221 2HD ARG 28 HD3 ARG 28 -3.714 -5.391 -4.327 222 HE ARG 28 HE ARG 28 -3.488 -6.213 -6.432 223 1HH1 ARG 28 HH11 ARG 28 -6.899 -7.061 -5.528 224 2HH1 ARG 28 HH12 ARG 28 -6.579 -8.516 -6.424 225 1HH2 ARG 28 HH22 ARG 28 -4.273 -7.985 -8.222 226 2HH2 ARG 28 HH21 ARG 28 -5.249 -6.647 -8.764 227 H TYR 29 HN TYR 29 -2.239 -8.771 -0.227 228 HA TYR 29 HA TYR 29 -2.429 -7.329 2.272 229 1HB TYR 29 HB2 TYR 29 -0.360 -9.178 1.078 230 2HB TYR 29 HB3 TYR 29 -0.018 -8.258 2.531 231 HD1 TYR 29 HD1 TYR 29 -2.743 -10.469 1.213 232 HD2 TYR 29 HD2 TYR 29 -0.310 -9.355 4.522 233 HE1 TYR 29 HE1 TYR 29 -3.782 -12.242 2.568 234 HE2 TYR 29 HE2 TYR 29 -1.368 -11.093 5.898 235 HH TYR 29 HH TYR 29 -3.231 -13.595 4.610 236 H VAL 30 HN VAL 30 -2.375 -5.167 1.802 237 HA VAL 30 HA VAL 30 -0.447 -4.189 -0.078 238 HB VAL 30 HB VAL 30 -2.577 -3.175 -0.259 239 1HG1 VAL 30 HG11 VAL 30 -2.332 -2.513 2.650 240 2HG1 VAL 30 HG12 VAL 30 -3.513 -1.767 1.554 241 3HG1 VAL 30 HG13 VAL 30 -3.552 -3.514 1.840 242 1HG2 VAL 30 HG21 VAL 30 -0.485 -1.783 -0.508 243 2HG2 VAL 30 HG22 VAL 30 -1.979 -0.884 -0.241 244 3HG2 VAL 30 HG23 VAL 30 -0.834 -1.118 1.089 245 H PHE 31 HN PHE 31 1.523 -3.880 0.395 246 HA PHE 31 HA PHE 31 2.312 -2.764 3.013 247 1HB PHE 31 HB3 PHE 31 4.280 -3.926 1.058 248 2HB PHE 31 HB2 PHE 31 4.396 -3.834 2.808 249 HD1 PHE 31 HD1 PHE 31 2.278 -5.235 3.931 250 HD2 PHE 31 HD2 PHE 31 4.266 -6.006 0.251 251 HE1 PHE 31 HE1 PHE 31 1.672 -7.613 4.104 252 HE2 PHE 31 HE2 PHE 31 3.652 -8.379 0.411 253 HZ PHE 31 HZ PHE 31 2.348 -9.184 2.332 254 H LEU 32 HN LEU 32 3.160 -0.657 2.931 255 HA LEU 32 HA LEU 32 3.782 0.318 0.223 256 1HB LEU 32 HB2 LEU 32 2.819 2.024 2.510 257 2HB LEU 32 HB3 LEU 32 3.162 2.542 0.864 258 HG LEU 32 HG LEU 32 0.845 0.926 1.842 259 1HD1 LEU 32 HD11 LEU 32 0.459 3.065 -0.083 260 2HD1 LEU 32 HD12 LEU 32 -0.300 2.813 1.505 261 3HD1 LEU 32 HD13 LEU 32 1.272 3.622 1.394 262 1HD2 LEU 32 HD21 LEU 32 1.578 -0.261 -0.066 263 2HD2 LEU 32 HD22 LEU 32 0.253 0.781 -0.593 264 3HD2 LEU 32 HD23 LEU 32 1.923 1.228 -0.939 265 H PHE 33 HN PHE 33 5.576 1.522 -0.089 266 HA PHE 33 HA PHE 33 7.345 2.026 2.194 267 1HB PHE 33 HB2 PHE 33 8.089 0.718 -0.440 268 2HB PHE 33 HB3 PHE 33 9.283 1.437 0.627 269 HD1 PHE 33 HD1 PHE 33 6.563 -1.118 0.620 270 HD2 PHE 33 HD2 PHE 33 10.306 0.109 2.249 271 HE1 PHE 33 HE1 PHE 33 6.712 -3.223 1.879 272 HE2 PHE 33 HE2 PHE 33 10.455 -2.009 3.483 273 HZ PHE 33 HZ PHE 33 8.656 -3.665 3.304 274 H ARG 34 HN ARG 34 8.652 3.883 1.882 275 HA ARG 34 HA ARG 34 7.395 5.944 0.418 276 1HB ARG 34 HB3 ARG 34 8.725 6.198 2.530 277 2HB ARG 34 HB2 ARG 34 10.181 5.953 1.573 278 1HG ARG 34 HG3 ARG 34 10.215 8.082 0.962 279 2HG ARG 34 HG2 ARG 34 8.548 7.992 0.383 280 1HD ARG 34 HD3 ARG 34 9.374 8.432 3.252 281 2HD ARG 34 HD2 ARG 34 8.833 9.687 2.136 282 HE ARG 34 HE ARG 34 6.780 7.981 2.037 283 1HH1 ARG 34 HH11 ARG 34 8.455 8.814 5.129 284 2HH1 ARG 34 HH12 ARG 34 7.173 9.947 5.416 285 1HH2 ARG 34 HH21 ARG 34 4.856 8.831 3.610 286 2HH2 ARG 34 HH22 ARG 34 5.276 7.911 5.021 287 H ASN 35 HN ASN 35 7.313 5.148 -1.665 288 HA ASN 35 HA ASN 35 9.151 6.135 -3.484 289 1HB ASN 35 HB2 ASN 35 10.576 4.240 -2.595 290 2HB ASN 35 HB3 ASN 35 9.370 3.125 -3.240 291 1HD2 ASN 35 HD21 ASN 35 12.130 4.889 -3.875 292 2HD2 ASN 35 HD22 ASN 35 12.072 4.959 -5.594 293 H LYS 36 HN LYS 36 6.755 3.672 -2.675 294 HA LYS 36 HA LYS 36 4.860 4.497 -4.506 295 1HB LYS 36 HB3 LYS 36 4.979 2.890 -6.293 296 2HB LYS 36 HB2 LYS 36 6.555 3.654 -6.175 297 1HG LYS 36 HG3 LYS 36 7.447 1.719 -5.008 298 2HG LYS 36 HG2 LYS 36 5.857 0.951 -5.036 299 1HD LYS 36 HD3 LYS 36 7.344 0.093 -6.796 300 2HD LYS 36 HD2 LYS 36 5.900 0.875 -7.456 301 1HE LYS 36 HE3 LYS 36 7.245 2.941 -7.765 302 2HE LYS 36 HE2 LYS 36 8.672 2.038 -7.263 303 1HZ LYS 36 HZ1 LYS 36 8.362 0.542 -9.131 304 2HZ LYS 36 HZ2 LYS 36 8.427 2.146 -9.695 305 3HZ LYS 36 HZ3 LYS 36 6.938 1.350 -9.581 306 H ILE 37 HN ILE 37 3.548 2.155 -5.093 307 HA ILE 37 HA ILE 37 3.041 1.027 -2.403 308 HB ILE 37 HB ILE 37 1.286 1.178 -4.857 309 1HG1 ILE 37 HG13 ILE 37 1.159 2.453 -2.127 310 2HG1 ILE 37 HG12 ILE 37 1.329 3.260 -3.680 311 1HG2 ILE 37 HG21 ILE 37 1.152 -0.988 -3.451 312 2HG2 ILE 37 HG22 ILE 37 0.358 0.035 -2.249 313 3HG2 ILE 37 HG23 ILE 37 -0.338 -0.148 -3.861 314 1HD1 ILE 37 HD11 ILE 37 -1.087 2.166 -2.360 315 2HD1 ILE 37 HD12 ILE 37 -0.869 3.662 -3.267 316 3HD1 ILE 37 HD13 ILE 37 -1.024 2.123 -4.115 317 H MET 38 HN MET 38 3.722 -1.016 -2.078 318 HA MET 38 HA MET 38 4.099 -2.763 -4.426 319 1HB MET 38 HB2 MET 38 5.898 -2.480 -2.011 320 2HB MET 38 HB3 MET 38 6.086 -3.693 -3.271 321 1HG MET 38 HG3 MET 38 6.673 -2.082 -4.882 322 2HG MET 38 HG2 MET 38 6.059 -0.755 -3.899 323 1HE MET 38 HE1 MET 38 9.053 -3.280 -4.463 324 2HE MET 38 HE2 MET 38 9.893 -3.124 -2.920 325 3HE MET 38 HE3 MET 38 8.269 -3.821 -2.977 326 H PHE 39 HN PHE 39 1.858 -3.366 -3.680 327 HA PHE 39 HA PHE 39 1.891 -5.086 -1.327 328 1HB PHE 39 HB2 PHE 39 -0.559 -5.104 -1.517 329 2HB PHE 39 HB3 PHE 39 0.101 -3.488 -1.391 330 HD1 PHE 39 HD1 PHE 39 -2.456 -3.260 -2.070 331 HD2 PHE 39 HD2 PHE 39 0.690 -4.486 -4.700 332 HE1 PHE 39 HE1 PHE 39 -3.803 -2.568 -4.030 333 HE2 PHE 39 HE2 PHE 39 -0.657 -3.810 -6.638 334 HZ PHE 39 HZ PHE 39 -2.903 -2.855 -6.308 335 H THR 40 HN THR 40 0.725 -7.158 -1.374 336 HA THR 40 HA THR 40 1.166 -8.568 -3.932 337 HB THR 40 HB THR 40 1.468 -10.614 -2.430 338 HG1 THR 40 HG1 THR 40 2.032 -8.666 -0.458 339 1HG2 THR 40 HG21 THR 40 3.534 -8.455 -2.144 340 2HG2 THR 40 HG22 THR 40 3.370 -9.540 -3.525 341 3HG2 THR 40 HG23 THR 40 3.777 -10.188 -1.922 342 H GLU 41 HN GLU 41 -0.586 -9.438 -4.831 343 HA GLU 41 HA GLU 41 -3.079 -9.382 -3.392 344 1HB GLU 41 HB3 GLU 41 -4.039 -10.166 -5.584 345 2HB GLU 41 HB2 GLU 41 -3.188 -8.630 -5.636 346 1HG GLU 41 HG3 GLU 41 -1.252 -9.693 -6.614 347 2HG GLU 41 HG2 GLU 41 -2.047 -11.267 -6.523 348 H GLN 42 HN GLN 42 -1.960 -11.015 -1.888 349 HA GLN 42 HA GLN 42 -1.964 -13.783 -2.705 350 1HB GLN 42 HB2 GLN 42 -1.896 -12.562 0.062 351 2HB GLN 42 HB3 GLN 42 -1.529 -14.232 -0.331 352 1HG GLN 42 HG3 GLN 42 0.408 -13.503 -1.632 353 2HG GLN 42 HG2 GLN 42 0.031 -11.826 -1.244 354 1HE2 GLN 42 HE21 GLN 42 1.312 -11.051 0.243 355 2HE2 GLN 42 HE22 GLN 42 1.734 -11.848 1.724 356 H ASP 43 HN ASP 43 -4.131 -13.952 -3.532 357 HA ASP 43 HA ASP 43 -6.265 -13.589 -1.600 358 1HB ASP 43 HB3 ASP 43 -6.495 -12.765 -3.962 359 2HB ASP 43 HB2 ASP 43 -6.538 -14.445 -4.479 360 H ALA 44 HN ALA 44 -7.947 -15.117 -1.409 361 HA ALA 44 HA ALA 44 -7.364 -17.895 -1.945 362 1HB ALA 44 HB1 ALA 44 -7.741 -18.532 0.442 363 2HB ALA 44 HB2 ALA 44 -6.225 -17.682 0.151 364 3HB ALA 44 HB3 ALA 44 -7.594 -16.828 0.868 365 H SER 45 HN SER 45 -9.386 -15.343 -1.863 366 HA SER 45 HA SER 45 -11.795 -16.819 -1.152 367 1HB SER 45 HB2 SER 45 -11.408 -14.473 -0.357 368 2HB SER 45 HB3 SER 45 -11.549 -13.939 -2.034 369 HG SER 45 HG SER 45 -13.501 -14.968 -0.299 370 H THR 46 HN THR 46 -10.549 -14.957 -3.964 371 HA THR 46 HA THR 46 -12.517 -16.412 -5.603 372 HB THR 46 HB THR 46 -12.268 -14.612 -7.237 373 HG1 THR 46 HG1 THR 46 -10.187 -13.845 -5.525 374 1HG2 THR 46 HG21 THR 46 -13.845 -14.382 -5.261 375 2HG2 THR 46 HG22 THR 46 -13.414 -12.911 -6.132 376 3HG2 THR 46 HG23 THR 46 -12.647 -13.277 -4.584 377 H SER 47 HN SER 47 -9.154 -15.850 -5.121 378 HA SER 47 HA SER 47 -8.530 -17.707 -7.324 379 1HB SER 47 HB2 SER 47 -6.808 -15.377 -6.432 380 2HB SER 47 HB3 SER 47 -6.460 -16.498 -7.744 381 HG SER 47 HG SER 47 -8.364 -15.728 -8.789 382 HA PRO 48 HA PRO 48 -7.585 -19.784 -3.289 383 1HB PRO 48 HB2 PRO 48 -7.104 -21.830 -5.412 384 2HB PRO 48 HB3 PRO 48 -7.851 -22.013 -3.832 385 1HG PRO 48 HG2 PRO 48 -9.355 -21.828 -6.015 386 2HG PRO 48 HG3 PRO 48 -9.843 -21.027 -4.508 387 1HD PRO 48 HD3 PRO 48 -8.763 -19.852 -7.007 388 2HD PRO 48 HD2 PRO 48 -9.860 -19.148 -5.828 389 HA PRO 49 HA PRO 49 -3.126 -20.899 -4.570 390 1HB PRO 49 HB2 PRO 49 -2.145 -20.401 -7.017 391 2HB PRO 49 HB3 PRO 49 -3.091 -21.851 -6.657 392 1HG PRO 49 HG3 PRO 49 -3.961 -19.301 -7.952 393 2HG PRO 49 HG2 PRO 49 -4.325 -20.969 -8.419 394 1HD PRO 49 HD3 PRO 49 -6.049 -19.386 -7.000 395 2HD PRO 49 HD2 PRO 49 -6.023 -21.156 -6.868 396 H SER 50 HN SER 50 -4.515 -17.939 -4.706 397 HA SER 50 HA SER 50 -3.852 -15.794 -4.442 398 1HB SER 50 HB3 SER 50 -1.919 -15.435 -2.966 399 2HB SER 50 HB2 SER 50 -2.944 -16.749 -2.383 400 HG SER 50 HG SER 50 -1.261 -17.997 -3.817 401 H TYR 51 HN TYR 51 -1.252 -14.598 -4.450 402 HA TYR 51 HA TYR 51 -0.153 -15.209 -7.069 403 1HB TYR 51 HB2 TYR 51 -1.962 -13.454 -7.371 404 2HB TYR 51 HB3 TYR 51 -0.957 -12.369 -6.421 405 HD1 TYR 51 HD1 TYR 51 -0.578 -14.660 -9.374 406 HD2 TYR 51 HD2 TYR 51 0.377 -10.906 -7.605 407 HE1 TYR 51 HE1 TYR 51 0.653 -14.018 -11.410 408 HE2 TYR 51 HE2 TYR 51 1.599 -10.254 -9.636 409 HH TYR 51 HH TYR 51 1.239 -11.436 -12.455 410 H THR 52 HN THR 52 1.814 -13.698 -7.449 411 HA THR 52 HA THR 52 3.350 -13.751 -4.973 412 HB THR 52 HB THR 52 4.159 -15.099 -6.842 413 HG1 THR 52 HG1 THR 52 6.208 -14.556 -6.607 414 1HG2 THR 52 HG21 THR 52 5.069 -14.107 -8.843 415 2HG2 THR 52 HG22 THR 52 4.517 -12.517 -8.327 416 3HG2 THR 52 HG23 THR 52 3.343 -13.781 -8.706 417 H HIS 53 HN HIS 53 5.418 -12.073 -5.550 418 HA HIS 53 HA HIS 53 4.177 -9.511 -5.064 419 1HB HIS 53 HB2 HIS 53 6.043 -10.242 -3.684 420 2HB HIS 53 HB3 HIS 53 7.077 -10.365 -5.097 421 HD1 HIS 53 HD1 HIS 53 4.969 -7.467 -3.738 422 HD2 HIS 53 HD2 HIS 53 8.851 -8.357 -4.915 423 HE1 HIS 53 HE1 HIS 53 6.257 -5.313 -3.504 424 HE2 HIS 53 HE2 HIS 53 8.641 -5.935 -4.042 425 H TYR 54 HN TYR 54 3.281 -9.460 -7.348 426 HA TYR 54 HA TYR 54 5.224 -8.068 -9.070 427 1HB TYR 54 HB3 TYR 54 3.367 -10.293 -9.850 428 2HB TYR 54 HB2 TYR 54 3.750 -9.051 -11.029 429 HD1 TYR 54 HD1 TYR 54 5.614 -11.186 -8.586 430 HD2 TYR 54 HD2 TYR 54 5.433 -9.580 -12.515 431 HE1 TYR 54 HE1 TYR 54 7.688 -12.350 -9.147 432 HE2 TYR 54 HE2 TYR 54 7.510 -10.770 -13.098 433 HH TYR 54 HH TYR 54 9.199 -12.773 -10.653 434 H SER 55 HN SER 55 2.884 -7.463 -7.173 435 HA SER 55 HA SER 55 1.267 -5.860 -9.003 436 1HB SER 55 HB2 SER 55 0.564 -7.500 -6.871 437 2HB SER 55 HB3 SER 55 0.434 -5.873 -6.204 438 HG SER 55 HG SER 55 -0.773 -6.774 -8.615 439 H SER 56 HN SER 56 1.504 -3.662 -9.051 440 HA SER 56 HA SER 56 2.673 -2.279 -6.769 441 1HB SER 56 HB2 SER 56 3.970 -2.113 -9.502 442 2HB SER 56 HB3 SER 56 4.489 -1.271 -8.042 443 HG SER 56 HG SER 56 4.316 -3.916 -7.568 444 H ILE 57 HN ILE 57 2.419 -0.061 -6.770 445 HA ILE 57 HA ILE 57 0.778 1.145 -8.876 446 HB ILE 57 HB ILE 57 0.068 0.921 -5.971 447 1HG1 ILE 57 HG13 ILE 57 -0.880 -0.460 -7.960 448 2HG1 ILE 57 HG12 ILE 57 -1.985 0.156 -6.734 449 1HG2 ILE 57 HG21 ILE 57 -1.646 2.843 -7.103 450 2HG2 ILE 57 HG22 ILE 57 -0.512 3.044 -5.767 451 3HG2 ILE 57 HG23 ILE 57 0.002 3.375 -7.427 452 1HD1 ILE 57 HD11 ILE 57 -3.035 1.505 -8.184 453 2HD1 ILE 57 HD12 ILE 57 -1.537 1.950 -9.012 454 3HD1 ILE 57 HD13 ILE 57 -2.342 0.426 -9.397 455 H ARG 58 HN ARG 58 1.630 3.020 -9.467 456 HA ARG 58 HA ARG 58 3.811 4.164 -7.963 457 1HB ARG 58 HB2 ARG 58 4.045 5.725 -9.791 458 2HB ARG 58 HB3 ARG 58 3.804 4.113 -10.450 459 1HG ARG 58 HG3 ARG 58 1.576 4.603 -11.081 460 2HG ARG 58 HG2 ARG 58 1.565 6.081 -10.120 461 1HD ARG 58 HD2 ARG 58 1.828 6.852 -12.295 462 2HD ARG 58 HD3 ARG 58 3.457 6.871 -11.628 463 HE ARG 58 HE ARG 58 2.475 5.194 -13.770 464 1HH1 ARG 58 HH12 ARG 58 5.561 5.317 -11.548 465 2HH1 ARG 58 HH11 ARG 58 5.949 6.128 -13.025 466 1HH2 ARG 58 HH21 ARG 58 4.444 4.407 -15.073 467 2HH2 ARG 58 HH22 ARG 58 4.787 3.110 -13.969 468 H LEU 59 HN LEU 59 3.761 5.904 -6.645 469 HA LEU 59 HA LEU 59 1.128 7.114 -6.124 470 1HB LEU 59 HB2 LEU 59 3.646 6.932 -4.487 471 2HB LEU 59 HB3 LEU 59 2.296 7.961 -4.039 472 HG LEU 59 HG LEU 59 2.126 4.961 -4.374 473 1HD1 LEU 59 HD21 LEU 59 1.699 5.587 -1.719 474 2HD1 LEU 59 HD22 LEU 59 3.140 4.842 -2.412 475 3HD1 LEU 59 HD23 LEU 59 3.076 6.589 -2.180 476 1HD2 LEU 59 HD11 LEU 59 0.118 6.311 -2.757 477 2HD2 LEU 59 HD12 LEU 59 0.104 6.819 -4.447 478 3HD2 LEU 59 HD13 LEU 59 -0.073 5.114 -4.041 479 H ASP 60 HN ASP 60 4.025 7.718 -7.672 480 HA ASP 60 HA ASP 60 4.631 10.367 -7.161 481 1HB ASP 60 HB3 ASP 60 6.101 9.132 -8.558 482 2HB ASP 60 HB2 ASP 60 4.814 8.762 -9.707 483 H LYS 61 HN LYS 61 2.198 9.071 -9.350 484 HA LYS 61 HA LYS 61 1.105 11.781 -9.655 485 1HB LYS 61 HB3 LYS 61 1.091 9.461 -11.599 486 2HB LYS 61 HB2 LYS 61 0.198 10.952 -11.846 487 1HG LYS 61 HG2 LYS 61 2.278 12.208 -11.906 488 2HG LYS 61 HG3 LYS 61 3.188 10.738 -11.568 489 1HD LYS 61 HD2 LYS 61 2.441 9.757 -13.659 490 2HD LYS 61 HD3 LYS 61 1.470 11.191 -13.999 491 1HE LYS 61 HE3 LYS 61 3.451 12.560 -14.118 492 2HE LYS 61 HE2 LYS 61 4.457 11.185 -13.642 493 1HZ LYS 61 HZ1 LYS 61 4.270 11.791 -16.116 494 2HZ LYS 61 HZ2 LYS 61 2.760 11.023 -16.047 495 3HZ LYS 61 HZ3 LYS 61 4.170 10.159 -15.666 496 H TYR 62 HN TYR 62 0.602 10.032 -7.515 497 HA TYR 62 HA TYR 62 -2.154 9.181 -8.011 498 1HB TYR 62 HB2 TYR 62 0.055 7.834 -6.899 499 2HB TYR 62 HB3 TYR 62 -1.040 8.169 -5.564 500 HD1 TYR 62 HD1 TYR 62 -1.581 7.197 -9.125 501 HD2 TYR 62 HD2 TYR 62 -2.234 6.318 -5.032 502 HE1 TYR 62 HE1 TYR 62 -2.964 5.240 -9.755 503 HE2 TYR 62 HE2 TYR 62 -3.564 4.379 -5.628 504 HH TYR 62 HH TYR 62 -4.500 3.760 -8.959 505 H ASN 63 HN ASN 63 -3.699 9.619 -6.494 506 HA ASN 63 HA ASN 63 -3.058 11.582 -4.405 507 1HB ASN 63 HB3 ASN 63 -5.411 11.590 -6.306 508 2HB ASN 63 HB2 ASN 63 -5.357 12.540 -4.829 509 1HD2 ASN 63 HD21 ASN 63 -4.895 14.576 -5.197 510 2HD2 ASN 63 HD22 ASN 63 -4.040 15.190 -6.557 511 H ILE 64 HN ILE 64 -2.911 9.721 -3.136 512 HA ILE 64 HA ILE 64 -5.325 8.136 -2.806 513 HB ILE 64 HB ILE 64 -3.289 6.904 -2.965 514 1HG1 ILE 64 HG12 ILE 64 -4.104 6.833 -0.065 515 2HG1 ILE 64 HG13 ILE 64 -5.088 6.163 -1.364 516 1HG2 ILE 64 HG21 ILE 64 -1.573 8.331 -2.332 517 2HG2 ILE 64 HG22 ILE 64 -2.331 8.711 -0.783 518 3HG2 ILE 64 HG23 ILE 64 -1.604 7.126 -1.037 519 1HD1 ILE 64 HD11 ILE 64 -3.287 4.655 -1.973 520 2HD1 ILE 64 HD12 ILE 64 -2.273 5.341 -0.692 521 3HD1 ILE 64 HD13 ILE 64 -3.735 4.444 -0.283 522 H ARG 65 HN ARG 65 -6.809 8.674 -1.443 523 HA ARG 65 HA ARG 65 -6.139 10.305 0.911 524 1HB ARG 65 HB2 ARG 65 -8.671 10.246 -0.689 525 2HB ARG 65 HB3 ARG 65 -8.454 11.169 0.770 526 1HG ARG 65 HG3 ARG 65 -6.674 12.449 -0.318 527 2HG ARG 65 HG2 ARG 65 -6.978 11.555 -1.815 528 1HD ARG 65 HD2 ARG 65 -8.130 13.702 -1.832 529 2HD ARG 65 HD3 ARG 65 -9.276 12.358 -1.833 530 HE ARG 65 HE ARG 65 -8.815 13.182 0.820 531 1HH1 ARG 65 HH12 ARG 65 -11.584 13.540 -1.484 532 2HH1 ARG 65 HH11 ARG 65 -10.748 15.007 -1.929 533 1HH2 ARG 65 HH21 ARG 65 -10.221 14.659 1.862 534 2HH2 ARG 65 HH22 ARG 65 -11.574 15.293 0.974 535 H GLN 66 HN GLN 66 -8.480 10.124 2.324 536 HA GLN 66 HA GLN 66 -9.203 7.335 2.611 537 1HB GLN 66 HB3 GLN 66 -8.494 7.212 4.977 538 2HB GLN 66 HB2 GLN 66 -7.135 7.384 3.870 539 1HG GLN 66 HG2 GLN 66 -6.507 8.873 5.454 540 2HG GLN 66 HG3 GLN 66 -7.453 9.944 4.425 541 1HE2 GLN 66 HE21 GLN 66 -9.198 7.624 6.239 542 2HE2 GLN 66 HE22 GLN 66 -9.754 8.684 7.490 543 H HIS 67 HN HIS 67 -11.134 7.029 3.745 544 HA HIS 67 HA HIS 67 -12.366 9.393 4.951 545 1HB HIS 67 HB3 HIS 67 -13.585 7.629 2.824 546 2HB HIS 67 HB2 HIS 67 -14.539 8.690 3.849 547 HD1 HIS 67 HD1 HIS 67 -13.467 11.341 3.747 548 HD2 HIS 67 HD2 HIS 67 -13.001 8.805 0.481 549 HE1 HIS 67 HE1 HIS 67 -13.030 12.844 1.769 550 HE2 HIS 67 HE2 HIS 67 -12.905 11.298 -0.219 551 H THR 68 HN THR 68 -12.729 8.800 6.996 552 HA THR 68 HA THR 68 -13.280 5.972 7.562 553 HB THR 68 HB THR 68 -12.620 8.106 9.586 554 HG1 THR 68 HG1 THR 68 -10.924 6.679 7.841 555 1HG2 THR 68 HG21 THR 68 -12.622 6.469 11.070 556 2HG2 THR 68 HG22 THR 68 -11.433 5.586 10.117 557 3HG2 THR 68 HG23 THR 68 -13.157 5.343 9.815 558 H THR 69 HN THR 69 -15.536 6.333 6.772 559 HA THR 69 HA THR 69 -17.280 7.984 8.324 560 HB THR 69 HB THR 69 -19.050 6.531 7.115 561 HG1 THR 69 HG1 THR 69 -18.374 5.079 5.737 562 1HG2 THR 69 HG21 THR 69 -18.670 8.697 6.234 563 2HG2 THR 69 HG22 THR 69 -18.615 7.554 4.881 564 3HG2 THR 69 HG23 THR 69 -17.119 8.212 5.539 565 H ASP 70 HN ASP 70 -16.188 4.729 8.312 566 HA ASP 70 HA ASP 70 -17.033 4.231 11.021 567 1HB ASP 70 HB2 ASP 70 -19.044 3.496 9.662 568 2HB ASP 70 HB3 ASP 70 -18.001 2.330 8.857 569 H GLU 71 HN GLU 71 -16.043 2.687 8.031 570 HA GLU 71 HA GLU 71 -13.722 1.509 9.404 571 1HB GLU 71 HB2 GLU 71 -14.881 0.950 6.664 572 2HB GLU 71 HB3 GLU 71 -13.471 0.153 7.358 573 1HG GLU 71 HG3 GLU 71 -14.753 -1.055 8.880 574 2HG GLU 71 HG2 GLU 71 -16.143 0.019 8.700 575 H ASP 72 HN ASP 72 -11.621 1.905 8.371 576 HA ASP 72 HA ASP 72 -11.561 4.542 7.196 577 1HB ASP 72 HB3 ASP 72 -9.884 3.612 8.931 578 2HB ASP 72 HB2 ASP 72 -9.116 2.837 7.546 579 H THR 73 HN THR 73 -12.162 4.639 5.164 580 HA THR 73 HA THR 73 -11.325 2.577 3.293 581 HB THR 73 HB THR 73 -12.991 5.050 2.766 582 HG1 THR 73 HG1 THR 73 -13.816 3.475 4.374 583 1HG2 THR 73 HG21 THR 73 -12.891 2.464 1.242 584 2HG2 THR 73 HG22 THR 73 -12.121 3.970 0.751 585 3HG2 THR 73 HG23 THR 73 -13.880 3.877 0.878 586 H ILE 74 HN ILE 74 -9.248 2.810 2.680 587 HA ILE 74 HA ILE 74 -8.178 5.483 2.200 588 HB ILE 74 HB ILE 74 -6.630 3.051 1.426 589 1HG1 ILE 74 HG12 ILE 74 -7.702 2.417 3.575 590 2HG1 ILE 74 HG13 ILE 74 -5.952 2.536 3.682 591 1HG2 ILE 74 HG21 ILE 74 -5.250 4.906 3.114 592 2HG2 ILE 74 HG22 ILE 74 -4.952 4.487 1.429 593 3HG2 ILE 74 HG23 ILE 74 -6.089 5.771 1.825 594 1HD1 ILE 74 HD11 ILE 74 -7.813 4.727 4.560 595 2HD1 ILE 74 HD12 ILE 74 -7.204 3.464 5.628 596 3HD1 ILE 74 HD13 ILE 74 -6.078 4.588 4.863 597 H VAL 75 HN VAL 75 -8.927 6.331 0.337 598 HA VAL 75 HA VAL 75 -9.404 4.553 -1.904 599 HB VAL 75 HB VAL 75 -10.541 6.459 -2.965 600 1HG1 VAL 75 HG11 VAL 75 -11.572 4.819 -1.224 601 2HG1 VAL 75 HG12 VAL 75 -11.669 6.259 -0.206 602 3HG1 VAL 75 HG13 VAL 75 -12.497 6.221 -1.763 603 1HG2 VAL 75 HG21 VAL 75 -10.960 8.515 -1.798 604 2HG2 VAL 75 HG22 VAL 75 -10.066 7.946 -0.396 605 3HG2 VAL 75 HG23 VAL 75 -9.216 8.266 -1.908 606 H LEU 76 HN LEU 76 -8.167 4.370 -3.576 607 HA LEU 76 HA LEU 76 -5.881 6.167 -3.852 608 1HB LEU 76 HB2 LEU 76 -6.535 3.483 -5.063 609 2HB LEU 76 HB3 LEU 76 -5.189 4.472 -5.603 610 HG LEU 76 HG LEU 76 -4.329 4.399 -3.228 611 1HD1 LEU 76 HD11 LEU 76 -6.798 2.980 -2.859 612 2HD1 LEU 76 HD12 LEU 76 -5.412 1.982 -2.370 613 3HD1 LEU 76 HD13 LEU 76 -5.656 3.582 -1.664 614 1HD2 LEU 76 HD21 LEU 76 -3.019 3.086 -4.492 615 2HD2 LEU 76 HD22 LEU 76 -3.793 1.797 -3.564 616 3HD2 LEU 76 HD23 LEU 76 -4.376 2.198 -5.188 617 H GLN 77 HN GLN 77 -6.264 7.897 -5.084 618 HA GLN 77 HA GLN 77 -8.036 7.559 -7.414 619 1HB GLN 77 HB3 GLN 77 -8.875 9.132 -5.719 620 2HB GLN 77 HB2 GLN 77 -7.392 10.072 -5.849 621 1HG GLN 77 HG3 GLN 77 -7.944 10.658 -8.141 622 2HG GLN 77 HG2 GLN 77 -9.398 9.663 -8.063 623 1HE2 GLN 77 HE21 GLN 77 -11.150 10.872 -7.871 624 2HE2 GLN 77 HE22 GLN 77 -11.348 12.157 -6.736 625 HA PRO 78 HA PRO 78 -4.331 8.449 -9.744 626 1HB PRO 78 HB3 PRO 78 -5.639 8.023 -12.186 627 2HB PRO 78 HB2 PRO 78 -4.782 6.808 -11.239 628 1HG PRO 78 HG3 PRO 78 -7.554 6.915 -11.748 629 2HG PRO 78 HG2 PRO 78 -6.723 5.835 -10.625 630 1HD PRO 78 HD2 PRO 78 -8.219 8.342 -10.079 631 2HD PRO 78 HD3 PRO 78 -7.962 6.918 -9.035 632 H GLN 79 HN GLN 79 -3.551 10.376 -10.532 633 HA GLN 79 HA GLN 79 -5.531 12.439 -11.127 634 1HB GLN 79 HB2 GLN 79 -3.773 14.037 -10.869 635 2HB GLN 79 HB3 GLN 79 -3.619 12.878 -9.558 636 1HG GLN 79 HG3 GLN 79 -1.833 11.745 -10.734 637 2HG GLN 79 HG2 GLN 79 -2.007 12.847 -12.094 638 1HE2 GLN 79 HE21 GLN 79 -2.506 14.318 -9.103 639 2HE2 GLN 79 HE22 GLN 79 -0.941 14.998 -8.873 640 H GLU 80 HN GLU 80 -4.386 10.085 -12.833 641 HA GLU 80 HA GLU 80 -3.884 11.678 -15.261 642 1HB GLU 80 HB3 GLU 80 -3.163 8.767 -14.825 643 2HB GLU 80 HB2 GLU 80 -2.756 9.757 -16.221 644 1HG GLU 80 HG3 GLU 80 -1.414 11.199 -14.639 645 2HG GLU 80 HG2 GLU 80 -1.621 9.911 -13.452 646 HA PRO 81 HA PRO 81 -7.663 9.949 -16.793 647 1HB PRO 81 HB3 PRO 81 -7.284 9.956 -19.468 648 2HB PRO 81 HB2 PRO 81 -7.485 11.436 -18.529 649 1HG PRO 81 HG2 PRO 81 -5.018 10.229 -19.647 650 2HG PRO 81 HG3 PRO 81 -5.452 11.926 -19.466 651 1HD PRO 81 HD3 PRO 81 -3.755 10.513 -17.783 652 2HD PRO 81 HD2 PRO 81 -4.573 12.034 -17.372 653 H GLY 82 HN GLY 82 -6.098 7.952 -15.788 654 1HA GLY 82 HA1 GLY 82 -7.011 5.696 -17.286 655 2HA GLY 82 HA2 GLY 82 -5.264 5.880 -17.365 656 H LEU 83 HN LEU 83 -4.236 4.713 -15.963 657 HA LEU 83 HA LEU 83 -3.946 3.162 -14.269 658 1HB LEU 83 HB3 LEU 83 -3.550 5.873 -13.556 659 2HB LEU 83 HB2 LEU 83 -4.117 5.030 -12.128 660 HG LEU 83 HG LEU 83 -1.637 4.442 -13.761 661 1HD1 LEU 83 HD21 LEU 83 -2.130 6.035 -11.506 662 2HD1 LEU 83 HD22 LEU 83 -1.296 4.609 -10.928 663 3HD1 LEU 83 HD23 LEU 83 -0.565 5.581 -12.189 664 1HD2 LEU 83 HD11 LEU 83 -1.636 2.306 -13.119 665 2HD2 LEU 83 HD12 LEU 83 -1.729 2.815 -11.426 666 3HD2 LEU 83 HD13 LEU 83 -3.209 2.525 -12.346 667 HA PRO 84 HA PRO 84 -7.977 1.834 -12.720 668 1HB PRO 84 HB2 PRO 84 -6.804 -0.327 -11.405 669 2HB PRO 84 HB3 PRO 84 -7.501 -0.364 -13.034 670 1HG PRO 84 HG3 PRO 84 -4.647 -0.122 -12.200 671 2HG PRO 84 HG2 PRO 84 -5.348 -0.938 -13.612 672 1HD PRO 84 HD2 PRO 84 -4.102 1.436 -13.839 673 2HD PRO 84 HD3 PRO 84 -5.522 1.031 -14.826 674 H SER 85 HN SER 85 -8.880 2.263 -10.789 675 HA SER 85 HA SER 85 -7.062 2.893 -8.568 676 1HB SER 85 HB3 SER 85 -8.871 4.551 -7.905 677 2HB SER 85 HB2 SER 85 -7.968 4.949 -9.355 678 HG SER 85 HG SER 85 -9.857 5.068 -10.276 679 H PHE 86 HN PHE 86 -7.726 2.271 -6.470 680 HA PHE 86 HA PHE 86 -10.186 0.714 -6.375 681 1HB PHE 86 HB2 PHE 86 -9.155 -1.157 -5.311 682 2HB PHE 86 HB3 PHE 86 -8.296 -0.824 -6.807 683 HD1 PHE 86 HD1 PHE 86 -8.101 -0.595 -3.136 684 HD2 PHE 86 HD2 PHE 86 -6.000 -0.306 -6.824 685 HE1 PHE 86 HE1 PHE 86 -5.948 -0.659 -1.913 686 HE2 PHE 86 HE2 PHE 86 -3.859 -0.345 -5.614 687 HZ PHE 86 HZ PHE 86 -3.839 -0.536 -3.154 688 H ARG 87 HN ARG 87 -10.750 0.079 -4.157 689 HA ARG 87 HA ARG 87 -10.102 2.213 -2.228 690 1HB ARG 87 HB3 ARG 87 -12.463 1.667 -1.323 691 2HB ARG 87 HB2 ARG 87 -12.354 2.616 -2.802 692 1HG ARG 87 HG2 ARG 87 -12.601 -0.347 -3.007 693 2HG ARG 87 HG3 ARG 87 -14.030 0.601 -2.603 694 1HD ARG 87 HD2 ARG 87 -14.134 1.589 -4.659 695 2HD ARG 87 HD3 ARG 87 -12.388 1.538 -4.890 696 HE ARG 87 HE ARG 87 -13.261 -1.088 -4.993 697 1HH1 ARG 87 HH12 ARG 87 -15.116 1.263 -6.938 698 2HH1 ARG 87 HH11 ARG 87 -13.607 1.614 -7.726 699 1HH2 ARG 87 HH21 ARG 87 -14.539 -1.895 -7.286 700 2HH2 ARG 87 HH22 ARG 87 -13.005 -1.552 -8.024 701 H ILE 88 HN ILE 88 -9.252 1.487 -0.320 702 HA ILE 88 HA ILE 88 -9.578 -1.388 0.160 703 HB ILE 88 HB ILE 88 -7.520 -0.984 1.743 704 1HG1 ILE 88 HG12 ILE 88 -7.107 1.116 -0.391 705 2HG1 ILE 88 HG13 ILE 88 -7.332 1.408 1.331 706 1HG2 ILE 88 HG21 ILE 88 -6.079 -1.413 -0.441 707 2HG2 ILE 88 HG22 ILE 88 -7.153 -2.630 0.257 708 3HG2 ILE 88 HG23 ILE 88 -7.694 -1.667 -1.125 709 1HD1 ILE 88 HD11 ILE 88 -5.269 0.344 1.852 710 2HD1 ILE 88 HD12 ILE 88 -5.048 -0.163 0.179 711 3HD1 ILE 88 HD13 ILE 88 -4.982 1.545 0.594 712 H LYS 89 HN LYS 89 -10.720 -1.986 1.762 713 HA LYS 89 HA LYS 89 -11.005 -0.235 4.102 714 1HB LYS 89 HB2 LYS 89 -13.146 -2.107 3.075 715 2HB LYS 89 HB3 LYS 89 -13.301 -0.931 4.365 716 1HG LYS 89 HG3 LYS 89 -12.743 0.759 2.415 717 2HG LYS 89 HG2 LYS 89 -13.359 -0.570 1.421 718 1HD LYS 89 HD2 LYS 89 -14.793 0.798 3.685 719 2HD LYS 89 HD3 LYS 89 -15.158 0.928 1.968 720 1HE LYS 89 HE3 LYS 89 -15.940 -1.284 1.848 721 2HE LYS 89 HE2 LYS 89 -15.183 -1.722 3.382 722 1HZ LYS 89 HZ1 LYS 89 -17.187 0.398 3.460 723 2HZ LYS 89 HZ2 LYS 89 -16.866 -0.819 4.581 724 3HZ LYS 89 HZ3 LYS 89 -17.758 -1.170 3.187 725 HA PRO 90 HA PRO 90 -9.357 -3.549 6.510 726 1HB PRO 90 HB2 PRO 90 -11.739 -3.104 8.262 727 2HB PRO 90 HB3 PRO 90 -10.032 -3.226 8.699 728 1HG PRO 90 HG2 PRO 90 -11.212 -0.856 8.616 729 2HG PRO 90 HG3 PRO 90 -9.564 -1.052 7.976 730 1HD PRO 90 HD3 PRO 90 -12.165 -0.808 6.512 731 2HD PRO 90 HD2 PRO 90 -10.566 -0.161 6.079 732 H LYS 91 HN LYS 91 -12.740 -3.595 5.741 733 HA LYS 91 HA LYS 91 -14.281 -5.146 5.232 734 1HB LYS 91 HB2 LYS 91 -12.111 -5.903 3.841 735 2HB LYS 91 HB3 LYS 91 -12.285 -7.320 4.874 736 1HG LYS 91 HG2 LYS 91 -14.677 -6.293 3.416 737 2HG LYS 91 HG3 LYS 91 -13.462 -7.213 2.530 738 1HD LYS 91 HD3 LYS 91 -14.840 -8.167 5.032 739 2HD LYS 91 HD2 LYS 91 -15.325 -8.606 3.395 740 1HE LYS 91 HE2 LYS 91 -12.992 -9.485 3.049 741 2HE LYS 91 HE3 LYS 91 -12.709 -9.215 4.768 742 1HZ LYS 91 HZ1 LYS 91 -14.524 -11.157 3.490 743 2HZ LYS 91 HZ2 LYS 91 -14.781 -10.654 5.087 744 3HZ LYS 91 HZ3 LYS 91 -13.324 -11.421 4.666 745 H ASP 92 HN ASP 92 -11.847 -7.233 6.702 746 HA ASP 92 HA ASP 92 -13.629 -7.678 8.991 747 1HB ASP 92 HB3 ASP 92 -13.885 -9.544 7.367 748 2HB ASP 92 HB2 ASP 92 -12.151 -9.852 7.476 749 H PHE 93 HN PHE 93 -12.548 -7.347 10.867 750 HA PHE 93 HA PHE 93 -9.786 -8.131 11.181 751 1HB PHE 93 HB3 PHE 93 -8.879 -5.955 11.657 752 2HB PHE 93 HB2 PHE 93 -9.656 -5.866 10.084 753 HD1 PHE 93 HD1 PHE 93 -9.534 -4.575 13.424 754 HD2 PHE 93 HD2 PHE 93 -11.943 -4.803 9.927 755 HE1 PHE 93 HE1 PHE 93 -10.907 -2.714 14.256 756 HE2 PHE 93 HE2 PHE 93 -13.315 -2.930 10.747 757 HZ PHE 93 HZ PHE 93 -12.803 -1.889 12.917 758 H GLU 94 HN GLU 94 -9.062 -7.058 13.500 759 HA GLU 94 HA GLU 94 -11.286 -7.633 15.359 760 1HB GLU 94 HB3 GLU 94 -8.317 -8.139 15.688 761 2HB GLU 94 HB2 GLU 94 -9.526 -8.424 16.932 762 1HG GLU 94 HG2 GLU 94 -10.532 -10.160 15.703 763 2HG GLU 94 HG3 GLU 94 -9.651 -9.736 14.239 764 H THR 95 HN THR 95 -8.082 -6.343 16.089 765 HA THR 95 HA THR 95 -9.294 -3.744 16.788 766 HB THR 95 HB THR 95 -7.062 -5.027 18.384 767 HG1 THR 95 HG1 THR 95 -9.854 -5.277 18.636 768 1HG2 THR 95 HG21 THR 95 -8.947 -2.767 19.001 769 2HG2 THR 95 HG22 THR 95 -7.213 -2.656 18.727 770 3HG2 THR 95 HG23 THR 95 -7.827 -3.491 20.149 771 H SER 96 HN SER 96 -8.193 -4.521 14.430 772 HA SER 96 HA SER 96 -5.435 -3.717 14.215 773 1HB SER 96 HB3 SER 96 -7.358 -4.276 11.964 774 2HB SER 96 HB2 SER 96 -5.604 -4.483 11.983 775 HG SER 96 HG SER 96 -5.975 -6.440 12.621 776 H GLU 97 HN GLU 97 -8.098 -1.812 14.529 777 HA GLU 97 HA GLU 97 -7.764 -0.061 12.300 778 1HB GLU 97 HB2 GLU 97 -9.234 0.185 14.884 779 2HB GLU 97 HB3 GLU 97 -9.101 1.560 13.786 780 1HG GLU 97 HG2 GLU 97 -10.416 -1.097 13.313 781 2HG GLU 97 HG3 GLU 97 -11.133 0.512 13.232 782 H TYR 98 HN TYR 98 -6.136 -0.350 15.313 783 HA TYR 98 HA TYR 98 -5.210 2.266 15.648 784 1HB TYR 98 HB2 TYR 98 -3.981 -0.404 16.333 785 2HB TYR 98 HB3 TYR 98 -3.157 1.112 16.694 786 HD1 TYR 98 HD1 TYR 98 -6.555 -0.393 17.149 787 HD2 TYR 98 HD2 TYR 98 -3.413 1.937 18.805 788 HE1 TYR 98 HE1 TYR 98 -7.840 -0.167 19.237 789 HE2 TYR 98 HE2 TYR 98 -4.661 2.140 20.909 790 HH TYR 98 HH TYR 98 -7.482 1.986 21.391 791 H VAL 99 HN VAL 99 -3.711 -0.459 13.926 792 HA VAL 99 HA VAL 99 -1.568 0.994 12.872 793 HB VAL 99 HB VAL 99 -2.915 -1.497 11.812 794 1HG1 VAL 99 HG21 VAL 99 -1.777 -0.847 9.921 795 2HG1 VAL 99 HG22 VAL 99 -0.557 0.043 10.830 796 3HG1 VAL 99 HG23 VAL 99 -0.499 -1.713 10.757 797 1HG2 VAL 99 HG11 VAL 99 -1.768 -2.604 13.360 798 2HG2 VAL 99 HG12 VAL 99 -0.271 -1.829 12.876 799 3HG2 VAL 99 HG13 VAL 99 -1.314 -1.054 14.063 800 H ARG 100 HN ARG 100 -4.801 0.352 11.590 801 HA ARG 100 HA ARG 100 -4.453 1.419 9.046 802 1HB ARG 100 HB2 ARG 100 -6.837 1.062 10.818 803 2HB ARG 100 HB3 ARG 100 -7.001 2.060 9.379 804 1HG ARG 100 HG3 ARG 100 -7.706 -0.251 8.994 805 2HG ARG 100 HG2 ARG 100 -6.345 0.213 7.972 806 1HD ARG 100 HD3 ARG 100 -4.810 -0.919 9.478 807 2HD ARG 100 HD2 ARG 100 -6.149 -1.365 10.531 808 HE ARG 100 HE ARG 100 -5.349 -2.623 8.082 809 1HH1 ARG 100 HH12 ARG 100 -8.341 -2.199 10.155 810 2HH1 ARG 100 HH11 ARG 100 -8.289 -3.935 10.234 811 1HH2 ARG 100 HH22 ARG 100 -6.674 -4.175 7.115 812 2HH2 ARG 100 HH21 ARG 100 -7.794 -4.959 8.189 813 H LYS 101 HN LYS 101 -5.431 3.046 12.047 814 HA LYS 101 HA LYS 101 -5.758 5.591 10.859 815 1HB LYS 101 HB3 LYS 101 -5.183 4.819 13.712 816 2HB LYS 101 HB2 LYS 101 -5.618 6.433 13.190 817 1HG LYS 101 HG3 LYS 101 -7.316 3.954 13.122 818 2HG LYS 101 HG2 LYS 101 -7.558 5.428 14.043 819 1HD LYS 101 HD2 LYS 101 -8.905 6.104 12.442 820 2HD LYS 101 HD3 LYS 101 -7.463 6.323 11.454 821 1HE LYS 101 HE3 LYS 101 -9.086 4.989 10.240 822 2HE LYS 101 HE2 LYS 101 -7.695 3.988 10.659 823 1HZ LYS 101 HZ1 LYS 101 -9.322 3.606 12.768 824 2HZ LYS 101 HZ2 LYS 101 -9.247 2.577 11.423 825 3HZ LYS 101 HZ3 LYS 101 -10.445 3.763 11.507 826 H ALA 102 HN ALA 102 -3.017 3.976 12.377 827 HA ALA 102 HA ALA 102 -1.288 6.242 12.376 828 1HB ALA 102 HB1 ALA 102 0.195 4.876 13.406 829 2HB ALA 102 HB2 ALA 102 -1.238 3.864 13.611 830 3HB ALA 102 HB3 ALA 102 -0.115 3.533 12.288 831 H TRP 103 HN TRP 103 -0.851 3.228 10.616 832 HA TRP 103 HA TRP 103 0.984 4.157 8.824 833 1HB TRP 103 HB2 TRP 103 0.991 2.081 7.987 834 2HB TRP 103 HB3 TRP 103 -0.043 1.751 9.367 835 HD1 TRP 103 HD1 TRP 103 -2.782 1.745 8.778 836 HE1 TRP 103 HE1 TRP 103 -3.928 0.787 6.687 837 HE3 TRP 103 HE3 TRP 103 1.224 1.643 5.618 838 HZ2 TRP 103 HZ2 TRP 103 -3.232 0.106 4.044 839 HZ3 TRP 103 HZ3 TRP 103 0.898 0.833 3.310 840 HH2 TRP 103 HH2 TRP 103 -1.275 0.090 2.541 841 H LEU 104 HN LEU 104 -2.495 4.621 8.583 842 HA LEU 104 HA LEU 104 -2.417 5.319 5.815 843 1HB LEU 104 HB3 LEU 104 -4.490 4.632 6.554 844 2HB LEU 104 HB2 LEU 104 -4.387 5.525 8.045 845 HG LEU 104 HG LEU 104 -6.118 6.201 6.313 846 1HD1 LEU 104 HD11 LEU 104 -4.949 8.715 6.912 847 2HD1 LEU 104 HD12 LEU 104 -6.279 7.879 7.719 848 3HD1 LEU 104 HD13 LEU 104 -4.618 7.595 8.250 849 1HD2 LEU 104 HD21 LEU 104 -5.578 7.195 4.392 850 2HD2 LEU 104 HD22 LEU 104 -4.204 8.050 5.101 851 3HD2 LEU 104 HD23 LEU 104 -4.035 6.367 4.590 852 H ARG 105 HN ARG 105 -2.165 6.965 8.838 853 HA ARG 105 HA ARG 105 -2.057 9.637 8.001 854 1HB ARG 105 HB3 ARG 105 -0.663 8.251 10.284 855 2HB ARG 105 HB2 ARG 105 -0.408 9.964 9.969 856 1HG ARG 105 HG2 ARG 105 -2.792 10.376 10.263 857 2HG ARG 105 HG3 ARG 105 -3.046 8.655 10.581 858 1HD ARG 105 HD3 ARG 105 -1.593 8.775 12.521 859 2HD ARG 105 HD2 ARG 105 -1.268 10.476 12.200 860 HE ARG 105 HE ARG 105 -4.048 10.089 12.473 861 1HH1 ARG 105 HH11 ARG 105 -1.394 11.432 14.518 862 2HH1 ARG 105 HH12 ARG 105 -1.468 9.895 15.350 863 1HH2 ARG 105 HH21 ARG 105 -5.086 10.772 14.404 864 2HH2 ARG 105 HH22 ARG 105 -4.204 10.691 15.905 865 H ASP 106 HN ASP 106 0.343 7.095 7.823 866 HA ASP 106 HA ASP 106 2.552 8.749 6.977 867 1HB ASP 106 HB3 ASP 106 2.301 6.193 7.951 868 2HB ASP 106 HB2 ASP 106 2.626 5.905 6.256 869 H ILE 107 HN ILE 107 -0.208 7.494 5.543 870 HA ILE 107 HA ILE 107 0.764 7.411 2.801 871 HB ILE 107 HB ILE 107 -1.851 6.853 4.118 872 1HG1 ILE 107 HG12 ILE 107 -1.859 5.046 2.328 873 2HG1 ILE 107 HG13 ILE 107 -0.256 5.610 1.882 874 1HG2 ILE 107 HG21 ILE 107 -1.732 8.457 1.736 875 2HG2 ILE 107 HG22 ILE 107 -2.512 6.917 1.405 876 3HG2 ILE 107 HG23 ILE 107 -3.130 7.957 2.691 877 1HD1 ILE 107 HD11 ILE 107 -0.695 4.906 4.725 878 2HD1 ILE 107 HD12 ILE 107 -0.634 3.586 3.538 879 3HD1 ILE 107 HD13 ILE 107 0.734 4.708 3.700 880 H ALA 108 HN ALA 108 -1.003 9.470 4.983 881 HA ALA 108 HA ALA 108 -1.689 11.519 3.139 882 1HB ALA 108 HB1 ALA 108 -1.997 11.014 5.959 883 2HB ALA 108 HB2 ALA 108 -1.540 12.686 5.664 884 3HB ALA 108 HB3 ALA 108 -2.969 12.019 4.887 885 H GLU 109 HN GLU 109 0.749 11.472 5.746 886 HA GLU 109 HA GLU 109 2.134 13.758 4.653 887 1HB GLU 109 HB2 GLU 109 3.762 13.350 6.492 888 2HB GLU 109 HB3 GLU 109 2.104 13.526 7.049 889 1HG GLU 109 HG2 GLU 109 1.911 11.247 7.551 890 2HG GLU 109 HG3 GLU 109 3.306 10.823 6.561 891 H GLU 110 HN GLU 110 2.024 11.947 2.693 892 HA GLU 110 HA GLU 110 4.176 10.148 2.520 893 1HB GLU 110 HB2 GLU 110 3.671 10.123 0.103 894 2HB GLU 110 HB3 GLU 110 2.245 9.930 1.110 895 1HG GLU 110 HG2 GLU 110 1.480 12.103 0.643 896 2HG GLU 110 HG3 GLU 110 3.034 12.600 -0.025 897 H GLN 111 HN GLN 111 6.154 10.788 2.859 898 HA GLN 111 HA GLN 111 8.070 12.013 2.858 899 1HB GLN 111 HB2 GLN 111 7.887 10.733 0.603 900 2HB GLN 111 HB3 GLN 111 7.645 12.331 -0.096 901 1HG GLN 111 HG3 GLN 111 9.765 13.065 0.879 902 2HG GLN 111 HG2 GLN 111 10.008 11.449 1.536 903 1HE2 GLN 111 HE21 GLN 111 8.530 10.925 -1.312 904 2HE2 GLN 111 HE22 GLN 111 9.857 10.969 -2.412 905 H GLU 112 HN GLU 112 6.125 13.730 3.688 906 HA GLU 112 HA GLU 112 6.213 16.113 2.041 907 1HB GLU 112 HB2 GLU 112 4.974 15.700 4.766 908 2HB GLU 112 HB3 GLU 112 4.793 17.133 3.770 909 1HG GLU 112 HG2 GLU 112 3.842 15.498 2.006 910 2HG GLU 112 HG3 GLU 112 3.647 14.410 3.382 911 H LYS 113 HN LYS 113 7.947 14.754 4.638 912 HA LYS 113 HA LYS 113 8.970 17.191 5.743 913 1HB LYS 113 HB3 LYS 113 9.857 14.302 5.955 914 2HB LYS 113 HB2 LYS 113 10.720 15.608 6.743 915 1HG LYS 113 HG2 LYS 113 9.260 14.535 8.339 916 2HG LYS 113 HG3 LYS 113 8.655 16.161 8.008 917 1HD LYS 113 HD2 LYS 113 7.033 15.212 6.415 918 2HD LYS 113 HD3 LYS 113 7.610 13.595 6.808 919 1HE LYS 113 HE2 LYS 113 6.472 15.475 8.856 920 2HE LYS 113 HE3 LYS 113 5.485 14.329 7.941 921 1HZ LYS 113 HZ1 LYS 113 7.770 13.093 9.145 922 2HZ LYS 113 HZ2 LYS 113 6.135 12.660 9.222 923 3HZ LYS 113 HZ3 LYS 113 6.756 13.821 10.291 924 H TYR 114 HN TYR 114 9.802 14.931 3.277 925 HA TYR 114 HA TYR 114 11.646 14.682 1.903 926 1HB TYR 114 HB3 TYR 114 9.714 16.272 1.012 927 2HB TYR 114 HB2 TYR 114 11.024 17.451 1.002 928 HD1 TYR 114 HD1 TYR 114 13.303 16.436 -0.095 929 HD2 TYR 114 HD2 TYR 114 9.334 15.157 -0.968 930 HE1 TYR 114 HE1 TYR 114 14.060 15.578 -2.278 931 HE2 TYR 114 HE2 TYR 114 10.082 14.311 -3.141 932 HH TYR 114 HH TYR 114 11.832 14.646 -4.733 933 H ALA 115 HN ALA 115 13.059 14.998 3.954 934 HA ALA 115 HA ALA 115 14.488 17.390 4.337 935 1HB ALA 115 HB1 ALA 115 14.934 14.537 5.106 936 2HB ALA 115 HB2 ALA 115 16.227 15.716 5.341 937 3HB ALA 115 HB3 ALA 115 14.672 15.954 6.128 938 H ALA 116 HN ALA 116 15.562 14.379 2.777 939 HA ALA 116 HA ALA 116 17.495 15.964 1.220 940 1HB ALA 116 HB1 ALA 116 17.615 13.295 2.481 941 2HB ALA 116 HB2 ALA 116 18.397 13.460 0.909 942 3HB ALA 116 HB3 ALA 116 18.886 14.500 2.250 943 H GLU 117 HN GLU 117 17.822 15.361 -1.008 944 HA GLU 117 HA GLU 117 15.330 14.505 -2.244 945 1HB GLU 117 HB3 GLU 117 17.901 15.538 -3.442 946 2HB GLU 117 HB2 GLU 117 16.483 15.083 -4.377 947 1HG GLU 117 HG2 GLU 117 15.183 16.821 -3.329 948 2HG GLU 117 HG3 GLU 117 16.534 17.225 -2.271 949 H ARG 118 HN ARG 118 15.809 12.375 -1.149 950 HA ARG 118 HA ARG 118 16.886 10.591 -3.157 951 1HB ARG 118 HB2 ARG 118 18.623 11.368 -1.308 952 2HB ARG 118 HB3 ARG 118 17.774 10.178 -0.333 953 1HG ARG 118 HG3 ARG 118 18.308 8.442 -1.951 954 2HG ARG 118 HG2 ARG 118 19.128 9.633 -2.967 955 1HD ARG 118 HD2 ARG 118 19.901 8.745 -0.195 956 2HD ARG 118 HD3 ARG 118 20.795 8.485 -1.691 957 HE ARG 118 HE ARG 118 20.525 11.220 -1.447 958 1HH1 ARG 118 HH11 ARG 118 21.776 9.463 1.546 959 2HH1 ARG 118 HH12 ARG 118 23.071 9.038 0.459 960 1HH2 ARG 118 HH21 ARG 118 21.996 12.448 0.608 961 2HH2 ARG 118 HH22 ARG 118 23.165 12.070 -0.616 962 H ASP 119 HN ASP 119 16.136 10.269 0.283 963 HA ASP 119 HA ASP 119 13.497 9.484 -0.055 964 1HB ASP 119 HB3 ASP 119 13.654 7.210 0.227 965 2HB ASP 119 HB2 ASP 119 14.789 7.552 -1.048 Start of MODEL 16 1 1H MET 1 HT1 MET 1 20.526 11.862 13.842 2 2H MET 1 HT2 MET 1 22.003 11.205 14.439 3 3H MET 1 HT3 MET 1 20.611 11.262 15.447 4 HA MET 1 HA MET 1 21.349 9.109 14.227 5 1HB MET 1 HB2 MET 1 19.051 8.372 14.444 6 2HB MET 1 HB3 MET 1 19.425 9.468 15.764 7 1HG MET 1 HG2 MET 1 18.263 11.279 14.569 8 2HG MET 1 HG3 MET 1 17.850 10.152 13.282 9 1HE MET 1 HE1 MET 1 16.376 9.600 17.612 10 2HE MET 1 HE2 MET 1 18.060 9.698 17.089 11 3HE MET 1 HE3 MET 1 17.059 11.149 17.112 12 H GLY 2 HN GLY 2 20.559 7.849 12.332 13 1HA GLY 2 HA1 GLY 2 19.349 9.187 10.128 14 2HA GLY 2 HA2 GLY 2 21.092 9.140 9.930 15 H ASP 3 HN ASP 3 18.208 7.149 10.316 16 HA ASP 3 HA ASP 3 19.619 4.724 9.638 17 1HB ASP 3 HB2 ASP 3 17.282 3.734 9.617 18 2HB ASP 3 HB3 ASP 3 17.807 4.421 11.149 19 H THR 4 HN THR 4 20.504 5.140 7.602 20 HA THR 4 HA THR 4 18.814 5.993 5.442 21 HB THR 4 HB THR 4 21.640 4.931 5.322 22 HG1 THR 4 HG1 THR 4 22.030 6.653 6.468 23 1HG2 THR 4 HG21 THR 4 21.885 5.850 3.256 24 2HG2 THR 4 HG22 THR 4 20.563 6.998 3.476 25 3HG2 THR 4 HG23 THR 4 20.211 5.298 3.170 26 H GLY 5 HN GLY 5 17.381 4.644 4.585 27 1HA GLY 5 HA1 GLY 5 18.353 2.073 3.608 28 2HA GLY 5 HA2 GLY 5 17.024 2.015 4.759 29 H LYS 6 HN LYS 6 17.577 1.734 1.620 30 HA LYS 6 HA LYS 6 15.506 3.471 0.600 31 1HB LYS 6 HB3 LYS 6 17.417 1.507 -0.593 32 2HB LYS 6 HB2 LYS 6 15.954 1.877 -1.495 33 1HG LYS 6 HG2 LYS 6 17.748 3.308 -2.249 34 2HG LYS 6 HG3 LYS 6 16.546 4.281 -1.408 35 1HD LYS 6 HD3 LYS 6 18.030 3.962 0.666 36 2HD LYS 6 HD2 LYS 6 19.277 3.449 -0.469 37 1HE LYS 6 HE3 LYS 6 19.588 5.784 -0.067 38 2HE LYS 6 HE2 LYS 6 18.918 5.604 -1.689 39 1HZ LYS 6 HZ1 LYS 6 16.772 6.237 -0.905 40 2HZ LYS 6 HZ2 LYS 6 17.878 7.399 -0.363 41 3HZ LYS 6 HZ3 LYS 6 17.286 6.231 0.712 42 H LEU 7 HN LEU 7 15.902 0.255 1.694 43 HA LEU 7 HA LEU 7 13.038 -0.279 1.277 44 1HB LEU 7 HB2 LEU 7 14.664 -1.658 -0.152 45 2HB LEU 7 HB3 LEU 7 15.191 -2.390 1.352 46 HG LEU 7 HG LEU 7 12.799 -3.122 1.712 47 1HD1 LEU 7 HD11 LEU 7 11.267 -2.159 0.424 48 2HD1 LEU 7 HD12 LEU 7 12.466 -1.603 -0.738 49 3HD1 LEU 7 HD13 LEU 7 11.821 -3.240 -0.858 50 1HD2 LEU 7 HD21 LEU 7 12.985 -4.774 -0.378 51 2HD2 LEU 7 HD22 LEU 7 14.628 -4.132 -0.388 52 3HD2 LEU 7 HD23 LEU 7 14.005 -4.924 1.058 53 H GLY 8 HN GLY 8 14.643 -2.760 2.902 54 1HA GLY 8 HA1 GLY 8 14.728 -3.381 5.115 55 2HA GLY 8 HA2 GLY 8 15.099 -1.695 5.431 56 H ARG 9 HN ARG 9 12.100 -1.864 3.926 57 HA ARG 9 HA ARG 9 9.971 -1.502 4.666 58 1HB ARG 9 HB2 ARG 9 10.899 -3.173 7.004 59 2HB ARG 9 HB3 ARG 9 9.226 -2.807 6.603 60 1HG ARG 9 HG3 ARG 9 9.245 -4.171 4.720 61 2HG ARG 9 HG2 ARG 9 11.004 -4.111 4.597 62 1HD ARG 9 HD2 ARG 9 11.128 -5.449 6.694 63 2HD ARG 9 HD3 ARG 9 9.374 -5.640 6.607 64 HE ARG 9 HE ARG 9 10.492 -6.395 4.145 65 1HH1 ARG 9 HH12 ARG 9 9.235 -8.589 6.887 66 2HH1 ARG 9 HH11 ARG 9 10.861 -8.290 7.456 67 1HH2 ARG 9 HH21 ARG 9 11.525 -8.834 4.024 68 2HH2 ARG 9 HH22 ARG 9 9.928 -9.443 4.369 69 H ILE 10 HN ILE 10 11.130 0.663 4.847 70 HA ILE 10 HA ILE 10 11.650 1.781 7.405 71 HB ILE 10 HB ILE 10 12.703 2.754 5.469 72 1HG1 ILE 10 HG12 ILE 10 12.003 5.151 5.678 73 2HG1 ILE 10 HG13 ILE 10 10.655 4.626 6.685 74 1HG2 ILE 10 HG21 ILE 10 10.497 4.099 4.231 75 2HG2 ILE 10 HG22 ILE 10 11.714 3.035 3.526 76 3HG2 ILE 10 HG23 ILE 10 10.251 2.356 4.231 77 1HD1 ILE 10 HD11 ILE 10 12.477 5.393 8.066 78 2HD1 ILE 10 HD12 ILE 10 12.253 3.652 8.261 79 3HD1 ILE 10 HD13 ILE 10 13.568 4.258 7.268 80 H ILE 11 HN ILE 11 8.751 1.892 5.261 81 HA ILE 11 HA ILE 11 7.409 3.476 7.305 82 HB ILE 11 HB ILE 11 6.240 2.496 4.696 83 1HG1 ILE 11 HG13 ILE 11 7.655 5.094 5.303 84 2HG1 ILE 11 HG12 ILE 11 8.211 3.812 4.234 85 1HG2 ILE 11 HG21 ILE 11 5.387 4.636 6.626 86 2HG2 ILE 11 HG22 ILE 11 4.724 4.430 5.001 87 3HG2 ILE 11 HG23 ILE 11 4.533 3.148 6.194 88 1HD1 ILE 11 HD11 ILE 11 7.368 5.137 2.673 89 2HD1 ILE 11 HD12 ILE 11 5.864 4.305 3.097 90 3HD1 ILE 11 HD13 ILE 11 6.218 5.906 3.767 91 H ARG 12 HN ARG 12 5.491 1.228 5.485 92 HA ARG 12 HA ARG 12 5.436 -0.757 7.592 93 1HB ARG 12 HB2 ARG 12 3.967 1.197 8.322 94 2HB ARG 12 HB3 ARG 12 2.903 0.765 6.991 95 1HG ARG 12 HG2 ARG 12 2.437 -1.379 7.968 96 2HG ARG 12 HG3 ARG 12 3.641 -1.105 9.230 97 1HD ARG 12 HD3 ARG 12 1.220 0.646 8.847 98 2HD ARG 12 HD2 ARG 12 1.256 -0.746 9.933 99 HE ARG 12 HE ARG 12 3.413 0.728 10.667 100 1HH1 ARG 12 HH11 ARG 12 0.629 3.040 10.259 101 2HH1 ARG 12 HH12 ARG 12 -0.222 1.642 10.848 102 1HH2 ARG 12 HH21 ARG 12 2.620 1.807 13.066 103 2HH2 ARG 12 HH22 ARG 12 2.407 3.312 12.220 104 H HIS 13 HN HIS 13 3.782 -2.508 7.085 105 HA HIS 13 HA HIS 13 2.863 -2.586 4.359 106 1HB HIS 13 HB2 HIS 13 4.095 -4.667 3.775 107 2HB HIS 13 HB3 HIS 13 5.145 -3.274 3.970 108 HD1 HIS 13 HD1 HIS 13 6.521 -5.821 4.043 109 HD2 HIS 13 HD2 HIS 13 4.822 -4.215 7.474 110 HE1 HIS 13 HE1 HIS 13 7.695 -6.937 5.964 111 HE2 HIS 13 HE2 HIS 13 6.551 -6.050 8.042 112 H ASP 14 HN ASP 14 0.856 -2.817 5.318 113 HA ASP 14 HA ASP 14 0.363 -5.338 6.753 114 1HB ASP 14 HB2 ASP 14 -1.060 -2.670 6.808 115 2HB ASP 14 HB3 ASP 14 -1.811 -4.149 7.430 116 H ALA 15 HN ALA 15 -1.820 -6.332 6.346 117 HA ALA 15 HA ALA 15 -2.211 -6.363 3.452 118 1HB ALA 15 HB1 ALA 15 -2.202 -8.401 5.457 119 2HB ALA 15 HB2 ALA 15 -3.739 -8.426 4.595 120 3HB ALA 15 HB3 ALA 15 -2.226 -8.561 3.701 121 H PHE 16 HN PHE 16 -4.096 -5.852 2.434 122 HA PHE 16 HA PHE 16 -6.367 -5.128 4.163 123 1HB PHE 16 HB2 PHE 16 -5.297 -3.561 1.821 124 2HB PHE 16 HB3 PHE 16 -6.832 -3.230 2.617 125 HD1 PHE 16 HD1 PHE 16 -6.506 -3.163 5.335 126 HD2 PHE 16 HD2 PHE 16 -3.597 -2.160 2.397 127 HE1 PHE 16 HE1 PHE 16 -5.324 -1.748 6.981 128 HE2 PHE 16 HE2 PHE 16 -2.415 -0.761 4.039 129 HZ PHE 16 HZ PHE 16 -3.278 -0.553 6.326 130 H GLN 17 HN GLN 17 -7.981 -6.399 3.757 131 HA GLN 17 HA GLN 17 -8.353 -7.679 1.205 132 1HB GLN 17 HB3 GLN 17 -8.802 -8.922 3.240 133 2HB GLN 17 HB2 GLN 17 -9.961 -7.713 3.766 134 1HG GLN 17 HG2 GLN 17 -11.425 -8.316 1.905 135 2HG GLN 17 HG3 GLN 17 -10.244 -9.519 1.378 136 1HE2 GLN 17 HE21 GLN 17 -10.990 -11.450 1.807 137 2HE2 GLN 17 HE22 GLN 17 -11.490 -11.976 3.388 138 H VAL 18 HN VAL 18 -9.239 -6.530 -0.448 139 HA VAL 18 HA VAL 18 -11.542 -4.802 0.179 140 HB VAL 18 HB VAL 18 -9.925 -3.763 -1.997 141 1HG1 VAL 18 HG21 VAL 18 -10.204 -1.671 -0.525 142 2HG1 VAL 18 HG22 VAL 18 -11.660 -2.404 -1.201 143 3HG1 VAL 18 HG23 VAL 18 -11.235 -2.680 0.485 144 1HG2 VAL 18 HG11 VAL 18 -8.479 -2.780 0.155 145 2HG2 VAL 18 HG12 VAL 18 -8.558 -4.521 0.434 146 3HG2 VAL 18 HG13 VAL 18 -7.892 -3.897 -1.078 147 H TRP 19 HN TRP 19 -11.484 -3.779 -2.568 148 HA TRP 19 HA TRP 19 -12.666 -6.083 -3.935 149 1HB TRP 19 HB2 TRP 19 -13.248 -3.129 -4.093 150 2HB TRP 19 HB3 TRP 19 -14.004 -4.335 -5.134 151 HD1 TRP 19 HD1 TRP 19 -15.571 -6.178 -3.890 152 HE1 TRP 19 HE1 TRP 19 -17.018 -5.980 -1.786 153 HE3 TRP 19 HE3 TRP 19 -13.374 -2.031 -1.797 154 HZ2 TRP 19 HZ2 TRP 19 -17.264 -4.237 0.429 155 HZ3 TRP 19 HZ3 TRP 19 -14.317 -1.158 0.298 156 HH2 TRP 19 HH2 TRP 19 -16.200 -2.254 1.393 157 H GLU 20 HN GLU 20 -10.792 -3.197 -4.365 158 HA GLU 20 HA GLU 20 -9.104 -2.596 -5.744 159 1HB GLU 20 HB2 GLU 20 -9.112 -5.432 -6.776 160 2HB GLU 20 HB3 GLU 20 -7.805 -4.252 -6.878 161 1HG GLU 20 HG2 GLU 20 -7.139 -4.594 -4.768 162 2HG GLU 20 HG3 GLU 20 -8.780 -4.879 -4.177 163 H GLY 21 HN GLY 21 -10.774 -1.310 -6.794 164 1HA GLY 21 HA2 GLY 21 -11.553 -0.391 -8.757 165 2HA GLY 21 HA1 GLY 21 -10.705 -1.660 -9.619 166 H ASP 22 HN ASP 22 -12.271 -2.131 -11.071 167 HA ASP 22 HA ASP 22 -14.962 -2.773 -10.136 168 1HB ASP 22 HB3 ASP 22 -13.759 -2.549 -12.910 169 2HB ASP 22 HB2 ASP 22 -15.417 -3.061 -12.615 170 H GLU 23 HN GLU 23 -13.259 -4.435 -9.054 171 HA GLU 23 HA GLU 23 -13.571 -6.969 -10.542 172 1HB GLU 23 HB3 GLU 23 -11.326 -6.170 -8.671 173 2HB GLU 23 HB2 GLU 23 -11.522 -7.759 -9.390 174 1HG GLU 23 HG2 GLU 23 -11.253 -6.741 -11.621 175 2HG GLU 23 HG3 GLU 23 -10.938 -5.192 -10.842 176 HA PRO 24 HA PRO 24 -15.723 -8.539 -6.983 177 1HB PRO 24 HB2 PRO 24 -14.065 -10.989 -7.078 178 2HB PRO 24 HB3 PRO 24 -15.808 -10.815 -7.309 179 1HG PRO 24 HG3 PRO 24 -14.158 -11.389 -9.355 180 2HG PRO 24 HG2 PRO 24 -15.604 -10.380 -9.575 181 1HD PRO 24 HD3 PRO 24 -12.734 -9.574 -9.320 182 2HD PRO 24 HD2 PRO 24 -13.995 -8.916 -10.379 183 HA PRO 25 HA PRO 25 -13.214 -7.708 -3.454 184 1HB PRO 25 HB2 PRO 25 -14.517 -9.939 -2.008 185 2HB PRO 25 HB3 PRO 25 -14.435 -8.225 -1.602 186 1HG PRO 25 HG3 PRO 25 -16.703 -9.333 -2.525 187 2HG PRO 25 HG2 PRO 25 -16.229 -7.692 -2.994 188 1HD PRO 25 HD3 PRO 25 -16.012 -10.244 -4.536 189 2HD PRO 25 HD2 PRO 25 -16.472 -8.626 -5.091 190 H LYS 26 HN LYS 26 -11.232 -8.184 -2.967 191 HA LYS 26 HA LYS 26 -10.318 -10.948 -2.991 192 1HB LYS 26 HB2 LYS 26 -9.634 -8.839 -4.853 193 2HB LYS 26 HB3 LYS 26 -8.224 -9.582 -4.117 194 1HG LYS 26 HG2 LYS 26 -8.823 -11.716 -4.930 195 2HG LYS 26 HG3 LYS 26 -10.427 -11.162 -5.409 196 1HD LYS 26 HD2 LYS 26 -7.974 -9.929 -6.596 197 2HD LYS 26 HD3 LYS 26 -8.583 -11.465 -7.214 198 1HE LYS 26 HE2 LYS 26 -9.546 -9.843 -8.593 199 2HE LYS 26 HE3 LYS 26 -10.826 -10.303 -7.478 200 1HZ LYS 26 HZ1 LYS 26 -9.252 -8.103 -6.534 201 2HZ LYS 26 HZ2 LYS 26 -10.942 -8.253 -6.656 202 3HZ LYS 26 HZ3 LYS 26 -10.030 -7.773 -8.003 203 H LEU 27 HN LEU 27 -7.530 -9.937 -2.813 204 HA LEU 27 HA LEU 27 -7.458 -8.478 -0.301 205 1HB LEU 27 HB3 LEU 27 -7.538 -11.199 -0.206 206 2HB LEU 27 HB2 LEU 27 -5.807 -10.933 -0.284 207 HG LEU 27 HG LEU 27 -7.661 -9.732 1.797 208 1HD1 LEU 27 HD11 LEU 27 -7.230 -12.299 1.743 209 2HD1 LEU 27 HD12 LEU 27 -5.646 -11.845 2.367 210 3HD1 LEU 27 HD13 LEU 27 -7.102 -11.414 3.262 211 1HD2 LEU 27 HD21 LEU 27 -5.118 -8.930 1.043 212 2HD2 LEU 27 HD22 LEU 27 -5.949 -8.536 2.545 213 3HD2 LEU 27 HD23 LEU 27 -4.857 -9.918 2.479 214 H ARG 28 HN ARG 28 -5.445 -7.417 0.011 215 HA ARG 28 HA ARG 28 -3.240 -8.022 -1.808 216 1HB ARG 28 HB3 ARG 28 -4.685 -5.370 -1.731 217 2HB ARG 28 HB2 ARG 28 -3.067 -5.558 -2.383 218 1HG ARG 28 HG3 ARG 28 -5.436 -7.086 -3.441 219 2HG ARG 28 HG2 ARG 28 -4.935 -5.515 -4.072 220 1HD ARG 28 HD2 ARG 28 -2.688 -6.489 -4.528 221 2HD ARG 28 HD3 ARG 28 -3.310 -8.055 -4.013 222 HE ARG 28 HE ARG 28 -3.662 -6.824 -6.564 223 1HH1 ARG 28 HH11 ARG 28 -6.429 -8.353 -4.785 224 2HH1 ARG 28 HH12 ARG 28 -5.304 -9.677 -4.717 225 1HH2 ARG 28 HH21 ARG 28 -5.984 -7.813 -7.808 226 2HH2 ARG 28 HH22 ARG 28 -4.775 -9.039 -8.023 227 H TYR 29 HN TYR 29 -1.415 -8.065 -0.485 228 HA TYR 29 HA TYR 29 -1.474 -6.618 2.032 229 1HB TYR 29 HB2 TYR 29 1.168 -7.476 0.953 230 2HB TYR 29 HB3 TYR 29 0.570 -7.492 2.596 231 HD1 TYR 29 HD1 TYR 29 0.304 -9.353 -0.611 232 HD2 TYR 29 HD2 TYR 29 -0.001 -9.452 3.626 233 HE1 TYR 29 HE1 TYR 29 0.179 -11.803 -0.698 234 HE2 TYR 29 HE2 TYR 29 -0.146 -11.914 3.558 235 HH TYR 29 HH TYR 29 -0.297 -13.753 2.201 236 H VAL 30 HN VAL 30 -0.906 -4.497 2.201 237 HA VAL 30 HA VAL 30 0.305 -3.230 -0.164 238 HB VAL 30 HB VAL 30 -1.194 -1.962 2.141 239 1HG1 VAL 30 HG21 VAL 30 -1.068 0.078 1.019 240 2HG1 VAL 30 HG22 VAL 30 0.546 -0.607 0.797 241 3HG1 VAL 30 HG23 VAL 30 -0.633 -0.680 -0.508 242 1HG2 VAL 30 HG11 VAL 30 -2.916 -1.618 0.250 243 2HG2 VAL 30 HG12 VAL 30 -2.048 -2.921 -0.568 244 3HG2 VAL 30 HG13 VAL 30 -2.796 -3.206 1.002 245 H PHE 31 HN PHE 31 2.389 -2.926 -0.067 246 HA PHE 31 HA PHE 31 3.694 -2.379 2.519 247 1HB PHE 31 HB2 PHE 31 5.294 -3.061 0.083 248 2HB PHE 31 HB3 PHE 31 5.592 -3.478 1.766 249 HD1 PHE 31 HD1 PHE 31 3.812 -5.193 2.767 250 HD2 PHE 31 HD2 PHE 31 4.781 -4.725 -1.349 251 HE1 PHE 31 HE1 PHE 31 3.058 -7.486 2.323 252 HE2 PHE 31 HE2 PHE 31 4.013 -7.012 -1.798 253 HZ PHE 31 HZ PHE 31 3.154 -8.401 0.042 254 H LEU 32 HN LEU 32 4.246 -0.294 2.826 255 HA LEU 32 HA LEU 32 4.831 1.273 0.422 256 1HB LEU 32 HB2 LEU 32 4.657 2.921 2.752 257 2HB LEU 32 HB3 LEU 32 3.778 3.018 1.233 258 HG LEU 32 HG LEU 32 2.917 1.124 3.410 259 1HD1 LEU 32 HD11 LEU 32 3.130 3.750 3.919 260 2HD1 LEU 32 HD12 LEU 32 1.552 3.714 3.130 261 3HD1 LEU 32 HD13 LEU 32 1.844 2.729 4.560 262 1HD2 LEU 32 HD21 LEU 32 0.791 2.280 1.975 263 2HD2 LEU 32 HD22 LEU 32 2.004 1.816 0.786 264 3HD2 LEU 32 HD23 LEU 32 1.371 0.614 1.910 265 H PHE 33 HN PHE 33 6.771 2.138 0.123 266 HA PHE 33 HA PHE 33 8.648 2.170 2.385 267 1HB PHE 33 HB2 PHE 33 9.400 1.289 -0.411 268 2HB PHE 33 HB3 PHE 33 10.466 1.362 0.988 269 HD1 PHE 33 HD1 PHE 33 7.667 -0.461 -0.558 270 HD2 PHE 33 HD2 PHE 33 10.506 -0.380 2.615 271 HE1 PHE 33 HE1 PHE 33 7.126 -2.798 -0.026 272 HE2 PHE 33 HE2 PHE 33 9.965 -2.722 3.160 273 HZ PHE 33 HZ PHE 33 8.279 -3.936 1.838 274 H ARG 34 HN ARG 34 10.755 3.468 1.468 275 HA ARG 34 HA ARG 34 9.597 5.981 0.642 276 1HB ARG 34 HB2 ARG 34 11.410 5.700 2.411 277 2HB ARG 34 HB3 ARG 34 12.522 5.438 1.071 278 1HG ARG 34 HG2 ARG 34 10.904 7.805 0.671 279 2HG ARG 34 HG3 ARG 34 11.809 7.863 2.186 280 1HD ARG 34 HD3 ARG 34 13.791 8.041 1.157 281 2HD ARG 34 HD2 ARG 34 13.360 6.875 -0.089 282 HE ARG 34 HE ARG 34 11.900 9.125 -0.705 283 1HH1 ARG 34 HH12 ARG 34 15.483 9.226 -0.052 284 2HH1 ARG 34 HH11 ARG 34 15.504 8.464 -1.613 285 1HH2 ARG 34 HH22 ARG 34 12.870 10.294 -2.756 286 2HH2 ARG 34 HH21 ARG 34 14.054 11.316 -1.990 287 H ASN 35 HN ASN 35 8.986 4.572 -1.285 288 HA ASN 35 HA ASN 35 10.544 5.453 -3.542 289 1HB ASN 35 HB3 ASN 35 10.216 2.521 -2.889 290 2HB ASN 35 HB2 ASN 35 10.389 3.074 -4.552 291 1HD2 ASN 35 HD21 ASN 35 12.018 1.742 -2.145 292 2HD2 ASN 35 HD22 ASN 35 13.572 2.465 -2.297 293 H LYS 36 HN LYS 36 8.110 2.932 -2.897 294 HA LYS 36 HA LYS 36 6.021 4.566 -4.071 295 1HB LYS 36 HB2 LYS 36 5.403 2.856 -5.737 296 2HB LYS 36 HB3 LYS 36 6.994 3.528 -6.024 297 1HG LYS 36 HG2 LYS 36 7.969 1.521 -4.906 298 2HG LYS 36 HG3 LYS 36 6.335 0.854 -4.841 299 1HD LYS 36 HD3 LYS 36 7.493 -0.006 -6.796 300 2HD LYS 36 HD2 LYS 36 6.157 1.039 -7.279 301 1HE LYS 36 HE2 LYS 36 7.707 2.873 -7.694 302 2HE LYS 36 HE3 LYS 36 9.055 1.871 -7.151 303 1HZ LYS 36 HZ1 LYS 36 8.837 0.468 -9.016 304 2HZ LYS 36 HZ2 LYS 36 8.735 2.047 -9.621 305 3HZ LYS 36 HZ3 LYS 36 7.332 1.116 -9.448 306 H ILE 37 HN ILE 37 4.300 2.205 -4.485 307 HA ILE 37 HA ILE 37 4.025 1.172 -1.753 308 HB ILE 37 HB ILE 37 1.737 2.378 -3.347 309 1HG1 ILE 37 HG13 ILE 37 2.992 3.225 -0.726 310 2HG1 ILE 37 HG12 ILE 37 3.118 4.070 -2.264 311 1HG2 ILE 37 HG21 ILE 37 0.401 1.857 -1.277 312 2HG2 ILE 37 HG22 ILE 37 0.892 0.452 -2.233 313 3HG2 ILE 37 HG23 ILE 37 1.752 0.857 -0.744 314 1HD1 ILE 37 HD11 ILE 37 1.502 5.197 -0.891 315 2HD1 ILE 37 HD12 ILE 37 0.655 4.408 -2.219 316 3HD1 ILE 37 HD13 ILE 37 0.634 3.687 -0.611 317 H MET 38 HN MET 38 4.494 -0.926 -2.275 318 HA MET 38 HA MET 38 3.319 -2.076 -4.689 319 1HB MET 38 HB2 MET 38 5.747 -2.434 -3.991 320 2HB MET 38 HB3 MET 38 5.125 -3.434 -2.693 321 1HG MET 38 HG3 MET 38 4.236 -5.023 -4.209 322 2HG MET 38 HG2 MET 38 4.561 -3.979 -5.590 323 1HE MET 38 HE1 MET 38 5.934 -7.269 -5.458 324 2HE MET 38 HE2 MET 38 5.328 -6.061 -6.589 325 3HE MET 38 HE3 MET 38 7.029 -6.520 -6.619 326 H PHE 39 HN PHE 39 1.755 -3.627 -4.695 327 HA PHE 39 HA PHE 39 0.903 -4.836 -2.193 328 1HB PHE 39 HB2 PHE 39 -1.359 -4.066 -2.306 329 2HB PHE 39 HB3 PHE 39 -0.327 -2.646 -2.419 330 HD1 PHE 39 HD1 PHE 39 0.303 -1.993 -4.919 331 HD2 PHE 39 HD2 PHE 39 -3.139 -4.200 -3.746 332 HE1 PHE 39 HE1 PHE 39 -0.828 -1.315 -6.993 333 HE2 PHE 39 HE2 PHE 39 -4.275 -3.541 -5.823 334 HZ PHE 39 HZ PHE 39 -3.114 -2.092 -7.462 335 H THR 40 HN THR 40 0.113 -6.839 -2.485 336 HA THR 40 HA THR 40 -1.331 -7.691 -4.723 337 HB THR 40 HB THR 40 0.693 -7.522 -5.981 338 HG1 THR 40 HG1 THR 40 0.983 -9.859 -6.453 339 1HG2 THR 40 HG21 THR 40 1.950 -8.810 -3.657 340 2HG2 THR 40 HG22 THR 40 2.610 -7.663 -4.823 341 3HG2 THR 40 HG23 THR 40 2.492 -9.373 -5.236 342 H GLU 41 HN GLU 41 -2.509 -9.284 -4.106 343 HA GLU 41 HA GLU 41 -1.551 -11.555 -2.690 344 1HB GLU 41 HB3 GLU 41 -1.906 -9.950 -0.793 345 2HB GLU 41 HB2 GLU 41 -3.601 -9.859 -1.254 346 1HG GLU 41 HG3 GLU 41 -3.937 -12.161 -0.736 347 2HG GLU 41 HG2 GLU 41 -2.213 -12.437 -0.539 348 H GLN 42 HN GLN 42 -3.639 -12.942 -2.129 349 HA GLN 42 HA GLN 42 -5.568 -12.627 -4.326 350 1HB GLN 42 HB2 GLN 42 -3.554 -14.443 -4.187 351 2HB GLN 42 HB3 GLN 42 -4.893 -15.350 -3.501 352 1HG GLN 42 HG2 GLN 42 -4.764 -14.100 -6.220 353 2HG GLN 42 HG3 GLN 42 -4.782 -15.816 -5.826 354 1HE2 GLN 42 HE21 GLN 42 -6.697 -16.807 -5.276 355 2HE2 GLN 42 HE22 GLN 42 -8.247 -16.008 -5.341 356 H ASP 43 HN ASP 43 -7.565 -13.373 -3.929 357 HA ASP 43 HA ASP 43 -8.246 -14.703 -1.472 358 1HB ASP 43 HB2 ASP 43 -8.087 -12.272 -0.815 359 2HB ASP 43 HB3 ASP 43 -9.438 -11.965 -1.905 360 H ALA 44 HN ALA 44 -9.589 -16.214 -2.192 361 HA ALA 44 HA ALA 44 -11.259 -17.288 -3.298 362 1HB ALA 44 HB1 ALA 44 -12.572 -15.672 -1.961 363 2HB ALA 44 HB2 ALA 44 -12.586 -14.579 -3.351 364 3HB ALA 44 HB3 ALA 44 -13.374 -16.158 -3.459 365 H SER 45 HN SER 45 -13.007 -16.624 -5.282 366 HA SER 45 HA SER 45 -13.267 -16.447 -7.507 367 1HB SER 45 HB3 SER 45 -10.855 -14.615 -7.433 368 2HB SER 45 HB2 SER 45 -12.029 -14.743 -8.743 369 HG SER 45 HG SER 45 -12.193 -13.358 -6.388 370 H THR 46 HN THR 46 -9.735 -16.355 -7.197 371 HA THR 46 HA THR 46 -9.554 -18.563 -9.116 372 HB THR 46 HB THR 46 -6.980 -17.862 -8.745 373 HG1 THR 46 HG1 THR 46 -7.083 -16.194 -7.424 374 1HG2 THR 46 HG21 THR 46 -7.897 -15.857 -10.461 375 2HG2 THR 46 HG22 THR 46 -9.008 -17.210 -10.663 376 3HG2 THR 46 HG23 THR 46 -7.276 -17.449 -10.898 377 H SER 47 HN SER 47 -10.549 -19.231 -6.724 378 HA SER 47 HA SER 47 -10.541 -20.771 -5.141 379 1HB SER 47 HB3 SER 47 -8.133 -21.850 -6.576 380 2HB SER 47 HB2 SER 47 -9.162 -22.739 -5.448 381 HG SER 47 HG SER 47 -10.939 -22.088 -6.952 382 HA PRO 48 HA PRO 48 -7.122 -20.538 -2.046 383 1HB PRO 48 HB2 PRO 48 -4.502 -20.675 -2.568 384 2HB PRO 48 HB3 PRO 48 -5.530 -22.109 -2.576 385 1HG PRO 48 HG3 PRO 48 -4.540 -20.482 -4.882 386 2HG PRO 48 HG2 PRO 48 -4.604 -22.246 -4.697 387 1HD PRO 48 HD3 PRO 48 -6.468 -20.826 -6.083 388 2HD PRO 48 HD2 PRO 48 -6.819 -22.349 -5.247 389 HA PRO 49 HA PRO 49 -5.980 -16.260 -1.972 390 1HB PRO 49 HB3 PRO 49 -5.036 -16.015 0.501 391 2HB PRO 49 HB2 PRO 49 -6.716 -16.502 0.238 392 1HG PRO 49 HG2 PRO 49 -4.324 -18.193 0.874 393 2HG PRO 49 HG3 PRO 49 -5.953 -18.254 1.581 394 1HD PRO 49 HD3 PRO 49 -5.089 -19.923 -0.429 395 2HD PRO 49 HD2 PRO 49 -6.794 -19.509 -0.142 396 H SER 50 HN SER 50 -3.991 -14.893 -1.117 397 HA SER 50 HA SER 50 -1.810 -14.254 -1.408 398 1HB SER 50 HB3 SER 50 -1.499 -16.536 -0.123 399 2HB SER 50 HB2 SER 50 -0.882 -17.086 -1.686 400 HG SER 50 HG SER 50 0.110 -15.050 0.002 401 H TYR 51 HN TYR 51 -1.467 -13.301 -3.274 402 HA TYR 51 HA TYR 51 -2.116 -14.648 -5.735 403 1HB TYR 51 HB2 TYR 51 -2.631 -12.223 -5.137 404 2HB TYR 51 HB3 TYR 51 -0.939 -11.883 -5.465 405 HD1 TYR 51 HD1 TYR 51 -3.727 -13.726 -7.188 406 HD2 TYR 51 HD2 TYR 51 -0.516 -10.944 -7.503 407 HE1 TYR 51 HE1 TYR 51 -4.250 -13.388 -9.563 408 HE2 TYR 51 HE2 TYR 51 -1.040 -10.611 -9.876 409 HH TYR 51 HH TYR 51 -2.234 -12.080 -11.732 410 H THR 52 HN THR 52 0.319 -12.365 -6.136 411 HA THR 52 HA THR 52 2.672 -13.844 -5.818 412 HB THR 52 HB THR 52 1.732 -15.168 -7.722 413 HG1 THR 52 HG1 THR 52 3.771 -15.376 -8.112 414 1HG2 THR 52 HG21 THR 52 1.668 -14.178 -9.980 415 2HG2 THR 52 HG22 THR 52 1.923 -12.585 -9.272 416 3HG2 THR 52 HG23 THR 52 0.451 -13.494 -8.903 417 H HIS 53 HN HIS 53 4.485 -12.518 -6.317 418 HA HIS 53 HA HIS 53 4.042 -9.753 -6.158 419 1HB HIS 53 HB2 HIS 53 6.455 -9.493 -6.572 420 2HB HIS 53 HB3 HIS 53 6.136 -10.751 -5.390 421 HD1 HIS 53 HD1 HIS 53 6.272 -13.316 -6.442 422 HD2 HIS 53 HD2 HIS 53 8.143 -10.233 -8.533 423 HE1 HIS 53 HE1 HIS 53 7.906 -14.431 -7.996 424 HE2 HIS 53 HE2 HIS 53 9.103 -12.545 -9.171 425 H TYR 54 HN TYR 54 3.119 -8.516 -7.705 426 HA TYR 54 HA TYR 54 4.196 -8.551 -10.397 427 1HB TYR 54 HB2 TYR 54 2.441 -10.355 -10.317 428 2HB TYR 54 HB3 TYR 54 1.257 -9.102 -9.960 429 HD1 TYR 54 HD1 TYR 54 3.839 -9.997 -12.481 430 HD2 TYR 54 HD2 TYR 54 0.113 -8.103 -11.727 431 HE1 TYR 54 HE1 TYR 54 3.548 -9.622 -14.895 432 HE2 TYR 54 HE2 TYR 54 -0.200 -7.723 -14.135 433 HH TYR 54 HH TYR 54 0.590 -8.718 -16.270 434 H SER 55 HN SER 55 1.247 -7.440 -8.709 435 HA SER 55 HA SER 55 1.274 -4.926 -10.088 436 1HB SER 55 HB2 SER 55 -0.709 -4.446 -8.573 437 2HB SER 55 HB3 SER 55 -0.876 -5.810 -9.675 438 HG SER 55 HG SER 55 -0.285 -5.898 -6.890 439 H SER 56 HN SER 56 1.451 -2.869 -9.270 440 HA SER 56 HA SER 56 2.199 -2.337 -6.564 441 1HB SER 56 HB3 SER 56 4.342 -3.221 -7.490 442 2HB SER 56 HB2 SER 56 4.331 -1.924 -8.689 443 HG SER 56 HG SER 56 5.098 -0.641 -7.237 444 H ILE 57 HN ILE 57 2.264 -0.093 -6.103 445 HA ILE 57 HA ILE 57 1.025 1.571 -8.195 446 HB ILE 57 HB ILE 57 0.974 1.709 -5.184 447 1HG1 ILE 57 HG13 ILE 57 -0.666 0.236 -6.288 448 2HG1 ILE 57 HG12 ILE 57 -1.440 1.576 -5.449 449 1HG2 ILE 57 HG21 ILE 57 -0.619 3.781 -6.437 450 2HG2 ILE 57 HG22 ILE 57 0.550 3.899 -5.116 451 3HG2 ILE 57 HG23 ILE 57 1.095 3.975 -6.792 452 1HD1 ILE 57 HD11 ILE 57 -0.956 1.407 -8.416 453 2HD1 ILE 57 HD12 ILE 57 -2.499 1.168 -7.586 454 3HD1 ILE 57 HD13 ILE 57 -1.715 2.748 -7.560 455 H ARG 58 HN ARG 58 1.822 3.761 -8.450 456 HA ARG 58 HA ARG 58 4.503 4.230 -7.345 457 1HB ARG 58 HB2 ARG 58 5.343 4.982 -9.497 458 2HB ARG 58 HB3 ARG 58 4.712 3.356 -9.655 459 1HG ARG 58 HG3 ARG 58 2.883 5.577 -10.285 460 2HG ARG 58 HG2 ARG 58 4.183 5.224 -11.426 461 1HD ARG 58 HD2 ARG 58 2.472 3.016 -10.377 462 2HD ARG 58 HD3 ARG 58 1.882 4.040 -11.687 463 HE ARG 58 HE ARG 58 4.374 3.297 -12.513 464 1HH1 ARG 58 HH12 ARG 58 1.415 1.119 -11.832 465 2HH1 ARG 58 HH11 ARG 58 2.784 0.111 -11.469 466 1HH2 ARG 58 HH21 ARG 58 4.786 0.835 -13.523 467 2HH2 ARG 58 HH22 ARG 58 3.402 1.081 -14.561 468 H LEU 59 HN LEU 59 4.791 6.243 -6.588 469 HA LEU 59 HA LEU 59 2.640 8.135 -6.660 470 1HB LEU 59 HB2 LEU 59 5.419 8.229 -5.490 471 2HB LEU 59 HB3 LEU 59 4.323 9.588 -5.427 472 HG LEU 59 HG LEU 59 2.706 8.083 -4.179 473 1HD1 LEU 59 HD11 LEU 59 3.682 5.952 -4.805 474 2HD1 LEU 59 HD12 LEU 59 5.146 6.347 -3.901 475 3HD1 LEU 59 HD13 LEU 59 3.610 6.158 -3.053 476 1HD2 LEU 59 HD21 LEU 59 4.395 8.135 -2.106 477 2HD2 LEU 59 HD22 LEU 59 5.269 9.191 -3.221 478 3HD2 LEU 59 HD23 LEU 59 3.613 9.576 -2.759 479 H ASP 60 HN ASP 60 3.322 7.571 -9.123 480 HA ASP 60 HA ASP 60 4.929 9.795 -10.162 481 1HB ASP 60 HB3 ASP 60 5.431 7.458 -10.915 482 2HB ASP 60 HB2 ASP 60 3.828 7.386 -11.631 483 H LYS 61 HN LYS 61 1.928 8.042 -11.034 484 HA LYS 61 HA LYS 61 0.695 10.678 -11.486 485 1HB LYS 61 HB2 LYS 61 0.433 8.324 -13.351 486 2HB LYS 61 HB3 LYS 61 -0.398 9.865 -13.511 487 1HG LYS 61 HG2 LYS 61 1.956 10.890 -13.614 488 2HG LYS 61 HG3 LYS 61 2.493 9.238 -13.954 489 1HD LYS 61 HD2 LYS 61 0.537 10.900 -15.526 490 2HD LYS 61 HD3 LYS 61 2.104 10.296 -16.052 491 1HE LYS 61 HE3 LYS 61 1.271 8.015 -15.983 492 2HE LYS 61 HE2 LYS 61 -0.278 8.588 -15.374 493 1HZ LYS 61 HZ1 LYS 61 -0.400 8.155 -17.740 494 2HZ LYS 61 HZ2 LYS 61 0.880 9.225 -18.029 495 3HZ LYS 61 HZ3 LYS 61 -0.603 9.814 -17.443 496 H TYR 62 HN TYR 62 0.157 9.517 -9.187 497 HA TYR 62 HA TYR 62 -2.597 8.613 -9.588 498 1HB TYR 62 HB3 TYR 62 -2.442 6.697 -8.376 499 2HB TYR 62 HB2 TYR 62 -0.767 6.764 -8.905 500 HD1 TYR 62 HD1 TYR 62 -3.026 7.378 -6.034 501 HD2 TYR 62 HD2 TYR 62 0.990 7.080 -7.389 502 HE1 TYR 62 HE1 TYR 62 -2.257 7.322 -3.704 503 HE2 TYR 62 HE2 TYR 62 1.772 7.021 -5.059 504 HH TYR 62 HH TYR 62 0.847 7.850 -2.763 505 H ASN 63 HN ASN 63 -4.059 9.236 -7.936 506 HA ASN 63 HA ASN 63 -2.953 11.227 -6.057 507 1HB ASN 63 HB2 ASN 63 -4.351 12.239 -7.807 508 2HB ASN 63 HB3 ASN 63 -5.689 11.179 -7.338 509 1HD2 ASN 63 HD21 ASN 63 -7.169 12.363 -6.316 510 2HD2 ASN 63 HD22 ASN 63 -6.838 13.664 -5.220 511 H ILE 64 HN ILE 64 -3.077 10.592 -4.058 512 HA ILE 64 HA ILE 64 -4.888 8.419 -3.401 513 HB ILE 64 HB ILE 64 -2.471 8.329 -2.766 514 1HG1 ILE 64 HG12 ILE 64 -4.255 8.153 -0.340 515 2HG1 ILE 64 HG13 ILE 64 -4.373 7.018 -1.686 516 1HG2 ILE 64 HG21 ILE 64 -2.927 10.854 -1.729 517 2HG2 ILE 64 HG22 ILE 64 -2.757 9.828 -0.307 518 3HG2 ILE 64 HG23 ILE 64 -1.478 9.870 -1.522 519 1HD1 ILE 64 HD11 ILE 64 -1.709 7.463 -0.474 520 2HD1 ILE 64 HD12 ILE 64 -2.883 6.502 0.421 521 3HD1 ILE 64 HD13 ILE 64 -2.408 6.011 -1.203 522 H ARG 65 HN ARG 65 -6.412 8.462 -1.878 523 HA ARG 65 HA ARG 65 -7.081 10.990 -0.550 524 1HB ARG 65 HB3 ARG 65 -8.920 9.316 -2.263 525 2HB ARG 65 HB2 ARG 65 -9.483 10.563 -1.159 526 1HG ARG 65 HG2 ARG 65 -7.510 11.200 -3.311 527 2HG ARG 65 HG3 ARG 65 -9.244 11.138 -3.645 528 1HD ARG 65 HD3 ARG 65 -9.604 12.790 -1.845 529 2HD ARG 65 HD2 ARG 65 -7.864 12.870 -1.602 530 HE ARG 65 HE ARG 65 -7.810 14.400 -3.274 531 1HH1 ARG 65 HH11 ARG 65 -11.162 13.156 -3.752 532 2HH1 ARG 65 HH12 ARG 65 -10.599 12.525 -5.279 533 1HH2 ARG 65 HH22 ARG 65 -9.021 15.799 -4.940 534 2HH2 ARG 65 HH21 ARG 65 -9.591 14.772 -6.211 535 H GLN 66 HN GLN 66 -9.403 10.256 0.600 536 HA GLN 66 HA GLN 66 -9.090 7.657 1.861 537 1HB GLN 66 HB3 GLN 66 -9.175 8.476 4.133 538 2HB GLN 66 HB2 GLN 66 -7.830 9.253 3.322 539 1HG GLN 66 HG3 GLN 66 -10.519 10.529 3.805 540 2HG GLN 66 HG2 GLN 66 -9.073 10.785 4.779 541 1HE2 GLN 66 HE21 GLN 66 -10.879 11.949 2.297 542 2HE2 GLN 66 HE22 GLN 66 -9.722 13.060 1.651 543 H HIS 67 HN HIS 67 -11.001 6.746 2.331 544 HA HIS 67 HA HIS 67 -13.404 8.215 1.534 545 1HB HIS 67 HB3 HIS 67 -12.758 5.862 0.713 546 2HB HIS 67 HB2 HIS 67 -13.250 5.303 2.293 547 HD1 HIS 67 HD1 HIS 67 -15.877 6.562 2.818 548 HD2 HIS 67 HD2 HIS 67 -14.707 5.366 -0.987 549 HE1 HIS 67 HE1 HIS 67 -18.012 6.234 1.533 550 HE2 HIS 67 HE2 HIS 67 -17.272 5.310 -0.692 551 H THR 68 HN THR 68 -14.443 9.217 3.127 552 HA THR 68 HA THR 68 -14.324 7.992 5.784 553 HB THR 68 HB THR 68 -15.222 10.824 5.150 554 HG1 THR 68 HG1 THR 68 -12.608 9.954 5.843 555 1HG2 THR 68 HG21 THR 68 -15.635 9.815 7.460 556 2HG2 THR 68 HG22 THR 68 -14.792 11.358 7.374 557 3HG2 THR 68 HG23 THR 68 -13.885 9.872 7.656 558 H THR 69 HN THR 69 -16.784 9.765 6.413 559 HA THR 69 HA THR 69 -19.027 9.581 6.486 560 HB THR 69 HB THR 69 -18.792 8.185 3.813 561 HG1 THR 69 HG1 THR 69 -18.220 10.692 4.494 562 1HG2 THR 69 HG21 THR 69 -21.053 8.788 5.425 563 2HG2 THR 69 HG22 THR 69 -20.991 8.051 3.826 564 3HG2 THR 69 HG23 THR 69 -21.079 9.808 3.987 565 H ASP 70 HN ASP 70 -18.828 8.205 8.267 566 HA ASP 70 HA ASP 70 -19.694 6.429 9.448 567 1HB ASP 70 HB3 ASP 70 -20.988 5.756 7.316 568 2HB ASP 70 HB2 ASP 70 -19.641 4.660 7.015 569 H GLU 71 HN GLU 71 -17.495 5.251 6.869 570 HA GLU 71 HA GLU 71 -15.671 4.450 9.035 571 1HB GLU 71 HB3 GLU 71 -16.365 2.860 6.568 572 2HB GLU 71 HB2 GLU 71 -15.046 2.468 7.658 573 1HG GLU 71 HG3 GLU 71 -17.012 2.559 9.439 574 2HG GLU 71 HG2 GLU 71 -17.969 2.163 8.013 575 H ASP 72 HN ASP 72 -13.529 4.661 8.644 576 HA ASP 72 HA ASP 72 -12.783 6.416 6.429 577 1HB ASP 72 HB3 ASP 72 -11.289 5.606 8.937 578 2HB ASP 72 HB2 ASP 72 -10.702 6.750 7.732 579 H THR 73 HN THR 73 -11.927 5.538 4.661 580 HA THR 73 HA THR 73 -10.221 3.146 4.903 581 HB THR 73 HB THR 73 -12.169 3.812 2.669 582 HG1 THR 73 HG1 THR 73 -12.597 2.666 5.069 583 1HG2 THR 73 HG21 THR 73 -10.206 1.658 3.009 584 2HG2 THR 73 HG22 THR 73 -10.915 2.337 1.546 585 3HG2 THR 73 HG23 THR 73 -11.813 1.157 2.496 586 H ILE 74 HN ILE 74 -8.598 3.020 3.075 587 HA ILE 74 HA ILE 74 -7.827 5.737 2.252 588 HB ILE 74 HB ILE 74 -6.191 3.194 2.223 589 1HG1 ILE 74 HG12 ILE 74 -6.663 3.990 4.527 590 2HG1 ILE 74 HG13 ILE 74 -4.964 4.182 4.113 591 1HG2 ILE 74 HG21 ILE 74 -4.277 4.642 1.720 592 2HG2 ILE 74 HG22 ILE 74 -5.513 4.790 0.477 593 3HG2 ILE 74 HG23 ILE 74 -5.336 6.050 1.697 594 1HD1 ILE 74 HD11 ILE 74 -5.103 6.483 4.013 595 2HD1 ILE 74 HD12 ILE 74 -6.850 6.475 3.734 596 3HD1 ILE 74 HD13 ILE 74 -6.209 6.100 5.337 597 H VAL 75 HN VAL 75 -7.869 6.301 0.143 598 HA VAL 75 HA VAL 75 -8.441 4.169 -1.820 599 HB VAL 75 HB VAL 75 -9.842 6.833 -1.551 600 1HG1 VAL 75 HG21 VAL 75 -9.277 5.424 -3.930 601 2HG1 VAL 75 HG22 VAL 75 -10.993 5.194 -3.571 602 3HG1 VAL 75 HG23 VAL 75 -10.328 6.822 -3.713 603 1HG2 VAL 75 HG11 VAL 75 -11.141 5.573 -0.223 604 2HG2 VAL 75 HG12 VAL 75 -11.786 4.943 -1.738 605 3HG2 VAL 75 HG13 VAL 75 -10.524 4.055 -0.878 606 H LEU 76 HN LEU 76 -7.110 4.143 -3.453 607 HA LEU 76 HA LEU 76 -5.525 6.527 -4.099 608 1HB LEU 76 HB2 LEU 76 -5.138 3.629 -4.878 609 2HB LEU 76 HB3 LEU 76 -4.103 4.945 -5.388 610 HG LEU 76 HG LEU 76 -3.742 5.343 -2.838 611 1HD1 LEU 76 HD11 LEU 76 -4.235 3.710 -1.327 612 2HD1 LEU 76 HD12 LEU 76 -5.574 3.470 -2.444 613 3HD1 LEU 76 HD13 LEU 76 -4.165 2.411 -2.530 614 1HD2 LEU 76 HD21 LEU 76 -1.997 3.434 -2.872 615 2HD2 LEU 76 HD22 LEU 76 -2.546 3.194 -4.529 616 3HD2 LEU 76 HD23 LEU 76 -1.868 4.746 -4.044 617 H GLN 77 HN GLN 77 -6.179 7.703 -5.761 618 HA GLN 77 HA GLN 77 -7.932 6.432 -7.745 619 1HB GLN 77 HB2 GLN 77 -7.782 9.289 -6.789 620 2HB GLN 77 HB3 GLN 77 -8.798 8.752 -8.121 621 1HG GLN 77 HG2 GLN 77 -9.995 7.258 -6.592 622 2HG GLN 77 HG3 GLN 77 -8.997 7.840 -5.260 623 1HE2 GLN 77 HE21 GLN 77 -10.143 9.090 -4.030 624 2HE2 GLN 77 HE22 GLN 77 -11.441 10.130 -4.524 625 HA PRO 78 HA PRO 78 -5.135 7.526 -10.982 626 1HB PRO 78 HB2 PRO 78 -6.778 7.283 -13.096 627 2HB PRO 78 HB3 PRO 78 -6.272 5.884 -12.141 628 1HG PRO 78 HG2 PRO 78 -8.873 7.342 -12.118 629 2HG PRO 78 HG3 PRO 78 -8.543 5.606 -11.926 630 1HD PRO 78 HD2 PRO 78 -9.032 7.413 -9.844 631 2HD PRO 78 HD3 PRO 78 -8.289 5.807 -9.674 632 H GLN 79 HN GLN 79 -4.654 9.684 -10.552 633 HA GLN 79 HA GLN 79 -6.284 11.889 -10.804 634 1HB GLN 79 HB2 GLN 79 -4.254 13.204 -11.112 635 2HB GLN 79 HB3 GLN 79 -4.016 11.983 -9.870 636 1HG GLN 79 HG3 GLN 79 -2.770 10.602 -11.373 637 2HG GLN 79 HG2 GLN 79 -3.126 11.680 -12.727 638 1HE2 GLN 79 HE21 GLN 79 -1.617 13.047 -13.236 639 2HE2 GLN 79 HE22 GLN 79 -0.426 13.711 -12.181 640 H GLU 80 HN GLU 80 -4.661 10.016 -13.302 641 HA GLU 80 HA GLU 80 -5.915 11.685 -15.365 642 1HB GLU 80 HB3 GLU 80 -3.388 11.771 -15.218 643 2HB GLU 80 HB2 GLU 80 -3.372 10.071 -15.652 644 1HG GLU 80 HG3 GLU 80 -4.582 10.670 -17.752 645 2HG GLU 80 HG2 GLU 80 -4.373 12.366 -17.320 646 HA PRO 81 HA PRO 81 -8.180 8.040 -16.356 647 1HB PRO 81 HB3 PRO 81 -8.052 8.952 -19.167 648 2HB PRO 81 HB2 PRO 81 -9.458 8.600 -18.157 649 1HG PRO 81 HG3 PRO 81 -8.796 11.111 -18.755 650 2HG PRO 81 HG2 PRO 81 -9.418 10.679 -17.156 651 1HD PRO 81 HD3 PRO 81 -6.597 11.217 -18.003 652 2HD PRO 81 HD2 PRO 81 -7.431 11.710 -16.514 653 H GLY 82 HN GLY 82 -7.553 6.033 -16.720 654 1HA GLY 82 HA1 GLY 82 -6.452 4.664 -18.665 655 2HA GLY 82 HA2 GLY 82 -5.034 5.572 -18.142 656 H LEU 83 HN LEU 83 -5.477 5.667 -15.458 657 HA LEU 83 HA LEU 83 -4.726 2.991 -14.638 658 1HB LEU 83 HB2 LEU 83 -3.506 5.008 -13.834 659 2HB LEU 83 HB3 LEU 83 -4.973 5.563 -13.055 660 HG LEU 83 HG LEU 83 -4.881 3.388 -11.709 661 1HD1 LEU 83 HD11 LEU 83 -2.222 3.359 -13.032 662 2HD1 LEU 83 HD12 LEU 83 -2.363 2.805 -11.363 663 3HD1 LEU 83 HD13 LEU 83 -3.298 2.020 -12.639 664 1HD2 LEU 83 HD21 LEU 83 -4.506 5.196 -10.402 665 2HD2 LEU 83 HD22 LEU 83 -2.903 4.459 -10.323 666 3HD2 LEU 83 HD23 LEU 83 -3.204 5.808 -11.421 667 HA PRO 84 HA PRO 84 -8.845 2.064 -13.266 668 1HB PRO 84 HB2 PRO 84 -8.371 -0.028 -11.620 669 2HB PRO 84 HB3 PRO 84 -8.140 -0.163 -13.368 670 1HG PRO 84 HG2 PRO 84 -6.102 0.381 -11.233 671 2HG PRO 84 HG3 PRO 84 -6.026 -0.801 -12.557 672 1HD PRO 84 HD2 PRO 84 -4.809 1.601 -12.711 673 2HD PRO 84 HD3 PRO 84 -5.527 0.824 -14.136 674 H SER 85 HN SER 85 -9.809 1.326 -10.908 675 HA SER 85 HA SER 85 -9.051 3.540 -9.136 676 1HB SER 85 HB3 SER 85 -11.540 1.824 -8.976 677 2HB SER 85 HB2 SER 85 -11.253 3.375 -8.181 678 HG SER 85 HG SER 85 -11.410 2.958 -10.993 679 H PHE 86 HN PHE 86 -8.275 3.136 -7.069 680 HA PHE 86 HA PHE 86 -8.172 0.296 -6.292 681 1HB PHE 86 HB3 PHE 86 -6.034 0.908 -7.216 682 2HB PHE 86 HB2 PHE 86 -5.961 2.347 -6.212 683 HD1 PHE 86 HD1 PHE 86 -6.924 -1.068 -5.127 684 HD2 PHE 86 HD2 PHE 86 -3.972 1.995 -5.044 685 HE1 PHE 86 HE1 PHE 86 -5.677 -2.316 -3.414 686 HE2 PHE 86 HE2 PHE 86 -2.721 0.749 -3.326 687 HZ PHE 86 HZ PHE 86 -3.580 -1.402 -2.512 688 H ARG 87 HN ARG 87 -8.839 -0.131 -4.287 689 HA ARG 87 HA ARG 87 -8.843 2.021 -2.279 690 1HB ARG 87 HB2 ARG 87 -11.095 0.018 -2.548 691 2HB ARG 87 HB3 ARG 87 -11.048 1.452 -1.535 692 1HG ARG 87 HG3 ARG 87 -12.222 2.474 -3.119 693 2HG ARG 87 HG2 ARG 87 -10.752 2.453 -4.102 694 1HD ARG 87 HD2 ARG 87 -11.397 0.344 -5.086 695 2HD ARG 87 HD3 ARG 87 -12.822 0.264 -4.046 696 HE ARG 87 HE ARG 87 -12.833 2.666 -5.546 697 1HH1 ARG 87 HH12 ARG 87 -14.661 -0.456 -5.638 698 2HH1 ARG 87 HH11 ARG 87 -13.842 -0.791 -7.133 699 1HH2 ARG 87 HH21 ARG 87 -15.108 2.459 -7.022 700 2HH2 ARG 87 HH22 ARG 87 -14.175 1.782 -8.327 701 H ILE 88 HN ILE 88 -8.560 1.238 -0.109 702 HA ILE 88 HA ILE 88 -8.149 -1.649 0.187 703 HB ILE 88 HB ILE 88 -6.150 -0.932 1.743 704 1HG1 ILE 88 HG12 ILE 88 -6.147 1.230 -0.378 705 2HG1 ILE 88 HG13 ILE 88 -6.440 1.487 1.338 706 1HG2 ILE 88 HG21 ILE 88 -5.256 -2.315 0.270 707 2HG2 ILE 88 HG22 ILE 88 -6.427 -1.843 -0.959 708 3HG2 ILE 88 HG23 ILE 88 -4.933 -0.920 -0.770 709 1HD1 ILE 88 HD11 ILE 88 -3.972 1.440 -0.062 710 2HD1 ILE 88 HD12 ILE 88 -4.266 1.764 1.651 711 3HD1 ILE 88 HD13 ILE 88 -3.985 0.114 1.096 712 H LYS 89 HN LYS 89 -9.529 -2.252 1.718 713 HA LYS 89 HA LYS 89 -9.928 -0.412 3.982 714 1HB LYS 89 HB3 LYS 89 -12.153 -1.362 4.248 715 2HB LYS 89 HB2 LYS 89 -11.938 -0.691 2.637 716 1HG LYS 89 HG2 LYS 89 -12.230 -2.666 1.616 717 2HG LYS 89 HG3 LYS 89 -11.404 -3.580 2.888 718 1HD LYS 89 HD2 LYS 89 -13.352 -3.464 4.295 719 2HD LYS 89 HD3 LYS 89 -14.149 -2.363 3.167 720 1HE LYS 89 HE3 LYS 89 -15.062 -4.580 2.905 721 2HE LYS 89 HE2 LYS 89 -14.139 -4.152 1.466 722 1HZ LYS 89 HZ1 LYS 89 -13.534 -6.163 3.524 723 2HZ LYS 89 HZ2 LYS 89 -12.240 -5.418 2.716 724 3HZ LYS 89 HZ3 LYS 89 -13.420 -6.276 1.846 725 HA PRO 90 HA PRO 90 -8.415 -3.773 6.483 726 1HB PRO 90 HB2 PRO 90 -8.313 -2.102 8.738 727 2HB PRO 90 HB3 PRO 90 -7.004 -2.339 7.579 728 1HG PRO 90 HG2 PRO 90 -8.454 0.033 8.023 729 2HG PRO 90 HG3 PRO 90 -7.313 -0.291 6.712 730 1HD PRO 90 HD3 PRO 90 -10.283 -0.397 6.692 731 2HD PRO 90 HD2 PRO 90 -9.153 0.032 5.385 732 H LYS 91 HN LYS 91 -11.095 -3.905 5.942 733 HA LYS 91 HA LYS 91 -12.759 -3.464 8.222 734 1HB LYS 91 HB2 LYS 91 -13.526 -3.424 5.850 735 2HB LYS 91 HB3 LYS 91 -13.301 -5.170 5.783 736 1HG LYS 91 HG3 LYS 91 -15.638 -4.511 6.125 737 2HG LYS 91 HG2 LYS 91 -15.006 -5.502 7.445 738 1HD LYS 91 HD2 LYS 91 -14.662 -3.512 8.784 739 2HD LYS 91 HD3 LYS 91 -15.205 -2.496 7.446 740 1HE LYS 91 HE2 LYS 91 -17.405 -3.567 7.532 741 2HE LYS 91 HE3 LYS 91 -16.875 -4.559 8.895 742 1HZ LYS 91 HZ1 LYS 91 -17.251 -1.612 8.809 743 2HZ LYS 91 HZ2 LYS 91 -16.411 -2.383 10.061 744 3HZ LYS 91 HZ3 LYS 91 -18.050 -2.736 9.806 745 H ASP 92 HN ASP 92 -11.286 -6.390 6.814 746 HA ASP 92 HA ASP 92 -11.663 -7.708 9.370 747 1HB ASP 92 HB3 ASP 92 -13.632 -8.265 8.003 748 2HB ASP 92 HB2 ASP 92 -12.570 -8.881 6.746 749 H PHE 93 HN PHE 93 -9.772 -8.462 9.929 750 HA PHE 93 HA PHE 93 -8.259 -10.336 8.612 751 1HB PHE 93 HB2 PHE 93 -7.865 -8.356 7.012 752 2HB PHE 93 HB3 PHE 93 -6.907 -7.650 8.308 753 HD1 PHE 93 HD1 PHE 93 -4.844 -8.835 9.099 754 HD2 PHE 93 HD2 PHE 93 -7.004 -10.049 5.648 755 HE1 PHE 93 HE1 PHE 93 -2.894 -10.132 8.343 756 HE2 PHE 93 HE2 PHE 93 -5.068 -11.362 4.885 757 HZ PHE 93 HZ PHE 93 -3.005 -11.400 6.234 758 H GLU 94 HN GLU 94 -6.722 -11.126 9.989 759 HA GLU 94 HA GLU 94 -6.838 -10.336 12.671 760 1HB GLU 94 HB3 GLU 94 -4.694 -11.964 11.287 761 2HB GLU 94 HB2 GLU 94 -4.941 -11.872 13.023 762 1HG GLU 94 HG3 GLU 94 -6.032 -13.818 12.589 763 2HG GLU 94 HG2 GLU 94 -7.366 -12.685 12.377 764 H THR 95 HN THR 95 -6.166 -8.481 13.456 765 HA THR 95 HA THR 95 -4.905 -6.674 13.954 766 HB THR 95 HB THR 95 -2.536 -8.140 12.777 767 HG1 THR 95 HG1 THR 95 -2.884 -9.563 14.275 768 1HG2 THR 95 HG21 THR 95 -2.805 -6.082 14.935 769 2HG2 THR 95 HG22 THR 95 -1.926 -5.947 13.420 770 3HG2 THR 95 HG23 THR 95 -1.355 -7.047 14.674 771 H SER 96 HN SER 96 -6.211 -5.699 12.280 772 HA SER 96 HA SER 96 -4.568 -4.342 10.355 773 1HB SER 96 HB3 SER 96 -6.907 -6.061 9.483 774 2HB SER 96 HB2 SER 96 -6.185 -4.821 8.476 775 HG SER 96 HG SER 96 -4.919 -6.368 7.869 776 H GLU 97 HN GLU 97 -7.811 -5.055 11.447 777 HA GLU 97 HA GLU 97 -9.029 -2.566 10.887 778 1HB GLU 97 HB3 GLU 97 -9.954 -4.928 11.808 779 2HB GLU 97 HB2 GLU 97 -9.938 -4.022 13.314 780 1HG GLU 97 HG2 GLU 97 -11.216 -2.754 10.945 781 2HG GLU 97 HG3 GLU 97 -12.060 -4.096 11.715 782 H TYR 98 HN TYR 98 -7.063 -3.678 13.520 783 HA TYR 98 HA TYR 98 -7.506 -1.405 15.212 784 1HB TYR 98 HB2 TYR 98 -5.440 -3.610 15.245 785 2HB TYR 98 HB3 TYR 98 -5.456 -2.301 16.419 786 HD1 TYR 98 HD1 TYR 98 -7.933 -4.727 14.994 787 HD2 TYR 98 HD2 TYR 98 -6.383 -2.803 18.460 788 HE1 TYR 98 HE1 TYR 98 -9.526 -5.968 16.389 789 HE2 TYR 98 HE2 TYR 98 -7.986 -4.037 19.858 790 HH TYR 98 HH TYR 98 -10.504 -5.207 19.185 791 H VAL 99 HN VAL 99 -4.777 -2.463 13.130 792 HA VAL 99 HA VAL 99 -3.316 -0.076 13.583 793 HB VAL 99 HB VAL 99 -1.897 -0.810 11.703 794 1HG1 VAL 99 HG11 VAL 99 -2.193 -2.010 14.143 795 2HG1 VAL 99 HG12 VAL 99 -2.320 -3.380 13.045 796 3HG1 VAL 99 HG13 VAL 99 -0.885 -2.357 13.004 797 1HG2 VAL 99 HG21 VAL 99 -4.073 -1.868 10.579 798 2HG2 VAL 99 HG22 VAL 99 -2.447 -2.438 10.202 799 3HG2 VAL 99 HG23 VAL 99 -3.448 -3.317 11.359 800 H ARG 100 HN ARG 100 -6.099 -0.649 11.909 801 HA ARG 100 HA ARG 100 -5.962 0.839 9.571 802 1HB ARG 100 HB3 ARG 100 -7.863 -0.444 9.826 803 2HB ARG 100 HB2 ARG 100 -8.086 0.029 11.500 804 1HG ARG 100 HG3 ARG 100 -8.686 2.340 10.489 805 2HG ARG 100 HG2 ARG 100 -8.975 1.398 9.020 806 1HD ARG 100 HD2 ARG 100 -10.394 -0.152 10.386 807 2HD ARG 100 HD3 ARG 100 -10.211 0.959 11.738 808 HE ARG 100 HE ARG 100 -11.284 2.236 9.423 809 1HH1 ARG 100 HH11 ARG 100 -12.162 0.172 12.215 810 2HH1 ARG 100 HH12 ARG 100 -13.343 1.382 12.635 811 1HH2 ARG 100 HH22 ARG 100 -13.854 3.100 10.497 812 2HH2 ARG 100 HH21 ARG 100 -14.385 1.604 9.782 813 H LYS 101 HN LYS 101 -6.521 1.747 12.891 814 HA LYS 101 HA LYS 101 -7.103 4.500 12.500 815 1HB LYS 101 HB3 LYS 101 -5.956 3.014 14.880 816 2HB LYS 101 HB2 LYS 101 -6.420 4.705 14.905 817 1HG LYS 101 HG2 LYS 101 -8.611 4.241 15.037 818 2HG LYS 101 HG3 LYS 101 -8.487 2.860 13.951 819 1HD LYS 101 HD2 LYS 101 -9.125 2.239 16.244 820 2HD LYS 101 HD3 LYS 101 -7.632 1.472 15.706 821 1HE LYS 101 HE3 LYS 101 -7.200 2.160 17.903 822 2HE LYS 101 HE2 LYS 101 -6.422 3.368 16.885 823 1HZ LYS 101 HZ1 LYS 101 -8.501 4.734 17.198 824 2HZ LYS 101 HZ2 LYS 101 -7.536 4.536 18.576 825 3HZ LYS 101 HZ3 LYS 101 -8.956 3.630 18.398 826 H ALA 102 HN ALA 102 -4.205 2.598 12.911 827 HA ALA 102 HA ALA 102 -2.470 4.928 13.012 828 1HB ALA 102 HB1 ALA 102 -1.178 2.321 12.659 829 2HB ALA 102 HB2 ALA 102 -0.906 3.568 13.879 830 3HB ALA 102 HB3 ALA 102 -2.230 2.414 14.068 831 H TRP 103 HN TRP 103 -4.021 3.551 10.493 832 HA TRP 103 HA TRP 103 -1.701 3.893 8.693 833 1HB TRP 103 HB3 TRP 103 -4.288 2.432 8.296 834 2HB TRP 103 HB2 TRP 103 -3.499 3.155 6.895 835 HD1 TRP 103 HD1 TRP 103 -2.769 0.542 9.674 836 HE1 TRP 103 HE1 TRP 103 -1.006 -1.125 8.804 837 HE3 TRP 103 HE3 TRP 103 -1.702 2.713 5.150 838 HZ2 TRP 103 HZ2 TRP 103 0.598 -1.473 6.531 839 HZ3 TRP 103 HZ3 TRP 103 -0.028 1.621 3.697 840 HH2 TRP 103 HH2 TRP 103 1.092 -0.403 4.351 841 H LEU 104 HN LEU 104 -4.565 5.212 9.896 842 HA LEU 104 HA LEU 104 -5.032 7.201 7.937 843 1HB LEU 104 HB3 LEU 104 -5.885 6.871 10.776 844 2HB LEU 104 HB2 LEU 104 -6.523 8.050 9.680 845 HG LEU 104 HG LEU 104 -6.738 5.077 9.261 846 1HD1 LEU 104 HD21 LEU 104 -8.322 5.089 10.827 847 2HD1 LEU 104 HD22 LEU 104 -8.274 6.848 10.964 848 3HD1 LEU 104 HD23 LEU 104 -9.278 6.091 9.729 849 1HD2 LEU 104 HD11 LEU 104 -8.476 7.117 7.964 850 2HD2 LEU 104 HD12 LEU 104 -6.852 6.830 7.333 851 3HD2 LEU 104 HD13 LEU 104 -8.006 5.501 7.412 852 H ARG 105 HN ARG 105 -2.376 6.972 8.865 853 HA ARG 105 HA ARG 105 -1.823 9.710 9.600 854 1HB ARG 105 HB2 ARG 105 -1.891 8.657 11.795 855 2HB ARG 105 HB3 ARG 105 -0.840 7.359 11.236 856 1HG ARG 105 HG3 ARG 105 0.959 9.019 10.866 857 2HG ARG 105 HG2 ARG 105 -0.101 10.265 11.526 858 1HD ARG 105 HD3 ARG 105 -0.152 9.180 13.665 859 2HD ARG 105 HD2 ARG 105 0.743 7.803 13.032 860 HE ARG 105 HE ARG 105 2.350 10.006 12.584 861 1HH1 ARG 105 HH11 ARG 105 1.088 9.645 16.046 862 2HH1 ARG 105 HH12 ARG 105 1.572 8.042 15.608 863 1HH2 ARG 105 HH22 ARG 105 3.699 11.090 14.426 864 2HH2 ARG 105 HH21 ARG 105 4.350 9.608 15.085 865 H ASP 106 HN ASP 106 -0.756 6.489 8.626 866 HA ASP 106 HA ASP 106 1.871 7.156 7.874 867 1HB ASP 106 HB2 ASP 106 -0.009 4.956 7.055 868 2HB ASP 106 HB3 ASP 106 1.525 5.164 6.216 869 H ILE 107 HN ILE 107 -1.132 7.900 6.537 870 HA ILE 107 HA ILE 107 -0.021 8.673 3.941 871 HB ILE 107 HB ILE 107 -2.762 8.128 4.983 872 1HG1 ILE 107 HG12 ILE 107 -3.021 7.260 2.616 873 2HG1 ILE 107 HG13 ILE 107 -1.326 7.664 2.377 874 1HG2 ILE 107 HG21 ILE 107 -2.162 10.407 3.202 875 2HG2 ILE 107 HG22 ILE 107 -3.521 9.375 2.753 876 3HG2 ILE 107 HG23 ILE 107 -3.497 10.161 4.332 877 1HD1 ILE 107 HD11 ILE 107 -1.455 6.133 4.729 878 2HD1 ILE 107 HD12 ILE 107 -2.446 5.324 3.515 879 3HD1 ILE 107 HD13 ILE 107 -0.763 5.702 3.163 880 H ALA 108 HN ALA 108 -1.635 9.880 6.801 881 HA ALA 108 HA ALA 108 -1.934 12.580 6.164 882 1HB ALA 108 HB1 ALA 108 -2.749 12.773 8.253 883 2HB ALA 108 HB2 ALA 108 -2.637 11.013 8.247 884 3HB ALA 108 HB3 ALA 108 -1.355 11.977 8.981 885 H GLU 109 HN GLU 109 0.893 10.889 6.663 886 HA GLU 109 HA GLU 109 2.522 13.247 6.545 887 1HB GLU 109 HB3 GLU 109 3.855 12.653 8.591 888 2HB GLU 109 HB2 GLU 109 2.224 13.219 8.942 889 1HG GLU 109 HG2 GLU 109 1.469 10.934 9.224 890 2HG GLU 109 HG3 GLU 109 3.084 10.338 8.849 891 H GLU 110 HN GLU 110 2.178 11.271 4.718 892 HA GLU 110 HA GLU 110 3.935 9.087 4.920 893 1HB GLU 110 HB2 GLU 110 3.797 9.077 2.398 894 2HB GLU 110 HB3 GLU 110 2.263 9.003 3.245 895 1HG GLU 110 HG3 GLU 110 1.874 11.342 2.834 896 2HG GLU 110 HG2 GLU 110 3.464 11.498 2.082 897 H GLN 111 HN GLN 111 6.019 8.784 4.235 898 HA GLN 111 HA GLN 111 7.756 10.824 4.815 899 1HB GLN 111 HB2 GLN 111 8.241 8.389 4.992 900 2HB GLN 111 HB3 GLN 111 8.541 8.386 3.255 901 1HG GLN 111 HG2 GLN 111 10.355 9.824 3.457 902 2HG GLN 111 HG3 GLN 111 9.897 10.300 5.085 903 1HE2 GLN 111 HE21 GLN 111 11.272 9.570 6.512 904 2HE2 GLN 111 HE22 GLN 111 11.925 7.971 6.581 905 H GLU 112 HN GLU 112 6.902 9.769 1.466 906 HA GLU 112 HA GLU 112 8.916 11.262 0.206 907 1HB GLU 112 HB2 GLU 112 6.164 10.477 -0.692 908 2HB GLU 112 HB3 GLU 112 7.170 11.523 -1.683 909 1HG GLU 112 HG3 GLU 112 7.823 8.731 -0.785 910 2HG GLU 112 HG2 GLU 112 7.397 9.235 -2.416 911 H LYS 113 HN LYS 113 5.930 12.217 1.605 912 HA LYS 113 HA LYS 113 5.741 14.822 0.526 913 1HB LYS 113 HB3 LYS 113 4.393 13.224 2.642 914 2HB LYS 113 HB2 LYS 113 4.129 14.970 2.621 915 1HG LYS 113 HG2 LYS 113 2.433 13.567 1.348 916 2HG LYS 113 HG3 LYS 113 3.153 14.912 0.464 917 1HD LYS 113 HD2 LYS 113 4.844 13.206 -0.419 918 2HD LYS 113 HD3 LYS 113 3.759 11.970 0.212 919 1HE LYS 113 HE3 LYS 113 3.033 14.057 -1.828 920 2HE LYS 113 HE2 LYS 113 3.425 12.377 -2.167 921 1HZ LYS 113 HZ1 LYS 113 1.208 12.190 -2.082 922 2HZ LYS 113 HZ2 LYS 113 1.007 13.514 -1.041 923 3HZ LYS 113 HZ3 LYS 113 1.504 12.013 -0.418 924 H TYR 114 HN TYR 114 7.920 13.621 2.712 925 HA TYR 114 HA TYR 114 8.043 15.638 4.678 926 1HB TYR 114 HB2 TYR 114 9.948 13.580 3.661 927 2HB TYR 114 HB3 TYR 114 10.637 14.930 4.554 928 HD1 TYR 114 HD1 TYR 114 7.494 12.960 5.027 929 HD2 TYR 114 HD2 TYR 114 11.213 14.214 6.657 930 HE1 TYR 114 HE1 TYR 114 6.946 11.821 7.138 931 HE2 TYR 114 HE2 TYR 114 10.674 13.092 8.774 932 HH TYR 114 HH TYR 114 7.561 11.431 9.259 933 H ALA 115 HN ALA 115 9.041 15.475 1.387 934 HA ALA 115 HA ALA 115 10.744 17.786 1.426 935 1HB ALA 115 HB1 ALA 115 9.404 16.594 -0.989 936 2HB ALA 115 HB2 ALA 115 10.915 17.497 -0.912 937 3HB ALA 115 HB3 ALA 115 10.830 15.868 -0.250 938 H ALA 116 HN ALA 116 9.996 19.768 1.687 939 HA ALA 116 HA ALA 116 7.216 20.399 1.466 940 1HB ALA 116 HB1 ALA 116 9.496 22.334 1.828 941 2HB ALA 116 HB2 ALA 116 7.800 22.577 2.247 942 3HB ALA 116 HB3 ALA 116 8.772 21.408 3.140 943 H GLU 117 HN GLU 117 7.492 19.562 -0.918 944 HA GLU 117 HA GLU 117 7.792 21.954 -2.617 945 1HB GLU 117 HB3 GLU 117 8.432 19.087 -3.336 946 2HB GLU 117 HB2 GLU 117 8.465 20.437 -4.461 947 1HG GLU 117 HG2 GLU 117 10.261 21.471 -3.224 948 2HG GLU 117 HG3 GLU 117 10.187 20.199 -2.006 949 H ARG 118 HN ARG 118 6.294 22.235 -4.252 950 HA ARG 118 HA ARG 118 3.773 20.823 -3.827 951 1HB ARG 118 HB2 ARG 118 4.247 23.202 -5.622 952 2HB ARG 118 HB3 ARG 118 2.719 22.626 -4.966 953 1HG ARG 118 HG2 ARG 118 3.428 23.235 -2.726 954 2HG ARG 118 HG3 ARG 118 4.980 23.797 -3.353 955 1HD ARG 118 HD3 ARG 118 3.591 25.370 -4.832 956 2HD ARG 118 HD2 ARG 118 2.241 24.955 -3.776 957 HE ARG 118 HE ARG 118 4.340 26.780 -3.197 958 1HH1 ARG 118 HH12 ARG 118 1.482 25.559 -1.338 959 2HH1 ARG 118 HH11 ARG 118 2.594 24.319 -0.833 960 1HH2 ARG 118 HH21 ARG 118 3.739 27.903 -0.887 961 2HH2 ARG 118 HH22 ARG 118 4.635 26.665 -0.064 962 H ASP 119 HN ASP 119 5.446 22.061 -6.707 963 HA ASP 119 HA ASP 119 5.285 19.488 -8.011 964 1HB ASP 119 HB3 ASP 119 3.042 20.594 -8.411 965 2HB ASP 119 HB2 ASP 119 3.903 21.854 -9.292 Start of MODEL 17 1 1H MET 1 HT1 MET 1 18.868 6.584 22.454 2 2H MET 1 HT2 MET 1 17.285 6.409 21.819 3 3H MET 1 HT3 MET 1 18.562 5.434 21.207 4 HA MET 1 HA MET 1 18.782 4.541 23.516 5 1HB MET 1 HB2 MET 1 17.492 6.442 24.546 6 2HB MET 1 HB3 MET 1 16.054 5.822 23.732 7 1HG MET 1 HG3 MET 1 16.347 3.661 24.960 8 2HG MET 1 HG2 MET 1 17.663 4.399 25.874 9 1HE MET 1 HE1 MET 1 15.355 4.366 28.750 10 2HE MET 1 HE2 MET 1 14.653 3.284 27.540 11 3HE MET 1 HE3 MET 1 16.405 3.393 27.714 12 H GLY 2 HN GLY 2 16.001 4.976 21.339 13 1HA GLY 2 HA1 GLY 2 15.949 2.093 20.906 14 2HA GLY 2 HA2 GLY 2 14.468 2.868 21.438 15 H ASP 3 HN ASP 3 15.891 1.704 18.828 16 HA ASP 3 HA ASP 3 14.983 3.815 17.009 17 1HB ASP 3 HB2 ASP 3 16.262 2.778 15.291 18 2HB ASP 3 HB3 ASP 3 17.286 2.876 16.716 19 H THR 4 HN THR 4 13.620 3.250 15.176 20 HA THR 4 HA THR 4 12.002 0.833 15.669 21 HB THR 4 HB THR 4 11.058 3.445 14.507 22 HG1 THR 4 HG1 THR 4 11.067 4.048 16.505 23 1HG2 THR 4 HG21 THR 4 9.624 1.655 13.787 24 2HG2 THR 4 HG22 THR 4 8.831 2.586 15.052 25 3HG2 THR 4 HG23 THR 4 9.543 1.019 15.435 26 H GLY 5 HN GLY 5 12.551 -0.644 14.145 27 1HA GLY 5 HA2 GLY 5 12.423 -1.512 11.987 28 2HA GLY 5 HA1 GLY 5 12.326 0.127 11.360 29 H LYS 6 HN LYS 6 14.284 -2.528 11.830 30 HA LYS 6 HA LYS 6 16.740 -0.973 11.394 31 1HB LYS 6 HB3 LYS 6 16.408 -3.861 12.209 32 2HB LYS 6 HB2 LYS 6 17.946 -3.078 11.905 33 1HG LYS 6 HG3 LYS 6 17.232 -1.468 13.732 34 2HG LYS 6 HG2 LYS 6 16.002 -2.667 14.120 35 1HD LYS 6 HD2 LYS 6 17.700 -4.328 14.536 36 2HD LYS 6 HD3 LYS 6 18.984 -3.256 13.962 37 1HE LYS 6 HE2 LYS 6 17.247 -2.751 16.404 38 2HE LYS 6 HE3 LYS 6 18.908 -3.353 16.429 39 1HZ LYS 6 HZ1 LYS 6 19.012 -1.024 16.836 40 2HZ LYS 6 HZ2 LYS 6 17.965 -0.678 15.545 41 3HZ LYS 6 HZ3 LYS 6 19.540 -1.237 15.246 42 H LEU 7 HN LEU 7 14.544 -3.322 10.083 43 HA LEU 7 HA LEU 7 16.213 -3.894 7.769 44 1HB LEU 7 HB2 LEU 7 13.437 -4.727 8.578 45 2HB LEU 7 HB3 LEU 7 13.990 -4.957 6.927 46 HG LEU 7 HG LEU 7 14.261 -7.010 8.237 47 1HD1 LEU 7 HD21 LEU 7 15.933 -6.405 6.455 48 2HD1 LEU 7 HD22 LEU 7 16.971 -5.791 7.742 49 3HD1 LEU 7 HD23 LEU 7 16.545 -7.500 7.698 50 1HD2 LEU 7 HD11 LEU 7 15.608 -5.197 10.142 51 2HD2 LEU 7 HD12 LEU 7 14.543 -6.569 10.448 52 3HD2 LEU 7 HD13 LEU 7 16.220 -6.840 9.983 53 H GLY 8 HN GLY 8 14.554 -3.763 5.634 54 1HA GLY 8 HA1 GLY 8 14.512 -0.934 5.095 55 2HA GLY 8 HA2 GLY 8 14.126 -2.227 3.968 56 H ARG 9 HN ARG 9 12.447 -2.286 6.986 57 HA ARG 9 HA ARG 9 9.947 -1.798 5.655 58 1HB ARG 9 HB3 ARG 9 10.227 -2.163 8.625 59 2HB ARG 9 HB2 ARG 9 8.901 -2.642 7.569 60 1HG ARG 9 HG2 ARG 9 11.633 -3.876 7.525 61 2HG ARG 9 HG3 ARG 9 10.242 -4.555 8.375 62 1HD ARG 9 HD2 ARG 9 9.064 -4.602 6.185 63 2HD ARG 9 HD3 ARG 9 10.566 -4.092 5.416 64 HE ARG 9 HE ARG 9 10.787 -6.476 7.050 65 1HH1 ARG 9 HH12 ARG 9 11.893 -5.765 3.734 66 2HH1 ARG 9 HH11 ARG 9 10.300 -6.174 3.172 67 1HH2 ARG 9 HH21 ARG 9 10.335 -8.711 5.291 68 2HH2 ARG 9 HH22 ARG 9 12.022 -8.281 5.106 69 H ILE 10 HN ILE 10 10.937 0.391 5.198 70 HA ILE 10 HA ILE 10 11.104 2.373 7.152 71 HB ILE 10 HB ILE 10 12.236 2.519 4.999 72 1HG1 ILE 10 HG13 ILE 10 10.343 4.833 5.340 73 2HG1 ILE 10 HG12 ILE 10 11.708 4.537 6.416 74 1HG2 ILE 10 HG21 ILE 10 9.504 3.105 3.908 75 2HG2 ILE 10 HG22 ILE 10 11.005 3.170 2.989 76 3HG2 ILE 10 HG23 ILE 10 10.412 1.625 3.606 77 1HD1 ILE 10 HD11 ILE 10 12.765 5.940 4.997 78 2HD1 ILE 10 HD12 ILE 10 12.991 4.459 4.065 79 3HD1 ILE 10 HD13 ILE 10 11.680 5.569 3.657 80 H ILE 11 HN ILE 11 8.254 1.503 5.134 81 HA ILE 11 HA ILE 11 6.827 3.589 6.621 82 HB ILE 11 HB ILE 11 5.786 2.270 4.106 83 1HG1 ILE 11 HG13 ILE 11 7.250 4.906 4.443 84 2HG1 ILE 11 HG12 ILE 11 7.792 3.510 3.516 85 1HG2 ILE 11 HG21 ILE 11 4.144 3.997 4.119 86 2HG2 ILE 11 HG22 ILE 11 4.140 3.227 5.713 87 3HG2 ILE 11 HG23 ILE 11 4.914 4.804 5.483 88 1HD1 ILE 11 HD11 ILE 11 5.220 4.806 2.818 89 2HD1 ILE 11 HD12 ILE 11 6.745 5.545 2.325 90 3HD1 ILE 11 HD13 ILE 11 6.346 3.906 1.811 91 H ARG 12 HN ARG 12 4.824 1.272 5.064 92 HA ARG 12 HA ARG 12 4.505 -0.286 7.550 93 1HB ARG 12 HB2 ARG 12 2.558 1.549 6.291 94 2HB ARG 12 HB3 ARG 12 1.920 -0.013 6.768 95 1HG ARG 12 HG3 ARG 12 1.510 1.371 8.611 96 2HG ARG 12 HG2 ARG 12 2.962 0.486 9.068 97 1HD ARG 12 HD3 ARG 12 4.351 2.354 8.463 98 2HD ARG 12 HD2 ARG 12 2.952 3.230 7.854 99 HE ARG 12 HE ARG 12 2.451 2.581 10.532 100 1HH1 ARG 12 HH11 ARG 12 5.450 4.409 9.554 101 2HH1 ARG 12 HH12 ARG 12 4.238 5.466 8.883 102 1HH2 ARG 12 HH22 ARG 12 3.627 4.207 12.389 103 2HH2 ARG 12 HH21 ARG 12 2.636 5.439 11.652 104 H HIS 13 HN HIS 13 3.017 -2.104 7.282 105 HA HIS 13 HA HIS 13 2.524 -3.085 4.608 106 1HB HIS 13 HB2 HIS 13 3.791 -5.096 4.758 107 2HB HIS 13 HB3 HIS 13 4.888 -3.770 5.102 108 HD1 HIS 13 HD1 HIS 13 5.345 -3.394 7.806 109 HD2 HIS 13 HD2 HIS 13 3.907 -7.099 6.579 110 HE1 HIS 13 HE1 HIS 13 5.822 -4.967 9.688 111 HE2 HIS 13 HE2 HIS 13 4.981 -7.229 8.910 112 H ASP 14 HN ASP 14 0.602 -4.041 4.622 113 HA ASP 14 HA ASP 14 -0.171 -5.736 6.809 114 1HB ASP 14 HB3 ASP 14 -0.716 -3.299 7.488 115 2HB ASP 14 HB2 ASP 14 -2.039 -3.411 6.333 116 H ALA 15 HN ALA 15 -1.794 -7.172 6.266 117 HA ALA 15 HA ALA 15 -2.409 -7.332 3.423 118 1HB ALA 15 HB1 ALA 15 -1.544 -9.272 4.766 119 2HB ALA 15 HB2 ALA 15 -3.111 -9.315 5.587 120 3HB ALA 15 HB3 ALA 15 -3.013 -9.598 3.846 121 H PHE 16 HN PHE 16 -4.276 -6.722 2.586 122 HA PHE 16 HA PHE 16 -6.621 -6.531 4.352 123 1HB PHE 16 HB2 PHE 16 -5.831 -4.629 2.126 124 2HB PHE 16 HB3 PHE 16 -7.379 -4.595 2.972 125 HD1 PHE 16 HD1 PHE 16 -7.168 -4.538 5.595 126 HD2 PHE 16 HD2 PHE 16 -4.205 -3.216 2.886 127 HE1 PHE 16 HE1 PHE 16 -6.231 -3.078 7.344 128 HE2 PHE 16 HE2 PHE 16 -3.262 -1.739 4.611 129 HZ PHE 16 HZ PHE 16 -4.289 -1.649 6.855 130 H GLN 17 HN GLN 17 -8.694 -6.524 3.031 131 HA GLN 17 HA GLN 17 -8.515 -8.000 0.549 132 1HB GLN 17 HB3 GLN 17 -10.326 -9.551 1.372 133 2HB GLN 17 HB2 GLN 17 -8.749 -9.812 2.093 134 1HG GLN 17 HG3 GLN 17 -9.434 -8.567 4.052 135 2HG GLN 17 HG2 GLN 17 -11.024 -8.307 3.331 136 1HE2 GLN 17 HE21 GLN 17 -12.514 -9.678 3.889 137 2HE2 GLN 17 HE22 GLN 17 -12.305 -11.360 4.173 138 H VAL 18 HN VAL 18 -9.073 -5.951 -0.248 139 HA VAL 18 HA VAL 18 -11.916 -5.354 -0.017 140 HB VAL 18 HB VAL 18 -11.105 -2.890 -0.233 141 1HG1 VAL 18 HG21 VAL 18 -11.682 -4.646 2.025 142 2HG1 VAL 18 HG22 VAL 18 -10.750 -3.214 2.457 143 3HG1 VAL 18 HG23 VAL 18 -12.300 -3.040 1.643 144 1HG2 VAL 18 HG11 VAL 18 -8.810 -3.017 -0.373 145 2HG2 VAL 18 HG12 VAL 18 -9.035 -2.731 1.352 146 3HG2 VAL 18 HG13 VAL 18 -8.708 -4.360 0.765 147 H TRP 19 HN TRP 19 -12.864 -4.299 -1.605 148 HA TRP 19 HA TRP 19 -12.633 -5.018 -4.184 149 1HB TRP 19 HB2 TRP 19 -13.482 -2.236 -3.450 150 2HB TRP 19 HB3 TRP 19 -14.192 -3.325 -4.637 151 HD1 TRP 19 HD1 TRP 19 -15.847 -5.239 -3.736 152 HE1 TRP 19 HE1 TRP 19 -17.174 -5.453 -1.557 153 HE3 TRP 19 HE3 TRP 19 -13.354 -1.766 -0.870 154 HZ2 TRP 19 HZ2 TRP 19 -17.172 -4.338 1.007 155 HZ3 TRP 19 HZ3 TRP 19 -14.099 -1.404 1.423 156 HH2 TRP 19 HH2 TRP 19 -15.959 -2.665 2.358 157 H GLU 20 HN GLU 20 -11.189 -4.786 -5.694 158 HA GLU 20 HA GLU 20 -9.312 -2.547 -5.578 159 1HB GLU 20 HB2 GLU 20 -8.698 -5.044 -5.945 160 2HB GLU 20 HB3 GLU 20 -9.113 -4.708 -7.623 161 1HG GLU 20 HG2 GLU 20 -7.458 -2.924 -7.684 162 2HG GLU 20 HG3 GLU 20 -7.049 -3.239 -5.995 163 H GLY 21 HN GLY 21 -11.994 -2.087 -6.330 164 1HA GLY 21 HA2 GLY 21 -12.680 -0.330 -7.824 165 2HA GLY 21 HA1 GLY 21 -11.507 -0.916 -9.004 166 H ASP 22 HN ASP 22 -12.424 -1.971 -10.666 167 HA ASP 22 HA ASP 22 -15.112 -3.058 -10.359 168 1HB ASP 22 HB2 ASP 22 -15.228 -3.185 -12.711 169 2HB ASP 22 HB3 ASP 22 -14.300 -1.723 -12.398 170 H GLU 23 HN GLU 23 -12.298 -4.104 -9.457 171 HA GLU 23 HA GLU 23 -12.502 -6.869 -10.418 172 1HB GLU 23 HB2 GLU 23 -10.417 -5.414 -8.773 173 2HB GLU 23 HB3 GLU 23 -10.368 -7.141 -9.092 174 1HG GLU 23 HG2 GLU 23 -10.319 -5.018 -11.212 175 2HG GLU 23 HG3 GLU 23 -8.905 -5.838 -10.557 176 HA PRO 24 HA PRO 24 -14.916 -8.079 -6.859 177 1HB PRO 24 HB3 PRO 24 -13.380 -10.605 -7.132 178 2HB PRO 24 HB2 PRO 24 -15.124 -10.352 -7.082 179 1HG PRO 24 HG2 PRO 24 -13.840 -10.930 -9.357 180 2HG PRO 24 HG3 PRO 24 -15.235 -9.830 -9.334 181 1HD PRO 24 HD2 PRO 24 -12.341 -9.260 -9.601 182 2HD PRO 24 HD3 PRO 24 -13.717 -8.389 -10.310 183 HA PRO 25 HA PRO 25 -12.145 -7.418 -3.429 184 1HB PRO 25 HB3 PRO 25 -13.557 -8.791 -1.508 185 2HB PRO 25 HB2 PRO 25 -13.831 -7.109 -1.957 186 1HG PRO 25 HG2 PRO 25 -15.278 -9.567 -2.800 187 2HG PRO 25 HG3 PRO 25 -15.942 -7.957 -2.453 188 1HD PRO 25 HD3 PRO 25 -15.619 -8.812 -4.974 189 2HD PRO 25 HD2 PRO 25 -15.336 -7.113 -4.536 190 H LYS 26 HN LYS 26 -10.393 -8.425 -2.754 191 HA LYS 26 HA LYS 26 -10.338 -11.263 -2.293 192 1HB LYS 26 HB3 LYS 26 -8.733 -10.012 -4.540 193 2HB LYS 26 HB2 LYS 26 -8.326 -11.549 -3.803 194 1HG LYS 26 HG2 LYS 26 -10.400 -12.534 -4.540 195 2HG LYS 26 HG3 LYS 26 -10.905 -10.999 -5.262 196 1HD LYS 26 HD2 LYS 26 -8.444 -12.591 -6.026 197 2HD LYS 26 HD3 LYS 26 -9.957 -12.541 -6.932 198 1HE LYS 26 HE2 LYS 26 -9.666 -10.271 -7.480 199 2HE LYS 26 HE3 LYS 26 -8.360 -10.062 -6.306 200 1HZ LYS 26 HZ1 LYS 26 -7.906 -12.108 -8.303 201 2HZ LYS 26 HZ2 LYS 26 -6.849 -10.912 -7.699 202 3HZ LYS 26 HZ3 LYS 26 -7.992 -10.527 -8.888 203 H LEU 27 HN LEU 27 -8.057 -11.905 -1.648 204 HA LEU 27 HA LEU 27 -7.183 -10.031 0.344 205 1HB LEU 27 HB3 LEU 27 -7.333 -12.585 0.494 206 2HB LEU 27 HB2 LEU 27 -5.810 -12.615 -0.383 207 HG LEU 27 HG LEU 27 -6.129 -11.108 2.219 208 1HD1 LEU 27 HD11 LEU 27 -6.281 -13.039 3.323 209 2HD1 LEU 27 HD12 LEU 27 -6.282 -13.943 1.807 210 3HD1 LEU 27 HD13 LEU 27 -4.756 -13.548 2.597 211 1HD2 LEU 27 HD21 LEU 27 -3.620 -12.447 1.322 212 2HD2 LEU 27 HD22 LEU 27 -4.107 -10.984 0.459 213 3HD2 LEU 27 HD23 LEU 27 -3.829 -10.934 2.210 214 H ARG 28 HN ARG 28 -5.421 -8.768 0.368 215 HA ARG 28 HA ARG 28 -3.299 -9.194 -1.532 216 1HB ARG 28 HB2 ARG 28 -3.278 -6.917 -2.436 217 2HB ARG 28 HB3 ARG 28 -4.761 -7.750 -2.862 218 1HG ARG 28 HG2 ARG 28 -4.699 -5.945 -0.488 219 2HG ARG 28 HG3 ARG 28 -4.874 -5.288 -2.113 220 1HD ARG 28 HD2 ARG 28 -6.696 -7.237 -0.692 221 2HD ARG 28 HD3 ARG 28 -7.073 -5.591 -1.209 222 HE ARG 28 HE ARG 28 -7.196 -7.975 -2.777 223 1HH1 ARG 28 HH12 ARG 28 -8.298 -4.700 -3.390 224 2HH1 ARG 28 HH11 ARG 28 -6.756 -4.311 -4.095 225 1HH2 ARG 28 HH22 ARG 28 -7.076 -7.879 -5.097 226 2HH2 ARG 28 HH21 ARG 28 -7.698 -6.405 -5.766 227 H TYR 29 HN TYR 29 -1.443 -8.792 -0.688 228 HA TYR 29 HA TYR 29 -1.330 -7.672 1.992 229 1HB TYR 29 HB3 TYR 29 0.907 -8.804 0.297 230 2HB TYR 29 HB2 TYR 29 0.999 -8.401 2.005 231 HD1 TYR 29 HD1 TYR 29 -0.725 -10.666 -0.413 232 HD2 TYR 29 HD2 TYR 29 0.515 -10.020 3.601 233 HE1 TYR 29 HE1 TYR 29 -1.336 -12.961 0.141 234 HE2 TYR 29 HE2 TYR 29 -0.158 -12.316 4.182 235 HH TYR 29 HH TYR 29 -1.017 -14.180 3.461 236 H VAL 30 HN VAL 30 -1.447 -5.530 2.013 237 HA VAL 30 HA VAL 30 -0.242 -3.962 -0.072 238 HB VAL 30 HB VAL 30 -1.531 -2.979 2.483 239 1HG1 VAL 30 HG21 VAL 30 -1.771 -0.859 1.360 240 2HG1 VAL 30 HG22 VAL 30 -0.074 -1.340 1.296 241 3HG1 VAL 30 HG23 VAL 30 -1.100 -1.534 -0.131 242 1HG2 VAL 30 HG11 VAL 30 -3.325 -3.966 1.588 243 2HG2 VAL 30 HG12 VAL 30 -3.376 -2.505 0.610 244 3HG2 VAL 30 HG13 VAL 30 -2.663 -3.976 -0.052 245 H PHE 31 HN PHE 31 1.860 -3.586 -0.091 246 HA PHE 31 HA PHE 31 3.283 -3.205 2.473 247 1HB PHE 31 HB2 PHE 31 4.346 -4.255 -0.173 248 2HB PHE 31 HB3 PHE 31 5.306 -3.998 1.284 249 HD1 PHE 31 HD1 PHE 31 4.001 -5.173 3.411 250 HD2 PHE 31 HD2 PHE 31 3.992 -6.463 -0.634 251 HE1 PHE 31 HE1 PHE 31 3.590 -7.466 4.174 252 HE2 PHE 31 HE2 PHE 31 3.558 -8.777 0.098 253 HZ PHE 31 HZ PHE 31 3.374 -9.294 2.512 254 H LEU 32 HN LEU 32 4.038 -1.081 2.753 255 HA LEU 32 HA LEU 32 4.420 0.442 0.258 256 1HB LEU 32 HB2 LEU 32 4.242 1.983 2.779 257 2HB LEU 32 HB3 LEU 32 3.612 2.318 1.172 258 HG LEU 32 HG LEU 32 2.324 0.394 3.113 259 1HD1 LEU 32 HD11 LEU 32 1.210 2.100 4.023 260 2HD1 LEU 32 HD12 LEU 32 2.509 3.099 3.381 261 3HD1 LEU 32 HD13 LEU 32 0.998 2.939 2.475 262 1HD2 LEU 32 HD21 LEU 32 1.141 1.712 0.695 263 2HD2 LEU 32 HD22 LEU 32 1.964 0.152 0.573 264 3HD2 LEU 32 HD23 LEU 32 0.525 0.313 1.592 265 H PHE 33 HN PHE 33 6.510 0.759 -0.233 266 HA PHE 33 HA PHE 33 8.418 1.265 1.945 267 1HB PHE 33 HB3 PHE 33 8.983 -0.535 -0.432 268 2HB PHE 33 HB2 PHE 33 10.169 -0.038 0.770 269 HD1 PHE 33 HD1 PHE 33 6.936 -1.871 0.444 270 HD2 PHE 33 HD2 PHE 33 10.554 -1.328 2.654 271 HE1 PHE 33 HE1 PHE 33 6.361 -3.803 1.879 272 HE2 PHE 33 HE2 PHE 33 10.013 -3.269 4.058 273 HZ PHE 33 HZ PHE 33 7.913 -4.488 3.687 274 H ARG 34 HN ARG 34 8.868 3.316 1.647 275 HA ARG 34 HA ARG 34 9.597 5.267 0.751 276 1HB ARG 34 HB2 ARG 34 10.472 3.440 -1.490 277 2HB ARG 34 HB3 ARG 34 10.715 5.186 -1.549 278 1HG ARG 34 HG2 ARG 34 11.947 5.041 0.574 279 2HG ARG 34 HG3 ARG 34 11.802 3.275 0.520 280 1HD ARG 34 HD2 ARG 34 13.145 3.144 -1.431 281 2HD ARG 34 HD3 ARG 34 13.074 4.897 -1.697 282 HE ARG 34 HE ARG 34 14.877 3.469 0.037 283 1HH1 ARG 34 HH11 ARG 34 13.574 6.615 -0.821 284 2HH1 ARG 34 HH12 ARG 34 14.941 7.410 -0.098 285 1HH2 ARG 34 HH21 ARG 34 16.623 4.988 0.914 286 2HH2 ARG 34 HH22 ARG 34 15.784 6.076 1.996 287 H ASN 35 HN ASN 35 9.406 5.943 -2.138 288 HA ASN 35 HA ASN 35 6.655 6.746 -2.133 289 1HB ASN 35 HB2 ASN 35 9.064 7.312 -3.713 290 2HB ASN 35 HB3 ASN 35 7.568 7.396 -4.646 291 1HD2 ASN 35 HD21 ASN 35 6.723 9.337 -4.723 292 2HD2 ASN 35 HD22 ASN 35 6.878 10.593 -3.535 293 H LYS 36 HN LYS 36 5.903 4.378 -2.091 294 HA LYS 36 HA LYS 36 4.707 3.712 -4.509 295 1HB LYS 36 HB3 LYS 36 5.836 1.764 -5.287 296 2HB LYS 36 HB2 LYS 36 7.029 3.047 -5.184 297 1HG LYS 36 HG2 LYS 36 8.073 2.116 -3.352 298 2HG LYS 36 HG3 LYS 36 6.716 1.063 -2.957 299 1HD LYS 36 HD3 LYS 36 8.466 -0.299 -3.979 300 2HD LYS 36 HD2 LYS 36 7.135 -0.142 -5.138 301 1HE LYS 36 HE2 LYS 36 8.313 1.611 -6.285 302 2HE LYS 36 HE3 LYS 36 9.620 1.552 -5.102 303 1HZ LYS 36 HZ1 LYS 36 9.133 -1.037 -6.155 304 2HZ LYS 36 HZ2 LYS 36 10.551 -0.117 -6.252 305 3HZ LYS 36 HZ3 LYS 36 9.356 0.036 -7.449 306 H ILE 37 HN ILE 37 3.684 1.603 -4.485 307 HA ILE 37 HA ILE 37 3.343 0.388 -1.808 308 HB ILE 37 HB ILE 37 1.065 0.902 -3.746 309 1HG1 ILE 37 HG13 ILE 37 1.593 2.166 -1.054 310 2HG1 ILE 37 HG12 ILE 37 1.845 2.961 -2.602 311 1HG2 ILE 37 HG21 ILE 37 0.777 -1.179 -2.483 312 2HG2 ILE 37 HG22 ILE 37 0.953 -0.311 -0.965 313 3HG2 ILE 37 HG23 ILE 37 -0.434 0.013 -2.016 314 1HD1 ILE 37 HD11 ILE 37 -0.835 1.856 -2.266 315 2HD1 ILE 37 HD12 ILE 37 -0.443 3.119 -1.105 316 3HD1 ILE 37 HD13 ILE 37 -0.341 3.444 -2.837 317 H MET 38 HN MET 38 4.477 -1.426 -2.235 318 HA MET 38 HA MET 38 4.120 -2.833 -4.770 319 1HB MET 38 HB2 MET 38 6.371 -2.457 -3.505 320 2HB MET 38 HB3 MET 38 5.843 -3.810 -2.513 321 1HG MET 38 HG2 MET 38 5.558 -5.070 -4.692 322 2HG MET 38 HG3 MET 38 6.484 -3.760 -5.425 323 1HE MET 38 HE1 MET 38 8.346 -7.235 -4.867 324 2HE MET 38 HE2 MET 38 7.107 -6.413 -5.814 325 3HE MET 38 HE3 MET 38 8.810 -5.944 -5.970 326 H PHE 39 HN PHE 39 1.811 -2.861 -3.420 327 HA PHE 39 HA PHE 39 1.426 -5.011 -1.671 328 1HB PHE 39 HB2 PHE 39 -0.943 -4.739 -2.055 329 2HB PHE 39 HB3 PHE 39 -0.183 -3.176 -1.851 330 HD1 PHE 39 HD1 PHE 39 -2.888 -3.575 -2.894 331 HD2 PHE 39 HD2 PHE 39 0.850 -3.378 -4.944 332 HE1 PHE 39 HE1 PHE 39 -4.035 -2.759 -4.909 333 HE2 PHE 39 HE2 PHE 39 -0.286 -2.549 -6.959 334 HZ PHE 39 HZ PHE 39 -2.729 -2.258 -6.965 335 H THR 40 HN THR 40 1.150 -7.127 -1.890 336 HA THR 40 HA THR 40 1.277 -8.254 -4.582 337 HB THR 40 HB THR 40 1.553 -10.430 -3.246 338 HG1 THR 40 HG1 THR 40 0.714 -9.425 -1.316 339 1HG2 THR 40 HG21 THR 40 3.457 -8.730 -4.080 340 2HG2 THR 40 HG22 THR 40 3.802 -10.237 -3.239 341 3HG2 THR 40 HG23 THR 40 3.770 -8.717 -2.346 342 H GLU 41 HN GLU 41 -0.559 -8.667 -5.535 343 HA GLU 41 HA GLU 41 -3.044 -8.844 -4.168 344 1HB GLU 41 HB3 GLU 41 -2.179 -8.341 -6.765 345 2HB GLU 41 HB2 GLU 41 -3.060 -9.857 -6.896 346 1HG GLU 41 HG3 GLU 41 -4.355 -7.698 -5.365 347 2HG GLU 41 HG2 GLU 41 -4.245 -7.485 -7.106 348 H GLN 42 HN GLN 42 -4.583 -10.783 -4.805 349 HA GLN 42 HA GLN 42 -3.193 -13.337 -4.892 350 1HB GLN 42 HB3 GLN 42 -3.367 -12.694 -2.488 351 2HB GLN 42 HB2 GLN 42 -5.116 -12.679 -2.656 352 1HG GLN 42 HG2 GLN 42 -4.553 -14.737 -1.678 353 2HG GLN 42 HG3 GLN 42 -4.996 -15.057 -3.348 354 1HE2 GLN 42 HE21 GLN 42 -2.053 -13.604 -3.325 355 2HE2 GLN 42 HE22 GLN 42 -1.009 -14.941 -3.055 356 H ASP 43 HN ASP 43 -4.674 -15.140 -5.243 357 HA ASP 43 HA ASP 43 -7.139 -14.249 -6.606 358 1HB ASP 43 HB3 ASP 43 -5.521 -15.044 -8.241 359 2HB ASP 43 HB2 ASP 43 -5.309 -16.547 -7.347 360 H ALA 44 HN ALA 44 -8.479 -14.594 -4.923 361 HA ALA 44 HA ALA 44 -9.880 -15.671 -3.520 362 1HB ALA 44 HB1 ALA 44 -9.305 -18.307 -4.797 363 2HB ALA 44 HB2 ALA 44 -10.833 -17.654 -4.198 364 3HB ALA 44 HB3 ALA 44 -10.142 -17.047 -5.705 365 H SER 45 HN SER 45 -6.869 -15.724 -3.115 366 HA SER 45 HA SER 45 -5.414 -16.334 -1.503 367 1HB SER 45 HB3 SER 45 -7.799 -17.455 -0.028 368 2HB SER 45 HB2 SER 45 -6.249 -16.975 0.673 369 HG SER 45 HG SER 45 -7.938 -15.371 0.888 370 H THR 46 HN THR 46 -3.999 -17.834 -2.015 371 HA THR 46 HA THR 46 -3.026 -19.782 -2.530 372 HB THR 46 HB THR 46 -3.534 -21.680 -0.945 373 HG1 THR 46 HG1 THR 46 -4.926 -21.318 0.727 374 1HG2 THR 46 HG21 THR 46 -2.984 -18.984 0.222 375 2HG2 THR 46 HG22 THR 46 -1.841 -20.234 -0.255 376 3HG2 THR 46 HG23 THR 46 -2.892 -20.490 1.137 377 H SER 47 HN SER 47 -4.426 -19.484 -4.590 378 HA SER 47 HA SER 47 -5.946 -22.015 -4.957 379 1HB SER 47 HB3 SER 47 -6.261 -19.485 -6.599 380 2HB SER 47 HB2 SER 47 -7.282 -20.925 -6.673 381 HG SER 47 HG SER 47 -7.480 -18.800 -5.054 382 HA PRO 48 HA PRO 48 -3.288 -23.579 -8.121 383 1HB PRO 48 HB2 PRO 48 -5.339 -22.914 -10.183 384 2HB PRO 48 HB3 PRO 48 -4.393 -24.396 -9.960 385 1HG PRO 48 HG3 PRO 48 -6.930 -24.324 -9.123 386 2HG PRO 48 HG2 PRO 48 -5.681 -25.071 -8.106 387 1HD PRO 48 HD3 PRO 48 -6.990 -22.399 -7.814 388 2HD PRO 48 HD2 PRO 48 -6.491 -23.544 -6.555 389 HA PRO 49 HA PRO 49 -2.579 -19.929 -11.130 390 1HB PRO 49 HB2 PRO 49 -4.585 -17.840 -10.736 391 2HB PRO 49 HB3 PRO 49 -4.188 -18.737 -12.206 392 1HG PRO 49 HG3 PRO 49 -6.545 -19.064 -10.871 393 2HG PRO 49 HG2 PRO 49 -5.746 -20.349 -11.806 394 1HD PRO 49 HD2 PRO 49 -5.702 -19.913 -8.836 395 2HD PRO 49 HD3 PRO 49 -5.926 -21.419 -9.751 396 H SER 50 HN SER 50 -4.335 -17.990 -8.724 397 HA SER 50 HA SER 50 -3.704 -16.497 -7.147 398 1HB SER 50 HB2 SER 50 -1.133 -18.099 -7.137 399 2HB SER 50 HB3 SER 50 -1.596 -16.899 -5.930 400 HG SER 50 HG SER 50 -2.706 -19.428 -6.423 401 H TYR 51 HN TYR 51 -1.950 -14.779 -6.603 402 HA TYR 51 HA TYR 51 -0.983 -13.723 -9.167 403 1HB TYR 51 HB3 TYR 51 -2.100 -12.350 -6.738 404 2HB TYR 51 HB2 TYR 51 -1.020 -11.494 -7.835 405 HD1 TYR 51 HD1 TYR 51 -4.090 -13.653 -8.003 406 HD2 TYR 51 HD2 TYR 51 -2.039 -10.235 -9.486 407 HE1 TYR 51 HE1 TYR 51 -5.993 -13.156 -9.442 408 HE2 TYR 51 HE2 TYR 51 -3.912 -9.743 -10.968 409 HH TYR 51 HH TYR 51 -6.695 -10.410 -10.747 410 H THR 52 HN THR 52 1.129 -13.612 -9.447 411 HA THR 52 HA THR 52 2.892 -13.715 -7.085 412 HB THR 52 HB THR 52 4.588 -14.557 -8.668 413 HG1 THR 52 HG1 THR 52 3.338 -13.478 -10.496 414 1HG2 THR 52 HG21 THR 52 2.114 -16.195 -9.066 415 2HG2 THR 52 HG22 THR 52 2.952 -16.111 -7.515 416 3HG2 THR 52 HG23 THR 52 3.791 -16.739 -8.936 417 H HIS 53 HN HIS 53 3.111 -11.651 -6.522 418 HA HIS 53 HA HIS 53 3.905 -9.528 -6.536 419 1HB HIS 53 HB2 HIS 53 5.182 -10.225 -9.183 420 2HB HIS 53 HB3 HIS 53 5.586 -8.857 -8.160 421 HD1 HIS 53 HD1 HIS 53 6.289 -9.845 -5.551 422 HD2 HIS 53 HD2 HIS 53 7.074 -12.114 -8.947 423 HE1 HIS 53 HE1 HIS 53 8.109 -11.432 -4.907 424 HE2 HIS 53 HE2 HIS 53 8.647 -12.696 -7.010 425 H TYR 54 HN TYR 54 4.038 -9.288 -9.949 426 HA TYR 54 HA TYR 54 2.844 -8.209 -11.534 427 1HB TYR 54 HB3 TYR 54 0.742 -9.527 -9.898 428 2HB TYR 54 HB2 TYR 54 0.210 -8.250 -10.980 429 HD1 TYR 54 HD1 TYR 54 2.805 -10.926 -11.383 430 HD2 TYR 54 HD2 TYR 54 -0.851 -9.248 -12.794 431 HE1 TYR 54 HE1 TYR 54 2.785 -12.521 -13.221 432 HE2 TYR 54 HE2 TYR 54 -0.823 -10.794 -14.708 433 HH TYR 54 HH TYR 54 1.229 -12.175 -15.945 434 H SER 55 HN SER 55 0.557 -7.448 -9.051 435 HA SER 55 HA SER 55 0.056 -4.868 -9.768 436 1HB SER 55 HB3 SER 55 -0.070 -5.958 -6.955 437 2HB SER 55 HB2 SER 55 -1.028 -4.630 -7.612 438 HG SER 55 HG SER 55 -2.377 -6.036 -8.278 439 H SER 56 HN SER 56 0.880 -2.898 -9.433 440 HA SER 56 HA SER 56 2.819 -2.350 -7.380 441 1HB SER 56 HB3 SER 56 4.432 -1.386 -9.089 442 2HB SER 56 HB2 SER 56 4.372 -3.144 -8.975 443 HG SER 56 HG SER 56 2.632 -2.730 -10.756 444 H ILE 57 HN ILE 57 2.645 -0.278 -6.693 445 HA ILE 57 HA ILE 57 1.124 1.651 -8.359 446 HB ILE 57 HB ILE 57 1.049 1.189 -5.378 447 1HG1 ILE 57 HG12 ILE 57 -0.453 -0.212 -6.767 448 2HG1 ILE 57 HG13 ILE 57 -1.347 0.838 -5.667 449 1HG2 ILE 57 HG21 ILE 57 -0.009 3.192 -4.930 450 2HG2 ILE 57 HG22 ILE 57 1.131 3.675 -6.182 451 3HG2 ILE 57 HG23 ILE 57 -0.559 3.391 -6.595 452 1HD1 ILE 57 HD11 ILE 57 -0.867 1.616 -8.533 453 2HD1 ILE 57 HD12 ILE 57 -2.275 0.674 -8.030 454 3HD1 ILE 57 HD13 ILE 57 -2.020 2.297 -7.378 455 H ARG 58 HN ARG 58 1.673 3.894 -7.965 456 HA ARG 58 HA ARG 58 4.411 4.304 -6.956 457 1HB ARG 58 HB2 ARG 58 4.882 5.839 -8.674 458 2HB ARG 58 HB3 ARG 58 4.176 4.443 -9.467 459 1HG ARG 58 HG2 ARG 58 2.558 6.864 -8.749 460 2HG ARG 58 HG3 ARG 58 3.405 6.712 -10.283 461 1HD ARG 58 HD2 ARG 58 1.314 4.803 -9.260 462 2HD ARG 58 HD3 ARG 58 1.018 6.081 -10.437 463 HE ARG 58 HE ARG 58 2.090 3.519 -10.945 464 1HH1 ARG 58 HH11 ARG 58 3.932 6.385 -12.123 465 2HH1 ARG 58 HH12 ARG 58 2.577 6.720 -13.167 466 1HH2 ARG 58 HH21 ARG 58 3.751 3.472 -13.200 467 2HH2 ARG 58 HH22 ARG 58 2.276 3.883 -14.026 468 H LEU 59 HN LEU 59 4.759 6.054 -5.652 469 HA LEU 59 HA LEU 59 2.340 7.419 -4.751 470 1HB LEU 59 HB2 LEU 59 4.928 6.752 -3.541 471 2HB LEU 59 HB3 LEU 59 4.295 8.333 -3.107 472 HG LEU 59 HG LEU 59 2.297 7.335 -2.190 473 1HD1 LEU 59 HD11 LEU 59 2.942 4.561 -2.285 474 2HD1 LEU 59 HD12 LEU 59 1.505 5.378 -2.911 475 3HD1 LEU 59 HD13 LEU 59 2.938 5.203 -3.921 476 1HD2 LEU 59 HD21 LEU 59 4.808 5.919 -1.302 477 2HD2 LEU 59 HD22 LEU 59 4.116 7.408 -0.685 478 3HD2 LEU 59 HD23 LEU 59 3.276 5.892 -0.414 479 H ASP 60 HN ASP 60 5.107 8.036 -6.703 480 HA ASP 60 HA ASP 60 5.367 10.814 -6.217 481 1HB ASP 60 HB3 ASP 60 7.075 9.271 -7.323 482 2HB ASP 60 HB2 ASP 60 6.050 9.342 -8.755 483 H LYS 61 HN LYS 61 3.334 8.913 -8.341 484 HA LYS 61 HA LYS 61 1.901 11.375 -8.975 485 1HB LYS 61 HB2 LYS 61 2.843 9.354 -10.985 486 2HB LYS 61 HB3 LYS 61 1.590 10.531 -11.355 487 1HG LYS 61 HG3 LYS 61 3.229 12.326 -10.762 488 2HG LYS 61 HG2 LYS 61 4.460 11.066 -10.668 489 1HD LYS 61 HD3 LYS 61 3.955 10.410 -12.995 490 2HD LYS 61 HD2 LYS 61 2.825 11.763 -13.079 491 1HE LYS 61 HE3 LYS 61 4.608 13.344 -12.724 492 2HE LYS 61 HE2 LYS 61 5.739 12.015 -12.482 493 1HZ LYS 61 HZ1 LYS 61 5.423 11.319 -14.747 494 2HZ LYS 61 HZ2 LYS 61 5.936 12.935 -14.694 495 3HZ LYS 61 HZ3 LYS 61 4.311 12.580 -15.015 496 H TYR 62 HN TYR 62 0.602 10.304 -7.218 497 HA TYR 62 HA TYR 62 -1.515 8.853 -8.553 498 1HB TYR 62 HB3 TYR 62 -1.613 7.005 -7.213 499 2HB TYR 62 HB2 TYR 62 0.119 7.309 -7.186 500 HD1 TYR 62 HD1 TYR 62 -2.705 6.736 -5.171 501 HD2 TYR 62 HD2 TYR 62 1.020 8.780 -5.242 502 HE1 TYR 62 HE1 TYR 62 -2.712 6.821 -2.716 503 HE2 TYR 62 HE2 TYR 62 1.042 8.871 -2.786 504 HH TYR 62 HH TYR 62 -0.563 8.751 -0.894 505 H ASN 63 HN ASN 63 -3.596 9.083 -7.526 506 HA ASN 63 HA ASN 63 -3.754 11.493 -5.868 507 1HB ASN 63 HB3 ASN 63 -5.018 11.455 -8.024 508 2HB ASN 63 HB2 ASN 63 -5.892 10.037 -7.451 509 1HD2 ASN 63 HD21 ASN 63 -6.266 13.151 -7.959 510 2HD2 ASN 63 HD22 ASN 63 -7.609 13.389 -6.912 511 H ILE 64 HN ILE 64 -4.359 11.294 -3.786 512 HA ILE 64 HA ILE 64 -5.533 8.731 -2.931 513 HB ILE 64 HB ILE 64 -3.176 8.754 -2.322 514 1HG1 ILE 64 HG12 ILE 64 -3.485 8.570 0.212 515 2HG1 ILE 64 HG13 ILE 64 -5.180 8.940 -0.070 516 1HG2 ILE 64 HG21 ILE 64 -2.885 10.585 -0.267 517 2HG2 ILE 64 HG22 ILE 64 -2.221 10.694 -1.893 518 3HG2 ILE 64 HG23 ILE 64 -3.749 11.479 -1.514 519 1HD1 ILE 64 HD11 ILE 64 -3.699 6.476 -0.490 520 2HD1 ILE 64 HD12 ILE 64 -5.427 6.729 -0.286 521 3HD1 ILE 64 HD13 ILE 64 -4.693 6.923 -1.872 522 H ARG 65 HN ARG 65 -7.194 8.802 -1.572 523 HA ARG 65 HA ARG 65 -7.900 11.374 -0.312 524 1HB ARG 65 HB3 ARG 65 -9.836 9.513 -1.710 525 2HB ARG 65 HB2 ARG 65 -10.272 10.972 -0.832 526 1HG ARG 65 HG2 ARG 65 -8.590 10.863 -3.304 527 2HG ARG 65 HG3 ARG 65 -10.297 11.311 -3.243 528 1HD ARG 65 HD3 ARG 65 -9.825 13.299 -2.022 529 2HD ARG 65 HD2 ARG 65 -8.192 12.759 -1.657 530 HE ARG 65 HE ARG 65 -8.489 12.992 -4.463 531 1HH1 ARG 65 HH11 ARG 65 -7.281 15.084 -1.678 532 2HH1 ARG 65 HH12 ARG 65 -8.644 16.036 -2.205 533 1HH2 ARG 65 HH22 ARG 65 -8.134 15.858 -5.212 534 2HH2 ARG 65 HH21 ARG 65 -6.535 15.238 -4.895 535 H GLN 66 HN GLN 66 -9.375 11.186 1.453 536 HA GLN 66 HA GLN 66 -9.426 8.571 2.852 537 1HB GLN 66 HB2 GLN 66 -7.461 9.733 3.647 538 2HB GLN 66 HB3 GLN 66 -8.381 11.213 3.884 539 1HG GLN 66 HG2 GLN 66 -9.625 10.176 5.688 540 2HG GLN 66 HG3 GLN 66 -8.777 8.644 5.407 541 1HE2 GLN 66 HE21 GLN 66 -8.790 11.418 7.206 542 2HE2 GLN 66 HE22 GLN 66 -7.122 11.534 7.634 543 H HIS 67 HN HIS 67 -11.511 8.183 3.434 544 HA HIS 67 HA HIS 67 -13.289 10.495 3.755 545 1HB HIS 67 HB3 HIS 67 -13.875 7.576 3.224 546 2HB HIS 67 HB2 HIS 67 -15.117 8.798 3.476 547 HD1 HIS 67 HD1 HIS 67 -14.981 10.860 1.631 548 HD2 HIS 67 HD2 HIS 67 -13.206 7.217 0.642 549 HE1 HIS 67 HE1 HIS 67 -14.736 10.872 -0.891 550 HE2 HIS 67 HE2 HIS 67 -13.853 8.572 -1.464 551 H THR 68 HN THR 68 -12.798 11.012 5.901 552 HA THR 68 HA THR 68 -12.975 8.967 7.929 553 HB THR 68 HB THR 68 -12.736 11.122 9.409 554 HG1 THR 68 HG1 THR 68 -11.364 12.306 7.363 555 1HG2 THR 68 HG21 THR 68 -10.958 9.302 8.553 556 2HG2 THR 68 HG22 THR 68 -10.515 10.707 9.521 557 3HG2 THR 68 HG23 THR 68 -10.312 10.746 7.775 558 H THR 69 HN THR 69 -15.073 8.257 7.779 559 HA THR 69 HA THR 69 -17.005 9.848 9.227 560 HB THR 69 HB THR 69 -17.632 8.733 6.486 561 HG1 THR 69 HG1 THR 69 -16.750 11.156 7.339 562 1HG2 THR 69 HG21 THR 69 -19.773 8.852 6.975 563 2HG2 THR 69 HG22 THR 69 -19.601 10.571 7.373 564 3HG2 THR 69 HG23 THR 69 -19.382 9.333 8.627 565 H ASP 70 HN ASP 70 -16.608 8.332 10.818 566 HA ASP 70 HA ASP 70 -17.174 6.576 12.078 567 1HB ASP 70 HB3 ASP 70 -18.772 5.652 9.683 568 2HB ASP 70 HB2 ASP 70 -18.676 4.754 11.194 569 H GLU 71 HN GLU 71 -16.408 5.623 8.750 570 HA GLU 71 HA GLU 71 -14.322 3.859 9.849 571 1HB GLU 71 HB3 GLU 71 -16.430 3.105 8.250 572 2HB GLU 71 HB2 GLU 71 -15.156 3.403 7.079 573 1HG GLU 71 HG3 GLU 71 -14.837 1.584 9.453 574 2HG GLU 71 HG2 GLU 71 -15.390 1.041 7.869 575 H ASP 72 HN ASP 72 -12.309 4.557 9.393 576 HA ASP 72 HA ASP 72 -11.937 6.848 7.691 577 1HB ASP 72 HB2 ASP 72 -9.777 5.181 8.955 578 2HB ASP 72 HB3 ASP 72 -9.690 6.864 8.450 579 H THR 73 HN THR 73 -12.853 5.486 5.830 580 HA THR 73 HA THR 73 -11.192 3.497 4.661 581 HB THR 73 HB THR 73 -13.494 5.072 3.523 582 HG1 THR 73 HG1 THR 73 -13.295 2.961 5.231 583 1HG2 THR 73 HG21 THR 73 -12.510 4.213 1.589 584 2HG2 THR 73 HG22 THR 73 -13.670 2.968 2.056 585 3HG2 THR 73 HG23 THR 73 -11.966 2.753 2.415 586 H ILE 74 HN ILE 74 -9.469 3.669 3.494 587 HA ILE 74 HA ILE 74 -8.691 6.254 2.410 588 HB ILE 74 HB ILE 74 -7.103 3.703 2.753 589 1HG1 ILE 74 HG12 ILE 74 -7.515 4.779 4.882 590 2HG1 ILE 74 HG13 ILE 74 -5.832 5.042 4.428 591 1HG2 ILE 74 HG21 ILE 74 -5.988 6.372 1.945 592 2HG2 ILE 74 HG22 ILE 74 -5.191 4.791 1.913 593 3HG2 ILE 74 HG23 ILE 74 -6.495 5.149 0.791 594 1HD1 ILE 74 HD11 ILE 74 -7.590 6.970 5.268 595 2HD1 ILE 74 HD12 ILE 74 -6.103 7.246 4.358 596 3HD1 ILE 74 HD13 ILE 74 -7.642 7.143 3.506 597 H VAL 75 HN VAL 75 -8.783 6.624 0.230 598 HA VAL 75 HA VAL 75 -9.001 4.313 -1.561 599 HB VAL 75 HB VAL 75 -10.668 5.384 -2.868 600 1HG1 VAL 75 HG11 VAL 75 -11.293 5.461 0.050 601 2HG1 VAL 75 HG12 VAL 75 -12.530 5.863 -1.133 602 3HG1 VAL 75 HG13 VAL 75 -11.780 4.258 -1.142 603 1HG2 VAL 75 HG21 VAL 75 -10.483 7.818 -1.110 604 2HG2 VAL 75 HG22 VAL 75 -9.872 7.676 -2.761 605 3HG2 VAL 75 HG23 VAL 75 -11.605 7.573 -2.440 606 H LEU 76 HN LEU 76 -8.175 4.713 -3.691 607 HA LEU 76 HA LEU 76 -6.704 7.209 -4.006 608 1HB LEU 76 HB3 LEU 76 -4.721 6.088 -4.850 609 2HB LEU 76 HB2 LEU 76 -5.036 5.685 -3.170 610 HG LEU 76 HG LEU 76 -6.015 3.881 -5.330 611 1HD1 LEU 76 HD21 LEU 76 -3.958 3.592 -6.082 612 2HD1 LEU 76 HD22 LEU 76 -3.232 4.470 -4.734 613 3HD1 LEU 76 HD23 LEU 76 -3.636 2.754 -4.564 614 1HD2 LEU 76 HD11 LEU 76 -5.097 2.373 -3.256 615 2HD2 LEU 76 HD12 LEU 76 -5.685 3.822 -2.434 616 3HD2 LEU 76 HD13 LEU 76 -6.767 2.903 -3.482 617 H GLN 77 HN GLN 77 -6.648 8.007 -5.890 618 HA GLN 77 HA GLN 77 -8.019 6.577 -8.088 619 1HB GLN 77 HB2 GLN 77 -7.880 9.578 -7.750 620 2HB GLN 77 HB3 GLN 77 -8.903 8.663 -8.846 621 1HG GLN 77 HG3 GLN 77 -10.128 7.741 -6.947 622 2HG GLN 77 HG2 GLN 77 -9.151 8.715 -5.846 623 1HE2 GLN 77 HE21 GLN 77 -10.103 10.489 -5.189 624 2HE2 GLN 77 HE22 GLN 77 -11.122 11.500 -6.144 625 HA PRO 78 HA PRO 78 -4.325 7.326 -10.359 626 1HB PRO 78 HB3 PRO 78 -5.146 6.531 -12.789 627 2HB PRO 78 HB2 PRO 78 -5.013 5.411 -11.428 628 1HG PRO 78 HG2 PRO 78 -7.407 6.510 -12.741 629 2HG PRO 78 HG3 PRO 78 -7.241 5.052 -11.757 630 1HD PRO 78 HD3 PRO 78 -8.241 7.613 -10.925 631 2HD PRO 78 HD2 PRO 78 -8.102 6.122 -9.969 632 H GLN 79 HN GLN 79 -3.306 8.987 -11.347 633 HA GLN 79 HA GLN 79 -4.976 10.931 -12.777 634 1HB GLN 79 HB2 GLN 79 -3.308 12.637 -12.211 635 2HB GLN 79 HB3 GLN 79 -3.912 11.847 -10.763 636 1HG GLN 79 HG2 GLN 79 -1.903 10.446 -10.703 637 2HG GLN 79 HG3 GLN 79 -1.285 11.288 -12.125 638 1HE2 GLN 79 HE21 GLN 79 -3.083 13.264 -9.997 639 2HE2 GLN 79 HE22 GLN 79 -1.734 14.042 -9.246 640 H GLU 80 HN GLU 80 -3.139 8.410 -13.311 641 HA GLU 80 HA GLU 80 -1.990 9.462 -15.801 642 1HB GLU 80 HB3 GLU 80 -0.991 7.309 -13.955 643 2HB GLU 80 HB2 GLU 80 -0.464 7.388 -15.623 644 1HG GLU 80 HG2 GLU 80 0.283 9.757 -15.113 645 2HG GLU 80 HG3 GLU 80 0.062 9.327 -13.418 646 HA PRO 81 HA PRO 81 -5.107 6.820 -17.683 647 1HB PRO 81 HB2 PRO 81 -3.312 7.114 -20.039 648 2HB PRO 81 HB3 PRO 81 -5.053 7.435 -19.907 649 1HG PRO 81 HG2 PRO 81 -3.301 9.436 -20.016 650 2HG PRO 81 HG3 PRO 81 -4.679 9.529 -18.908 651 1HD PRO 81 HD3 PRO 81 -1.831 8.855 -18.347 652 2HD PRO 81 HD2 PRO 81 -2.920 9.909 -17.427 653 H GLY 82 HN GLY 82 -4.949 4.731 -17.063 654 1HA GLY 82 HA1 GLY 82 -4.259 2.574 -18.127 655 2HA GLY 82 HA2 GLY 82 -2.615 3.181 -17.996 656 H LEU 83 HN LEU 83 -3.812 4.425 -15.370 657 HA LEU 83 HA LEU 83 -2.948 2.183 -13.715 658 1HB LEU 83 HB3 LEU 83 -1.913 4.474 -13.493 659 2HB LEU 83 HB2 LEU 83 -3.448 5.064 -12.891 660 HG LEU 83 HG LEU 83 -3.247 3.394 -11.009 661 1HD1 LEU 83 HD11 LEU 83 -0.529 3.062 -12.254 662 2HD1 LEU 83 HD12 LEU 83 -0.913 2.618 -10.591 663 3HD1 LEU 83 HD13 LEU 83 -1.725 1.811 -11.926 664 1HD2 LEU 83 HD21 LEU 83 -0.936 5.346 -11.140 665 2HD2 LEU 83 HD22 LEU 83 -2.610 5.835 -10.892 666 3HD2 LEU 83 HD23 LEU 83 -1.823 4.795 -9.715 667 HA PRO 84 HA PRO 84 -7.253 1.668 -12.526 668 1HB PRO 84 HB2 PRO 84 -6.559 -0.314 -10.621 669 2HB PRO 84 HB3 PRO 84 -7.126 -0.540 -12.271 670 1HG PRO 84 HG3 PRO 84 -4.601 -1.215 -11.385 671 2HG PRO 84 HG2 PRO 84 -5.062 -0.949 -13.072 672 1HD PRO 84 HD3 PRO 84 -3.734 0.928 -11.134 673 2HD PRO 84 HD2 PRO 84 -3.382 0.668 -12.858 674 H SER 85 HN SER 85 -8.615 1.910 -10.719 675 HA SER 85 HA SER 85 -7.425 3.325 -8.407 676 1HB SER 85 HB3 SER 85 -9.586 4.583 -8.332 677 2HB SER 85 HB2 SER 85 -8.647 4.877 -9.794 678 HG SER 85 HG SER 85 -10.511 2.798 -9.876 679 H PHE 86 HN PHE 86 -7.869 2.497 -6.459 680 HA PHE 86 HA PHE 86 -10.177 0.752 -6.178 681 1HB PHE 86 HB2 PHE 86 -8.972 -1.069 -5.272 682 2HB PHE 86 HB3 PHE 86 -8.194 -0.637 -6.778 683 HD1 PHE 86 HD1 PHE 86 -7.900 -0.794 -3.170 684 HD2 PHE 86 HD2 PHE 86 -5.936 0.239 -6.782 685 HE1 PHE 86 HE1 PHE 86 -5.756 -0.719 -1.975 686 HE2 PHE 86 HE2 PHE 86 -3.755 0.271 -5.604 687 HZ PHE 86 HZ PHE 86 -3.681 -0.214 -3.177 688 H ARG 87 HN ARG 87 -10.102 -0.082 -3.673 689 HA ARG 87 HA ARG 87 -9.375 2.171 -1.965 690 1HB ARG 87 HB3 ARG 87 -11.540 2.025 -0.809 691 2HB ARG 87 HB2 ARG 87 -11.694 2.607 -2.459 692 1HG ARG 87 HG2 ARG 87 -12.064 -0.274 -1.843 693 2HG ARG 87 HG3 ARG 87 -13.364 0.869 -1.494 694 1HD ARG 87 HD2 ARG 87 -12.027 0.434 -4.158 695 2HD ARG 87 HD3 ARG 87 -13.626 -0.143 -3.695 696 HE ARG 87 HE ARG 87 -13.508 2.653 -3.346 697 1HH1 ARG 87 HH12 ARG 87 -14.819 0.368 -5.632 698 2HH1 ARG 87 HH11 ARG 87 -14.114 1.190 -6.995 699 1HH2 ARG 87 HH22 ARG 87 -14.758 3.930 -4.822 700 2HH2 ARG 87 HH21 ARG 87 -14.266 3.708 -6.481 701 H ILE 88 HN ILE 88 -8.824 1.603 0.092 702 HA ILE 88 HA ILE 88 -8.937 -1.270 0.720 703 HB ILE 88 HB ILE 88 -6.841 -0.768 2.130 704 1HG1 ILE 88 HG12 ILE 88 -6.703 1.461 0.098 705 2HG1 ILE 88 HG13 ILE 88 -6.908 1.665 1.831 706 1HG2 ILE 88 HG21 ILE 88 -6.433 -2.308 0.527 707 2HG2 ILE 88 HG22 ILE 88 -7.093 -1.298 -0.756 708 3HG2 ILE 88 HG23 ILE 88 -5.471 -0.983 -0.138 709 1HD1 ILE 88 HD11 ILE 88 -4.514 0.486 0.441 710 2HD1 ILE 88 HD12 ILE 88 -4.604 2.107 1.118 711 3HD1 ILE 88 HD13 ILE 88 -4.668 0.696 2.180 712 H LYS 89 HN LYS 89 -9.805 -1.871 2.615 713 HA LYS 89 HA LYS 89 -9.894 0.047 4.797 714 1HB LYS 89 HB3 LYS 89 -12.230 -0.087 5.184 715 2HB LYS 89 HB2 LYS 89 -12.021 0.325 3.491 716 1HG LYS 89 HG2 LYS 89 -12.609 -1.834 2.790 717 2HG LYS 89 HG3 LYS 89 -12.571 -2.449 4.452 718 1HD LYS 89 HD3 LYS 89 -14.335 -0.178 4.149 719 2HD LYS 89 HD2 LYS 89 -14.807 -1.530 3.114 720 1HE LYS 89 HE3 LYS 89 -15.937 -1.952 5.067 721 2HE LYS 89 HE2 LYS 89 -14.498 -2.946 5.253 722 1HZ LYS 89 HZ1 LYS 89 -15.414 -0.728 6.825 723 2HZ LYS 89 HZ2 LYS 89 -13.780 -0.560 6.385 724 3HZ LYS 89 HZ3 LYS 89 -14.310 -1.949 7.210 725 HA PRO 90 HA PRO 90 -8.943 -3.745 6.850 726 1HB PRO 90 HB3 PRO 90 -9.365 -3.082 9.411 727 2HB PRO 90 HB2 PRO 90 -8.013 -2.424 8.477 728 1HG PRO 90 HG2 PRO 90 -10.632 -1.126 9.153 729 2HG PRO 90 HG3 PRO 90 -9.005 -0.423 9.135 730 1HD PRO 90 HD3 PRO 90 -10.833 -0.136 7.124 731 2HD PRO 90 HD2 PRO 90 -9.072 -0.046 6.908 732 H LYS 91 HN LYS 91 -10.755 -4.937 5.925 733 HA LYS 91 HA LYS 91 -13.244 -4.945 7.367 734 1HB LYS 91 HB2 LYS 91 -13.393 -5.179 4.995 735 2HB LYS 91 HB3 LYS 91 -12.220 -6.484 4.970 736 1HG LYS 91 HG3 LYS 91 -13.802 -7.986 6.004 737 2HG LYS 91 HG2 LYS 91 -14.923 -6.662 6.324 738 1HD LYS 91 HD2 LYS 91 -15.297 -6.362 3.958 739 2HD LYS 91 HD3 LYS 91 -14.082 -7.583 3.579 740 1HE LYS 91 HE3 LYS 91 -16.340 -8.485 3.379 741 2HE LYS 91 HE2 LYS 91 -15.430 -9.282 4.658 742 1HZ LYS 91 HZ1 LYS 91 -16.728 -7.249 5.942 743 2HZ LYS 91 HZ2 LYS 91 -17.200 -8.880 5.907 744 3HZ LYS 91 HZ3 LYS 91 -17.862 -7.779 4.802 745 H ASP 92 HN ASP 92 -10.799 -7.460 6.572 746 HA ASP 92 HA ASP 92 -11.855 -9.409 8.303 747 1HB ASP 92 HB3 ASP 92 -10.169 -9.751 6.413 748 2HB ASP 92 HB2 ASP 92 -8.939 -9.189 7.539 749 H PHE 93 HN PHE 93 -9.477 -6.879 8.771 750 HA PHE 93 HA PHE 93 -8.725 -5.841 10.619 751 1HB PHE 93 HB2 PHE 93 -10.753 -7.613 11.887 752 2HB PHE 93 HB3 PHE 93 -9.537 -6.860 12.912 753 HD1 PHE 93 HD1 PHE 93 -12.604 -6.500 12.810 754 HD2 PHE 93 HD2 PHE 93 -9.356 -4.276 11.227 755 HE1 PHE 93 HE1 PHE 93 -13.939 -4.426 12.937 756 HE2 PHE 93 HE2 PHE 93 -10.659 -2.221 11.391 757 HZ PHE 93 HZ PHE 93 -12.983 -2.287 12.240 758 H GLU 94 HN GLU 94 -8.801 -8.589 12.698 759 HA GLU 94 HA GLU 94 -7.191 -9.904 13.563 760 1HB GLU 94 HB3 GLU 94 -5.910 -9.564 10.837 761 2HB GLU 94 HB2 GLU 94 -5.277 -10.622 12.087 762 1HG GLU 94 HG3 GLU 94 -7.984 -10.830 10.807 763 2HG GLU 94 HG2 GLU 94 -6.579 -11.817 10.417 764 H THR 95 HN THR 95 -7.185 -7.457 14.435 765 HA THR 95 HA THR 95 -6.020 -5.908 15.576 766 HB THR 95 HB THR 95 -3.451 -7.420 15.004 767 HG1 THR 95 HG1 THR 95 -4.291 -9.054 15.991 768 1HG2 THR 95 HG21 THR 95 -2.608 -6.510 16.929 769 2HG2 THR 95 HG22 THR 95 -4.209 -6.221 17.623 770 3HG2 THR 95 HG23 THR 95 -3.609 -5.193 16.318 771 H SER 96 HN SER 96 -6.611 -5.323 12.967 772 HA SER 96 HA SER 96 -4.232 -3.885 12.001 773 1HB SER 96 HB3 SER 96 -6.540 -5.101 10.499 774 2HB SER 96 HB2 SER 96 -5.477 -3.909 9.758 775 HG SER 96 HG SER 96 -3.948 -5.367 9.596 776 H GLU 97 HN GLU 97 -7.082 -3.385 13.595 777 HA GLU 97 HA GLU 97 -7.969 -1.005 12.254 778 1HB GLU 97 HB3 GLU 97 -9.527 -2.230 13.704 779 2HB GLU 97 HB2 GLU 97 -8.442 -1.990 15.065 780 1HG GLU 97 HG2 GLU 97 -10.361 -0.472 15.159 781 2HG GLU 97 HG3 GLU 97 -8.818 0.376 15.059 782 H TYR 98 HN TYR 98 -6.114 -1.732 15.139 783 HA TYR 98 HA TYR 98 -5.472 0.947 15.798 784 1HB TYR 98 HB3 TYR 98 -5.487 -0.869 17.443 785 2HB TYR 98 HB2 TYR 98 -4.180 -1.687 16.581 786 HD1 TYR 98 HD1 TYR 98 -1.891 -0.854 16.648 787 HD2 TYR 98 HD2 TYR 98 -5.017 1.044 18.853 788 HE1 TYR 98 HE1 TYR 98 -0.204 0.324 18.001 789 HE2 TYR 98 HE2 TYR 98 -3.319 2.247 20.205 790 HH TYR 98 HH TYR 98 0.136 1.512 19.914 791 H VAL 99 HN VAL 99 -4.051 -1.407 13.633 792 HA VAL 99 HA VAL 99 -1.563 0.018 13.357 793 HB VAL 99 HB VAL 99 -2.688 -2.243 11.689 794 1HG1 VAL 99 HG21 VAL 99 -0.459 -2.595 10.900 795 2HG1 VAL 99 HG22 VAL 99 -0.926 -0.920 10.573 796 3HG1 VAL 99 HG23 VAL 99 0.149 -1.293 11.926 797 1HG2 VAL 99 HG11 VAL 99 -0.870 -2.249 14.089 798 2HG2 VAL 99 HG12 VAL 99 -2.479 -2.951 13.950 799 3HG2 VAL 99 HG13 VAL 99 -1.145 -3.641 13.041 800 H ARG 100 HN ARG 100 -4.436 -0.587 11.345 801 HA ARG 100 HA ARG 100 -3.662 1.001 9.163 802 1HB ARG 100 HB3 ARG 100 -5.510 -0.743 9.219 803 2HB ARG 100 HB2 ARG 100 -6.496 0.436 10.067 804 1HG ARG 100 HG2 ARG 100 -5.360 1.250 7.455 805 2HG ARG 100 HG3 ARG 100 -6.688 0.089 7.458 806 1HD ARG 100 HD3 ARG 100 -6.648 2.893 8.455 807 2HD ARG 100 HD2 ARG 100 -7.774 2.150 7.323 808 HE ARG 100 HE ARG 100 -7.820 1.068 10.019 809 1HH1 ARG 100 HH11 ARG 100 -9.493 3.398 7.802 810 2HH1 ARG 100 HH12 ARG 100 -10.883 2.501 8.367 811 1HH2 ARG 100 HH22 ARG 100 -9.737 1.431 11.258 812 2HH2 ARG 100 HH21 ARG 100 -10.696 2.828 10.862 813 H LYS 101 HN LYS 101 -4.741 1.899 12.305 814 HA LYS 101 HA LYS 101 -5.845 4.418 11.610 815 1HB LYS 101 HB3 LYS 101 -6.003 3.141 13.875 816 2HB LYS 101 HB2 LYS 101 -4.454 3.892 14.229 817 1HG LYS 101 HG3 LYS 101 -6.162 5.209 15.207 818 2HG LYS 101 HG2 LYS 101 -5.459 6.102 13.863 819 1HD LYS 101 HD3 LYS 101 -7.909 6.284 13.927 820 2HD LYS 101 HD2 LYS 101 -7.342 5.496 12.452 821 1HE LYS 101 HE2 LYS 101 -7.888 3.336 13.341 822 2HE LYS 101 HE3 LYS 101 -8.250 4.009 14.922 823 1HZ LYS 101 HZ1 LYS 101 -10.183 3.418 13.411 824 2HZ LYS 101 HZ2 LYS 101 -9.744 4.788 12.486 825 3HZ LYS 101 HZ3 LYS 101 -10.197 4.963 14.117 826 H ALA 102 HN ALA 102 -2.718 3.093 11.846 827 HA ALA 102 HA ALA 102 -1.443 5.740 11.718 828 1HB ALA 102 HB1 ALA 102 -0.612 3.088 12.656 829 2HB ALA 102 HB2 ALA 102 0.598 3.956 11.701 830 3HB ALA 102 HB3 ALA 102 -0.075 4.702 13.147 831 H TRP 103 HN TRP 103 -3.005 4.093 9.615 832 HA TRP 103 HA TRP 103 -0.969 3.977 7.492 833 1HB TRP 103 HB3 TRP 103 -3.608 2.606 7.845 834 2HB TRP 103 HB2 TRP 103 -3.011 2.911 6.217 835 HD1 TRP 103 HD1 TRP 103 -1.755 1.124 9.433 836 HE1 TRP 103 HE1 TRP 103 -0.320 -0.875 8.683 837 HE3 TRP 103 HE3 TRP 103 -1.866 1.852 4.377 838 HZ2 TRP 103 HZ2 TRP 103 0.668 -1.971 6.305 839 HZ3 TRP 103 HZ3 TRP 103 -0.637 0.278 2.947 840 HH2 TRP 103 HH2 TRP 103 0.608 -1.596 3.882 841 H LEU 104 HN LEU 104 -4.164 5.250 8.301 842 HA LEU 104 HA LEU 104 -4.440 6.756 5.928 843 1HB LEU 104 HB3 LEU 104 -6.100 8.060 7.457 844 2HB LEU 104 HB2 LEU 104 -6.473 6.413 7.003 845 HG LEU 104 HG LEU 104 -5.066 6.170 9.404 846 1HD1 LEU 104 HD21 LEU 104 -5.267 8.167 10.392 847 2HD1 LEU 104 HD22 LEU 104 -6.536 8.701 9.287 848 3HD1 LEU 104 HD23 LEU 104 -6.939 7.663 10.656 849 1HD2 LEU 104 HD11 LEU 104 -7.898 5.898 8.464 850 2HD2 LEU 104 HD12 LEU 104 -6.755 4.662 9.047 851 3HD2 LEU 104 HD13 LEU 104 -7.532 5.759 10.201 852 H ARG 105 HN ARG 105 -3.037 7.334 9.026 853 HA ARG 105 HA ARG 105 -2.593 10.119 8.771 854 1HB ARG 105 HB2 ARG 105 -1.269 7.978 10.391 855 2HB ARG 105 HB3 ARG 105 -0.655 9.627 10.414 856 1HG ARG 105 HG2 ARG 105 -2.873 10.401 11.166 857 2HG ARG 105 HG3 ARG 105 -3.445 8.729 11.120 858 1HD ARG 105 HD3 ARG 105 -2.151 8.105 12.945 859 2HD ARG 105 HD2 ARG 105 -1.059 9.479 12.760 860 HE ARG 105 HE ARG 105 -3.446 10.666 13.310 861 1HH1 ARG 105 HH11 ARG 105 -1.696 8.138 15.214 862 2HH1 ARG 105 HH12 ARG 105 -3.261 8.042 15.980 863 1HH2 ARG 105 HH21 ARG 105 -3.256 11.536 15.878 864 2HH2 ARG 105 HH22 ARG 105 -4.510 10.332 16.032 865 H ASP 106 HN ASP 106 -0.641 7.296 7.888 866 HA ASP 106 HA ASP 106 1.461 8.880 6.771 867 1HB ASP 106 HB2 ASP 106 0.861 5.928 6.838 868 2HB ASP 106 HB3 ASP 106 2.109 6.578 5.770 869 H ILE 107 HN ILE 107 -1.606 8.175 5.750 870 HA ILE 107 HA ILE 107 -0.897 8.192 2.938 871 HB ILE 107 HB ILE 107 -3.094 7.096 4.466 872 1HG1 ILE 107 HG12 ILE 107 -3.400 5.813 2.344 873 2HG1 ILE 107 HG13 ILE 107 -2.147 6.814 1.599 874 1HG2 ILE 107 HG21 ILE 107 -4.728 7.595 2.455 875 2HG2 ILE 107 HG22 ILE 107 -4.651 8.656 3.858 876 3HG2 ILE 107 HG23 ILE 107 -3.803 9.095 2.376 877 1HD1 ILE 107 HD11 ILE 107 -0.481 5.921 2.922 878 2HD1 ILE 107 HD12 ILE 107 -1.621 5.299 4.118 879 3HD1 ILE 107 HD13 ILE 107 -1.494 4.528 2.535 880 H ALA 108 HN ALA 108 -2.549 10.108 5.360 881 HA ALA 108 HA ALA 108 -3.534 12.187 3.707 882 1HB ALA 108 HB1 ALA 108 -4.502 12.290 5.795 883 2HB ALA 108 HB2 ALA 108 -2.995 11.869 6.612 884 3HB ALA 108 HB3 ALA 108 -3.230 13.505 5.990 885 H GLU 109 HN GLU 109 -0.490 11.256 4.532 886 HA GLU 109 HA GLU 109 0.796 13.328 3.102 887 1HB GLU 109 HB3 GLU 109 2.312 13.924 5.051 888 2HB GLU 109 HB2 GLU 109 0.699 14.619 5.072 889 1HG GLU 109 HG2 GLU 109 0.024 12.825 6.665 890 2HG GLU 109 HG3 GLU 109 1.705 12.291 6.703 891 H GLU 110 HN GLU 110 1.216 11.362 1.974 892 HA GLU 110 HA GLU 110 2.295 9.045 2.966 893 1HB GLU 110 HB2 GLU 110 3.096 8.609 0.699 894 2HB GLU 110 HB3 GLU 110 1.465 9.228 0.703 895 1HG GLU 110 HG2 GLU 110 3.951 10.769 -0.019 896 2HG GLU 110 HG3 GLU 110 2.780 10.105 -1.147 897 H GLN 111 HN GLN 111 3.970 8.651 4.070 898 HA GLN 111 HA GLN 111 5.820 9.120 5.331 899 1HB GLN 111 HB2 GLN 111 6.490 7.611 3.357 900 2HB GLN 111 HB3 GLN 111 7.234 9.054 2.674 901 1HG GLN 111 HG2 GLN 111 8.581 9.292 4.730 902 2HG GLN 111 HG3 GLN 111 7.850 7.821 5.361 903 1HE2 GLN 111 HE21 GLN 111 10.605 8.893 4.209 904 2HE2 GLN 111 HE22 GLN 111 11.210 7.445 3.497 905 H GLU 112 HN GLU 112 5.061 11.277 5.761 906 HA GLU 112 HA GLU 112 5.519 13.634 4.577 907 1HB GLU 112 HB3 GLU 112 5.807 14.523 6.959 908 2HB GLU 112 HB2 GLU 112 4.344 13.618 6.578 909 1HG GLU 112 HG3 GLU 112 5.327 11.606 7.551 910 2HG GLU 112 HG2 GLU 112 6.780 12.519 7.942 911 H LYS 113 HN LYS 113 8.008 11.683 6.127 912 HA LYS 113 HA LYS 113 9.939 13.793 6.190 913 1HB LYS 113 HB3 LYS 113 11.494 11.592 6.487 914 2HB LYS 113 HB2 LYS 113 10.622 12.370 7.805 915 1HG LYS 113 HG3 LYS 113 9.300 10.216 6.215 916 2HG LYS 113 HG2 LYS 113 10.472 9.804 7.470 917 1HD LYS 113 HD2 LYS 113 8.223 11.681 8.018 918 2HD LYS 113 HD3 LYS 113 7.994 9.937 8.124 919 1HE LYS 113 HE2 LYS 113 9.884 9.881 9.784 920 2HE LYS 113 HE3 LYS 113 9.920 11.633 9.677 921 1HZ LYS 113 HZ1 LYS 113 7.408 10.348 10.379 922 2HZ LYS 113 HZ2 LYS 113 8.000 11.886 10.783 923 3HZ LYS 113 HZ3 LYS 113 8.614 10.506 11.561 924 H TYR 114 HN TYR 114 8.922 11.547 3.794 925 HA TYR 114 HA TYR 114 11.334 11.244 2.353 926 1HB TYR 114 HB3 TYR 114 8.978 10.019 2.198 927 2HB TYR 114 HB2 TYR 114 8.730 11.196 0.906 928 HD1 TYR 114 HD1 TYR 114 10.964 11.404 -0.672 929 HD2 TYR 114 HD2 TYR 114 9.721 7.977 1.519 930 HE1 TYR 114 HE1 TYR 114 12.223 9.979 -2.216 931 HE2 TYR 114 HE2 TYR 114 11.045 6.540 0.021 932 HH TYR 114 HH TYR 114 12.374 7.712 -2.930 933 H ALA 115 HN ALA 115 8.497 13.034 1.143 934 HA ALA 115 HA ALA 115 10.352 14.868 -0.224 935 1HB ALA 115 HB1 ALA 115 8.326 13.394 -1.279 936 2HB ALA 115 HB2 ALA 115 7.535 14.957 -1.029 937 3HB ALA 115 HB3 ALA 115 9.003 14.852 -2.015 938 H ALA 116 HN ALA 116 9.802 17.102 -0.400 939 HA ALA 116 HA ALA 116 8.691 18.146 2.071 940 1HB ALA 116 HB1 ALA 116 9.659 20.211 1.501 941 2HB ALA 116 HB2 ALA 116 10.835 19.001 0.969 942 3HB ALA 116 HB3 ALA 116 9.766 19.777 -0.206 943 H GLU 117 HN GLU 117 8.153 18.358 -1.437 944 HA GLU 117 HA GLU 117 5.331 18.948 -0.931 945 1HB GLU 117 HB3 GLU 117 7.064 20.569 -2.809 946 2HB GLU 117 HB2 GLU 117 5.322 20.724 -2.643 947 1HG GLU 117 HG2 GLU 117 5.577 21.488 -0.362 948 2HG GLU 117 HG3 GLU 117 7.321 21.214 -0.450 949 H ARG 118 HN ARG 118 6.797 19.335 -4.058 950 HA ARG 118 HA ARG 118 6.265 16.614 -4.839 951 1HB ARG 118 HB3 ARG 118 4.694 17.114 -6.588 952 2HB ARG 118 HB2 ARG 118 4.057 17.689 -5.067 953 1HG ARG 118 HG2 ARG 118 5.502 19.522 -6.957 954 2HG ARG 118 HG3 ARG 118 3.784 19.172 -7.135 955 1HD ARG 118 HD2 ARG 118 3.395 20.030 -4.873 956 2HD ARG 118 HD3 ARG 118 5.122 20.362 -4.699 957 HE ARG 118 HE ARG 118 4.309 21.684 -6.985 958 1HH1 ARG 118 HH11 ARG 118 2.651 21.897 -3.837 959 2HH1 ARG 118 HH12 ARG 118 3.693 23.224 -3.395 960 1HH2 ARG 118 HH21 ARG 118 2.927 23.876 -6.801 961 2HH2 ARG 118 HH22 ARG 118 4.264 24.559 -5.929 962 H ASP 119 HN ASP 119 6.343 16.864 -7.550 963 HA ASP 119 HA ASP 119 8.641 18.527 -8.192 964 1HB ASP 119 HB3 ASP 119 9.526 16.266 -7.507 965 2HB ASP 119 HB2 ASP 119 8.614 15.581 -8.851 Start of MODEL 18 1 1H MET 1 HT1 MET 1 14.804 -12.311 -4.331 2 2H MET 1 HT2 MET 1 15.806 -13.639 -4.778 3 3H MET 1 HT3 MET 1 16.229 -12.042 -5.253 4 HA MET 1 HA MET 1 16.374 -11.478 -2.869 5 1HB MET 1 HB3 MET 1 16.084 -14.477 -2.725 6 2HB MET 1 HB2 MET 1 16.835 -13.544 -1.440 7 1HG MET 1 HG3 MET 1 14.781 -12.295 -1.120 8 2HG MET 1 HG2 MET 1 14.028 -13.173 -2.449 9 1HE MET 1 HE1 MET 1 14.077 -16.837 -1.034 10 2HE MET 1 HE2 MET 1 13.058 -15.864 -2.097 11 3HE MET 1 HE3 MET 1 14.805 -15.903 -2.339 12 H GLY 2 HN GLY 2 18.437 -12.039 -1.653 13 1HA GLY 2 HA1 GLY 2 20.570 -13.478 -2.477 14 2HA GLY 2 HA2 GLY 2 20.594 -12.100 -3.576 15 H ASP 3 HN ASP 3 20.860 -10.024 -2.745 16 HA ASP 3 HA ASP 3 22.607 -9.819 -0.491 17 1HB ASP 3 HB2 ASP 3 22.783 -8.284 -2.390 18 2HB ASP 3 HB3 ASP 3 21.143 -7.707 -2.102 19 H THR 4 HN THR 4 19.250 -9.057 -1.187 20 HA THR 4 HA THR 4 18.738 -8.572 1.660 21 HB THR 4 HB THR 4 16.431 -7.837 0.453 22 HG1 THR 4 HG1 THR 4 18.218 -6.759 -1.372 23 1HG2 THR 4 HG21 THR 4 17.767 -5.515 0.146 24 2HG2 THR 4 HG22 THR 4 18.838 -6.367 1.258 25 3HG2 THR 4 HG23 THR 4 17.145 -6.108 1.685 26 H GLY 5 HN GLY 5 16.764 -9.419 2.543 27 1HA GLY 5 HA1 GLY 5 16.203 -12.100 1.496 28 2HA GLY 5 HA2 GLY 5 15.902 -11.552 3.141 29 H LYS 6 HN LYS 6 13.758 -11.684 3.457 30 HA LYS 6 HA LYS 6 12.025 -10.637 1.328 31 1HB LYS 6 HB2 LYS 6 10.203 -11.975 2.559 32 2HB LYS 6 HB3 LYS 6 11.375 -12.864 1.601 33 1HG LYS 6 HG3 LYS 6 11.253 -14.147 3.505 34 2HG LYS 6 HG2 LYS 6 12.641 -13.118 3.853 35 1HD LYS 6 HD2 LYS 6 11.309 -11.674 5.226 36 2HD LYS 6 HD3 LYS 6 9.838 -12.547 4.792 37 1HE LYS 6 HE2 LYS 6 10.740 -13.125 7.024 38 2HE LYS 6 HE3 LYS 6 10.583 -14.504 5.939 39 1HZ LYS 6 HZ1 LYS 6 12.768 -14.857 5.975 40 2HZ LYS 6 HZ2 LYS 6 12.782 -13.867 7.349 41 3HZ LYS 6 HZ3 LYS 6 13.156 -13.208 5.833 42 H LEU 7 HN LEU 7 13.311 -8.891 3.107 43 HA LEU 7 HA LEU 7 11.029 -7.927 4.708 44 1HB LEU 7 HB3 LEU 7 13.974 -7.458 5.182 45 2HB LEU 7 HB2 LEU 7 12.675 -6.773 6.138 46 HG LEU 7 HG LEU 7 13.420 -9.696 5.944 47 1HD1 LEU 7 HD21 LEU 7 13.433 -8.040 8.429 48 2HD1 LEU 7 HD22 LEU 7 14.327 -9.514 8.054 49 3HD1 LEU 7 HD23 LEU 7 14.798 -7.988 7.313 50 1HD2 LEU 7 HD11 LEU 7 11.626 -10.281 7.255 51 2HD2 LEU 7 HD12 LEU 7 11.400 -8.646 7.872 52 3HD2 LEU 7 HD13 LEU 7 10.908 -9.041 6.226 53 H GLY 8 HN GLY 8 12.374 -5.375 5.196 54 1HA GLY 8 HA2 GLY 8 13.094 -3.469 3.935 55 2HA GLY 8 HA1 GLY 8 12.463 -4.234 2.484 56 H ARG 9 HN ARG 9 10.590 -4.310 5.377 57 HA ARG 9 HA ARG 9 8.449 -2.821 4.134 58 1HB ARG 9 HB3 ARG 9 8.735 -4.170 6.824 59 2HB ARG 9 HB2 ARG 9 7.314 -3.234 6.392 60 1HG ARG 9 HG3 ARG 9 6.702 -5.423 5.963 61 2HG ARG 9 HG2 ARG 9 7.131 -4.788 4.375 62 1HD ARG 9 HD3 ARG 9 9.339 -5.829 4.557 63 2HD ARG 9 HD2 ARG 9 8.911 -6.455 6.149 64 HE ARG 9 HE ARG 9 8.137 -7.510 3.594 65 1HH1 ARG 9 HH12 ARG 9 7.298 -7.553 7.094 66 2HH1 ARG 9 HH11 ARG 9 7.134 -9.278 6.901 67 1HH2 ARG 9 HH21 ARG 9 7.114 -9.703 3.801 68 2HH2 ARG 9 HH22 ARG 9 5.606 -9.446 4.643 69 H ILE 10 HN ILE 10 10.311 -1.040 4.137 70 HA ILE 10 HA ILE 10 10.997 0.449 6.322 71 HB ILE 10 HB ILE 10 12.069 0.906 4.288 72 1HG1 ILE 10 HG13 ILE 10 10.369 3.328 4.912 73 2HG1 ILE 10 HG12 ILE 10 11.798 2.835 5.809 74 1HG2 ILE 10 HG21 ILE 10 9.342 1.233 3.199 75 2HG2 ILE 10 HG22 ILE 10 10.645 2.181 2.478 76 3HG2 ILE 10 HG23 ILE 10 10.761 0.425 2.526 77 1HD1 ILE 10 HD11 ILE 10 11.567 4.233 3.254 78 2HD1 ILE 10 HD12 ILE 10 12.828 4.296 4.487 79 3HD1 ILE 10 HD13 ILE 10 12.810 2.981 3.316 80 H ILE 11 HN ILE 11 8.088 1.171 4.282 81 HA ILE 11 HA ILE 11 7.286 3.113 6.262 82 HB ILE 11 HB ILE 11 5.734 2.176 3.838 83 1HG1 ILE 11 HG13 ILE 11 7.541 4.571 4.266 84 2HG1 ILE 11 HG12 ILE 11 7.785 3.251 3.127 85 1HG2 ILE 11 HG21 ILE 11 5.030 4.793 4.652 86 2HG2 ILE 11 HG22 ILE 11 4.038 3.334 4.709 87 3HG2 ILE 11 HG23 ILE 11 5.028 3.782 6.098 88 1HD1 ILE 11 HD11 ILE 11 5.800 5.486 2.999 89 2HD1 ILE 11 HD12 ILE 11 7.020 5.007 1.817 90 3HD1 ILE 11 HD13 ILE 11 5.588 4.006 2.062 91 H ARG 12 HN ARG 12 5.089 0.748 4.808 92 HA ARG 12 HA ARG 12 4.551 -0.463 7.406 93 1HB ARG 12 HB2 ARG 12 2.792 1.483 6.025 94 2HB ARG 12 HB3 ARG 12 1.998 0.077 6.717 95 1HG ARG 12 HG3 ARG 12 2.784 0.624 8.897 96 2HG ARG 12 HG2 ARG 12 3.829 1.896 8.261 97 1HD ARG 12 HD3 ARG 12 1.825 3.105 7.471 98 2HD ARG 12 HD2 ARG 12 0.815 1.848 8.181 99 HE ARG 12 HE ARG 12 0.972 2.988 10.127 100 1HH1 ARG 12 HH11 ARG 12 3.917 4.656 8.507 101 2HH1 ARG 12 HH12 ARG 12 4.698 3.482 9.542 102 1HH2 ARG 12 HH22 ARG 12 2.952 4.081 11.997 103 2HH2 ARG 12 HH21 ARG 12 2.411 5.504 11.140 104 H HIS 13 HN HIS 13 2.834 -2.181 7.214 105 HA HIS 13 HA HIS 13 2.348 -3.244 4.560 106 1HB HIS 13 HB2 HIS 13 3.422 -5.367 4.886 107 2HB HIS 13 HB3 HIS 13 4.627 -4.128 5.212 108 HD1 HIS 13 HD1 HIS 13 4.904 -3.606 7.945 109 HD2 HIS 13 HD2 HIS 13 3.275 -7.259 6.790 110 HE1 HIS 13 HE1 HIS 13 5.033 -5.084 9.974 111 HE2 HIS 13 HE2 HIS 13 3.825 -7.197 9.314 112 H ASP 14 HN ASP 14 0.395 -4.276 4.539 113 HA ASP 14 HA ASP 14 -0.715 -5.258 7.081 114 1HB ASP 14 HB2 ASP 14 -1.369 -2.789 6.343 115 2HB ASP 14 HB3 ASP 14 -2.500 -3.650 5.307 116 H ALA 15 HN ALA 15 -3.312 -5.722 6.117 117 HA ALA 15 HA ALA 15 -3.090 -7.249 3.660 118 1HB ALA 15 HB1 ALA 15 -4.328 -8.889 5.728 119 2HB ALA 15 HB2 ALA 15 -3.177 -9.326 4.467 120 3HB ALA 15 HB3 ALA 15 -2.602 -8.623 5.979 121 H PHE 16 HN PHE 16 -4.751 -6.447 2.586 122 HA PHE 16 HA PHE 16 -7.305 -6.116 4.015 123 1HB PHE 16 HB2 PHE 16 -6.315 -4.621 1.579 124 2HB PHE 16 HB3 PHE 16 -7.879 -4.399 2.357 125 HD1 PHE 16 HD1 PHE 16 -7.808 -3.764 4.871 126 HD2 PHE 16 HD2 PHE 16 -4.556 -3.271 2.179 127 HE1 PHE 16 HE1 PHE 16 -6.818 -2.102 6.385 128 HE2 PHE 16 HE2 PHE 16 -3.557 -1.596 3.678 129 HZ PHE 16 HZ PHE 16 -4.687 -1.010 5.790 130 H GLN 17 HN GLN 17 -9.074 -7.031 3.184 131 HA GLN 17 HA GLN 17 -8.769 -8.532 0.672 132 1HB GLN 17 HB3 GLN 17 -9.007 -9.808 2.954 133 2HB GLN 17 HB2 GLN 17 -10.696 -9.330 2.842 134 1HG GLN 17 HG3 GLN 17 -9.247 -10.895 0.725 135 2HG GLN 17 HG2 GLN 17 -10.189 -11.624 2.022 136 1HE2 GLN 17 HE21 GLN 17 -12.302 -11.869 1.758 137 2HE2 GLN 17 HE22 GLN 17 -13.176 -11.367 0.353 138 H VAL 18 HN VAL 18 -9.449 -6.572 -0.326 139 HA VAL 18 HA VAL 18 -12.335 -6.266 -0.359 140 HB VAL 18 HB VAL 18 -11.739 -3.697 -0.510 141 1HG1 VAL 18 HG21 VAL 18 -12.367 -3.479 1.815 142 2HG1 VAL 18 HG22 VAL 18 -13.320 -4.743 1.040 143 3HG1 VAL 18 HG23 VAL 18 -11.979 -5.176 2.101 144 1HG2 VAL 18 HG11 VAL 18 -10.043 -3.303 1.393 145 2HG2 VAL 18 HG12 VAL 18 -9.477 -4.929 1.004 146 3HG2 VAL 18 HG13 VAL 18 -9.443 -3.665 -0.226 147 H TRP 19 HN TRP 19 -13.101 -5.161 -2.093 148 HA TRP 19 HA TRP 19 -12.614 -5.947 -4.528 149 1HB TRP 19 HB2 TRP 19 -13.351 -3.097 -3.915 150 2HB TRP 19 HB3 TRP 19 -13.838 -4.054 -5.315 151 HD1 TRP 19 HD1 TRP 19 -15.647 -6.054 -4.852 152 HE1 TRP 19 HE1 TRP 19 -17.420 -6.339 -3.003 153 HE3 TRP 19 HE3 TRP 19 -13.791 -2.738 -1.438 154 HZ2 TRP 19 HZ2 TRP 19 -17.936 -5.303 -0.427 155 HZ3 TRP 19 HZ3 TRP 19 -14.975 -2.456 0.705 156 HH2 TRP 19 HH2 TRP 19 -17.002 -3.721 1.197 157 H GLU 20 HN GLU 20 -11.144 -5.922 -6.024 158 HA GLU 20 HA GLU 20 -9.241 -3.693 -6.249 159 1HB GLU 20 HB3 GLU 20 -8.180 -5.384 -4.846 160 2HB GLU 20 HB2 GLU 20 -8.520 -6.625 -6.038 161 1HG GLU 20 HG2 GLU 20 -6.181 -5.960 -6.071 162 2HG GLU 20 HG3 GLU 20 -6.976 -5.592 -7.600 163 H GLY 21 HN GLY 21 -8.524 -3.259 -8.270 164 1HA GLY 21 HA2 GLY 21 -8.690 -3.089 -10.559 165 2HA GLY 21 HA1 GLY 21 -8.246 -4.782 -10.493 166 H ASP 22 HN ASP 22 -9.388 -5.691 -12.038 167 HA ASP 22 HA ASP 22 -12.242 -5.070 -12.275 168 1HB ASP 22 HB2 ASP 22 -10.158 -5.950 -14.160 169 2HB ASP 22 HB3 ASP 22 -11.726 -6.725 -14.372 170 H GLU 23 HN GLU 23 -10.752 -6.900 -10.326 171 HA GLU 23 HA GLU 23 -12.476 -9.245 -10.732 172 1HB GLU 23 HB3 GLU 23 -9.674 -9.050 -9.597 173 2HB GLU 23 HB2 GLU 23 -10.711 -10.427 -9.262 174 1HG GLU 23 HG2 GLU 23 -9.411 -11.157 -11.020 175 2HG GLU 23 HG3 GLU 23 -10.890 -10.632 -11.824 176 HA PRO 24 HA PRO 24 -14.878 -6.818 -7.724 177 1HB PRO 24 HB2 PRO 24 -15.415 -9.723 -7.215 178 2HB PRO 24 HB3 PRO 24 -16.547 -8.367 -7.310 179 1HG PRO 24 HG2 PRO 24 -15.785 -10.064 -9.441 180 2HG PRO 24 HG3 PRO 24 -16.682 -8.543 -9.575 181 1HD PRO 24 HD2 PRO 24 -14.140 -9.002 -10.615 182 2HD PRO 24 HD3 PRO 24 -14.836 -7.398 -10.290 183 HA PRO 25 HA PRO 25 -12.955 -7.508 -3.760 184 1HB PRO 25 HB3 PRO 25 -13.731 -9.645 -2.185 185 2HB PRO 25 HB2 PRO 25 -14.566 -8.108 -2.305 186 1HG PRO 25 HG2 PRO 25 -15.502 -10.653 -3.174 187 2HG PRO 25 HG3 PRO 25 -16.289 -9.085 -3.411 188 1HD PRO 25 HD3 PRO 25 -14.626 -10.668 -5.286 189 2HD PRO 25 HD2 PRO 25 -15.913 -9.491 -5.630 190 H LYS 26 HN LYS 26 -10.842 -7.883 -3.520 191 HA LYS 26 HA LYS 26 -9.842 -10.627 -3.676 192 1HB LYS 26 HB2 LYS 26 -9.666 -9.752 -5.926 193 2HB LYS 26 HB3 LYS 26 -8.869 -8.301 -5.343 194 1HG LYS 26 HG3 LYS 26 -6.892 -9.524 -4.784 195 2HG LYS 26 HG2 LYS 26 -7.700 -11.063 -5.089 196 1HD LYS 26 HD3 LYS 26 -6.143 -10.193 -6.911 197 2HD LYS 26 HD2 LYS 26 -7.756 -10.705 -7.412 198 1HE LYS 26 HE3 LYS 26 -8.511 -8.411 -7.467 199 2HE LYS 26 HE2 LYS 26 -6.968 -7.853 -6.826 200 1HZ LYS 26 HZ1 LYS 26 -7.624 -8.009 -9.461 201 2HZ LYS 26 HZ2 LYS 26 -6.673 -9.386 -9.237 202 3HZ LYS 26 HZ3 LYS 26 -6.053 -7.859 -8.843 203 H LEU 27 HN LEU 27 -8.271 -11.061 -2.277 204 HA LEU 27 HA LEU 27 -7.569 -9.080 -0.338 205 1HB LEU 27 HB3 LEU 27 -7.994 -11.358 0.369 206 2HB LEU 27 HB2 LEU 27 -6.720 -11.953 -0.675 207 HG LEU 27 HG LEU 27 -5.900 -9.993 1.393 208 1HD1 LEU 27 HD11 LEU 27 -5.938 -11.497 3.202 209 2HD1 LEU 27 HD12 LEU 27 -7.555 -11.590 2.504 210 3HD1 LEU 27 HD13 LEU 27 -6.374 -12.860 2.172 211 1HD2 LEU 27 HD21 LEU 27 -4.486 -11.241 -0.351 212 2HD2 LEU 27 HD22 LEU 27 -3.900 -11.175 1.311 213 3HD2 LEU 27 HD23 LEU 27 -4.680 -12.639 0.708 214 H ARG 28 HN ARG 28 -5.623 -8.165 0.050 215 HA ARG 28 HA ARG 28 -3.411 -8.692 -1.769 216 1HB ARG 28 HB2 ARG 28 -3.182 -6.307 -2.338 217 2HB ARG 28 HB3 ARG 28 -4.720 -6.947 -2.909 218 1HG ARG 28 HG2 ARG 28 -5.918 -5.856 -1.196 219 2HG ARG 28 HG3 ARG 28 -4.448 -5.511 -0.288 220 1HD ARG 28 HD2 ARG 28 -4.859 -3.468 -1.213 221 2HD ARG 28 HD3 ARG 28 -3.793 -4.170 -2.426 222 HE ARG 28 HE ARG 28 -5.462 -3.851 -3.912 223 1HH1 ARG 28 HH12 ARG 28 -8.040 -5.611 -2.083 224 2HH1 ARG 28 HH11 ARG 28 -7.848 -4.349 -0.911 225 1HH2 ARG 28 HH21 ARG 28 -7.467 -3.128 -4.554 226 2HH2 ARG 28 HH22 ARG 28 -8.880 -3.542 -3.619 227 H TYR 29 HN TYR 29 -1.542 -8.610 -0.720 228 HA TYR 29 HA TYR 29 -1.505 -7.624 2.022 229 1HB TYR 29 HB2 TYR 29 0.458 -9.214 0.355 230 2HB TYR 29 HB3 TYR 29 0.905 -8.545 1.918 231 HD1 TYR 29 HD1 TYR 29 1.348 -11.245 1.960 232 HD2 TYR 29 HD2 TYR 29 -2.446 -9.335 2.216 233 HE1 TYR 29 HE1 TYR 29 0.418 -13.233 3.079 234 HE2 TYR 29 HE2 TYR 29 -3.373 -11.310 3.329 235 HH TYR 29 HH TYR 29 -2.046 -13.337 4.865 236 H VAL 30 HN VAL 30 -1.452 -5.423 1.932 237 HA VAL 30 HA VAL 30 0.115 -4.076 -0.057 238 HB VAL 30 HB VAL 30 -1.371 -2.880 2.281 239 1HG1 VAL 30 HG21 VAL 30 -1.389 -1.046 0.264 240 2HG1 VAL 30 HG22 VAL 30 -0.277 -1.032 1.633 241 3HG1 VAL 30 HG23 VAL 30 0.219 -1.750 0.100 242 1HG2 VAL 30 HG11 VAL 30 -2.308 -3.118 -0.572 243 2HG2 VAL 30 HG12 VAL 30 -2.766 -4.249 0.703 244 3HG2 VAL 30 HG13 VAL 30 -3.221 -2.548 0.825 245 H PHE 31 HN PHE 31 2.119 -3.554 0.059 246 HA PHE 31 HA PHE 31 3.411 -3.073 2.665 247 1HB PHE 31 HB3 PHE 31 4.775 -4.121 0.170 248 2HB PHE 31 HB2 PHE 31 5.483 -3.951 1.769 249 HD1 PHE 31 HD1 PHE 31 3.536 -6.034 -0.450 250 HD2 PHE 31 HD2 PHE 31 4.828 -5.516 3.573 251 HE1 PHE 31 HE1 PHE 31 2.994 -8.384 0.022 252 HE2 PHE 31 HE2 PHE 31 4.283 -7.866 4.051 253 HZ PHE 31 HZ PHE 31 3.368 -9.304 2.276 254 H LEU 32 HN LEU 32 3.989 -0.941 2.815 255 HA LEU 32 HA LEU 32 4.216 0.525 0.284 256 1HB LEU 32 HB2 LEU 32 4.345 1.879 2.938 257 2HB LEU 32 HB3 LEU 32 3.810 2.502 1.389 258 HG LEU 32 HG LEU 32 2.236 0.532 3.043 259 1HD1 LEU 32 HD11 LEU 32 2.236 2.477 4.342 260 2HD1 LEU 32 HD12 LEU 32 2.306 3.528 2.927 261 3HD1 LEU 32 HD13 LEU 32 0.807 2.693 3.329 262 1HD2 LEU 32 HD21 LEU 32 0.439 0.980 1.556 263 2HD2 LEU 32 HD22 LEU 32 1.321 2.294 0.780 264 3HD2 LEU 32 HD23 LEU 32 1.837 0.623 0.544 265 H PHE 33 HN PHE 33 6.121 1.220 -0.425 266 HA PHE 33 HA PHE 33 8.416 1.125 1.424 267 1HB PHE 33 HB3 PHE 33 8.394 0.596 -1.570 268 2HB PHE 33 HB2 PHE 33 9.831 0.611 -0.556 269 HD1 PHE 33 HD1 PHE 33 9.241 -1.681 -2.246 270 HD2 PHE 33 HD2 PHE 33 7.902 -0.807 1.700 271 HE1 PHE 33 HE1 PHE 33 8.941 -4.086 -1.817 272 HE2 PHE 33 HE2 PHE 33 7.584 -3.215 2.132 273 HZ PHE 33 HZ PHE 33 8.113 -4.856 0.371 274 H ARG 34 HN ARG 34 10.259 2.677 0.319 275 HA ARG 34 HA ARG 34 8.844 5.190 0.150 276 1HB ARG 34 HB3 ARG 34 10.998 6.295 0.190 277 2HB ARG 34 HB2 ARG 34 10.892 5.111 1.478 278 1HG ARG 34 HG2 ARG 34 12.261 3.570 0.135 279 2HG ARG 34 HG3 ARG 34 12.423 4.832 -1.093 280 1HD ARG 34 HD3 ARG 34 13.314 6.328 0.710 281 2HD ARG 34 HD2 ARG 34 13.330 4.926 1.775 282 HE ARG 34 HE ARG 34 14.779 4.230 -0.494 283 1HH1 ARG 34 HH12 ARG 34 15.338 6.936 1.945 284 2HH1 ARG 34 HH11 ARG 34 16.119 5.594 2.733 285 1HH2 ARG 34 HH21 ARG 34 17.345 4.078 0.275 286 2HH2 ARG 34 HH22 ARG 34 17.645 5.733 -0.174 287 H ASN 35 HN ASN 35 8.418 6.338 -1.555 288 HA ASN 35 HA ASN 35 8.303 7.100 -3.683 289 1HB ASN 35 HB2 ASN 35 10.891 6.381 -3.635 290 2HB ASN 35 HB3 ASN 35 10.299 5.223 -4.821 291 1HD2 ASN 35 HD21 ASN 35 12.036 7.659 -4.935 292 2HD2 ASN 35 HD22 ASN 35 11.429 8.480 -6.327 293 H LYS 36 HN LYS 36 7.013 4.457 -2.600 294 HA LYS 36 HA LYS 36 5.430 3.971 -4.834 295 1HB LYS 36 HB2 LYS 36 6.117 1.832 -5.636 296 2HB LYS 36 HB3 LYS 36 7.514 2.899 -5.704 297 1HG LYS 36 HG2 LYS 36 8.587 1.830 -3.955 298 2HG LYS 36 HG3 LYS 36 7.092 1.138 -3.322 299 1HD LYS 36 HD3 LYS 36 8.438 -0.594 -4.361 300 2HD LYS 36 HD2 LYS 36 6.965 -0.329 -5.303 301 1HE LYS 36 HE3 LYS 36 8.216 1.064 -6.867 302 2HE LYS 36 HE2 LYS 36 9.680 0.831 -5.913 303 1HZ LYS 36 HZ1 LYS 36 8.616 -1.690 -6.532 304 2HZ LYS 36 HZ2 LYS 36 10.089 -1.014 -7.032 305 3HZ LYS 36 HZ3 LYS 36 8.693 -0.783 -7.965 306 H ILE 37 HN ILE 37 4.129 1.951 -4.631 307 HA ILE 37 HA ILE 37 3.829 0.991 -1.856 308 HB ILE 37 HB ILE 37 1.575 1.991 -3.616 309 1HG1 ILE 37 HG12 ILE 37 2.478 2.744 -0.828 310 2HG1 ILE 37 HG13 ILE 37 2.692 3.714 -2.281 311 1HG2 ILE 37 HG21 ILE 37 0.101 1.183 -1.718 312 2HG2 ILE 37 HG22 ILE 37 0.810 -0.078 -2.727 313 3HG2 ILE 37 HG23 ILE 37 1.494 0.268 -1.138 314 1HD1 ILE 37 HD11 ILE 37 0.223 3.864 -2.475 315 2HD1 ILE 37 HD12 ILE 37 0.099 3.030 -0.923 316 3HD1 ILE 37 HD13 ILE 37 0.879 4.606 -1.016 317 H MET 38 HN MET 38 4.298 -1.113 -2.068 318 HA MET 38 HA MET 38 3.421 -2.495 -4.511 319 1HB MET 38 HB2 MET 38 5.804 -2.447 -4.396 320 2HB MET 38 HB3 MET 38 5.794 -2.940 -2.710 321 1HG MET 38 HG3 MET 38 4.908 -5.130 -3.371 322 2HG MET 38 HG2 MET 38 4.998 -4.640 -5.061 323 1HE MET 38 HE1 MET 38 5.863 -7.021 -4.644 324 2HE MET 38 HE2 MET 38 7.346 -6.964 -5.593 325 3HE MET 38 HE3 MET 38 7.405 -7.435 -3.895 326 H PHE 39 HN PHE 39 1.818 -3.853 -4.288 327 HA PHE 39 HA PHE 39 1.687 -5.452 -1.840 328 1HB PHE 39 HB3 PHE 39 -0.825 -5.395 -2.032 329 2HB PHE 39 HB2 PHE 39 -0.077 -3.876 -1.557 330 HD1 PHE 39 HD1 PHE 39 0.136 -2.034 -3.201 331 HD2 PHE 39 HD2 PHE 39 -2.120 -5.552 -4.013 332 HE1 PHE 39 HE1 PHE 39 -1.020 -0.868 -5.030 333 HE2 PHE 39 HE2 PHE 39 -3.267 -4.394 -5.859 334 HZ PHE 39 HZ PHE 39 -2.719 -2.047 -6.368 335 H THR 40 HN THR 40 0.404 -7.437 -2.133 336 HA THR 40 HA THR 40 0.694 -8.501 -4.873 337 HB THR 40 HB THR 40 1.033 -10.174 -2.394 338 HG1 THR 40 HG1 THR 40 2.587 -8.158 -3.036 339 1HG2 THR 40 HG21 THR 40 1.270 -11.762 -3.928 340 2HG2 THR 40 HG22 THR 40 2.814 -11.007 -4.322 341 3HG2 THR 40 HG23 THR 40 1.369 -10.590 -5.244 342 H GLU 41 HN GLU 41 -1.071 -9.456 -5.707 343 HA GLU 41 HA GLU 41 -3.501 -9.465 -4.152 344 1HB GLU 41 HB3 GLU 41 -3.163 -10.457 -6.976 345 2HB GLU 41 HB2 GLU 41 -4.625 -9.853 -6.210 346 1HG GLU 41 HG2 GLU 41 -3.661 -7.615 -6.127 347 2HG GLU 41 HG3 GLU 41 -2.190 -8.225 -6.888 348 H GLN 42 HN GLN 42 -4.581 -11.176 -3.381 349 HA GLN 42 HA GLN 42 -3.898 -13.886 -4.209 350 1HB GLN 42 HB2 GLN 42 -3.751 -12.991 -1.312 351 2HB GLN 42 HB3 GLN 42 -3.618 -14.651 -1.867 352 1HG GLN 42 HG3 GLN 42 -1.567 -13.981 -3.126 353 2HG GLN 42 HG2 GLN 42 -1.676 -12.404 -2.344 354 1HE2 GLN 42 HE21 GLN 42 -0.023 -15.114 -2.224 355 2HE2 GLN 42 HE22 GLN 42 0.197 -15.349 -0.526 356 H ASP 43 HN ASP 43 -5.794 -15.092 -4.301 357 HA ASP 43 HA ASP 43 -8.158 -13.841 -3.074 358 1HB ASP 43 HB2 ASP 43 -8.039 -14.431 -5.592 359 2HB ASP 43 HB3 ASP 43 -8.244 -16.100 -5.076 360 H ALA 44 HN ALA 44 -9.840 -15.568 -2.325 361 HA ALA 44 HA ALA 44 -8.923 -16.810 -0.053 362 1HB ALA 44 HB1 ALA 44 -11.056 -18.177 -0.187 363 2HB ALA 44 HB2 ALA 44 -11.245 -16.424 -0.273 364 3HB ALA 44 HB3 ALA 44 -11.343 -17.391 -1.740 365 H SER 45 HN SER 45 -7.357 -18.282 0.064 366 HA SER 45 HA SER 45 -6.161 -20.174 -0.170 367 1HB SER 45 HB2 SER 45 -8.328 -21.275 0.302 368 2HB SER 45 HB3 SER 45 -8.667 -21.320 -1.427 369 HG SER 45 HG SER 45 -7.686 -23.188 -1.304 370 H THR 46 HN THR 46 -8.056 -20.736 -3.094 371 HA THR 46 HA THR 46 -5.707 -20.011 -4.690 372 HB THR 46 HB THR 46 -6.595 -21.881 -6.279 373 HG1 THR 46 HG1 THR 46 -7.772 -23.449 -5.367 374 1HG2 THR 46 HG21 THR 46 -4.445 -22.144 -5.336 375 2HG2 THR 46 HG22 THR 46 -5.324 -23.645 -5.049 376 3HG2 THR 46 HG23 THR 46 -5.111 -22.484 -3.740 377 H SER 47 HN SER 47 -9.080 -21.031 -5.191 378 HA SER 47 HA SER 47 -10.833 -20.114 -6.280 379 1HB SER 47 HB3 SER 47 -10.678 -18.397 -4.602 380 2HB SER 47 HB2 SER 47 -9.398 -17.570 -5.484 381 HG SER 47 HG SER 47 -10.977 -16.458 -6.292 382 HA PRO 48 HA PRO 48 -10.006 -19.985 -10.599 383 1HB PRO 48 HB2 PRO 48 -12.239 -18.006 -10.664 384 2HB PRO 48 HB3 PRO 48 -11.984 -19.448 -11.655 385 1HG PRO 48 HG2 PRO 48 -13.732 -19.474 -9.651 386 2HG PRO 48 HG3 PRO 48 -12.707 -20.883 -9.974 387 1HD PRO 48 HD2 PRO 48 -12.510 -18.846 -7.808 388 2HD PRO 48 HD3 PRO 48 -12.094 -20.571 -7.776 389 HA PRO 49 HA PRO 49 -9.355 -15.243 -11.411 390 1HB PRO 49 HB2 PRO 49 -9.696 -14.022 -8.734 391 2HB PRO 49 HB3 PRO 49 -10.270 -13.460 -10.310 392 1HG PRO 49 HG3 PRO 49 -11.973 -14.467 -8.519 393 2HG PRO 49 HG2 PRO 49 -12.156 -14.805 -10.252 394 1HD PRO 49 HD3 PRO 49 -10.983 -16.544 -8.101 395 2HD PRO 49 HD2 PRO 49 -12.101 -16.980 -9.411 396 H SER 50 HN SER 50 -8.622 -15.950 -8.001 397 HA SER 50 HA SER 50 -6.704 -16.122 -6.818 398 1HB SER 50 HB2 SER 50 -5.394 -16.473 -9.530 399 2HB SER 50 HB3 SER 50 -4.620 -16.779 -7.976 400 HG SER 50 HG SER 50 -6.935 -18.112 -8.052 401 H TYR 51 HN TYR 51 -4.939 -14.720 -9.497 402 HA TYR 51 HA TYR 51 -5.096 -12.054 -8.340 403 1HB TYR 51 HB2 TYR 51 -2.748 -11.746 -8.138 404 2HB TYR 51 HB3 TYR 51 -3.100 -13.262 -7.319 405 HD1 TYR 51 HD1 TYR 51 -3.063 -15.327 -9.238 406 HD2 TYR 51 HD2 TYR 51 -0.763 -11.752 -9.202 407 HE1 TYR 51 HE1 TYR 51 -1.335 -16.434 -10.591 408 HE2 TYR 51 HE2 TYR 51 0.973 -12.840 -10.551 409 HH TYR 51 HH TYR 51 1.685 -14.754 -11.469 410 H THR 52 HN THR 52 -4.096 -10.442 -9.826 411 HA THR 52 HA THR 52 -4.553 -11.307 -12.594 412 HB THR 52 HB THR 52 -4.273 -8.461 -11.619 413 HG1 THR 52 HG1 THR 52 -6.811 -8.973 -11.956 414 1HG2 THR 52 HG21 THR 52 -4.235 -8.973 -14.080 415 2HG2 THR 52 HG22 THR 52 -5.483 -7.847 -13.542 416 3HG2 THR 52 HG23 THR 52 -5.900 -9.523 -13.903 417 H HIS 53 HN HIS 53 -2.430 -9.258 -10.667 418 HA HIS 53 HA HIS 53 -0.025 -10.315 -11.823 419 1HB HIS 53 HB3 HIS 53 -0.950 -7.524 -12.513 420 2HB HIS 53 HB2 HIS 53 0.760 -7.935 -12.471 421 HD1 HIS 53 HD1 HIS 53 1.146 -10.336 -14.065 422 HD2 HIS 53 HD2 HIS 53 -1.882 -7.632 -14.986 423 HE1 HIS 53 HE1 HIS 53 0.566 -10.753 -16.477 424 HE2 HIS 53 HE2 HIS 53 -1.373 -9.214 -16.959 425 H TYR 54 HN TYR 54 1.801 -8.531 -10.969 426 HA TYR 54 HA TYR 54 1.145 -8.262 -8.121 427 1HB TYR 54 HB2 TYR 54 3.794 -8.138 -9.591 428 2HB TYR 54 HB3 TYR 54 3.615 -7.748 -7.884 429 HD1 TYR 54 HD1 TYR 54 5.524 -9.741 -8.453 430 HD2 TYR 54 HD2 TYR 54 1.309 -10.202 -8.138 431 HE1 TYR 54 HE1 TYR 54 5.829 -12.105 -7.837 432 HE2 TYR 54 HE2 TYR 54 1.602 -12.567 -7.539 433 HH TYR 54 HH TYR 54 3.024 -14.228 -7.205 434 H SER 55 HN SER 55 -0.345 -6.618 -8.792 435 HA SER 55 HA SER 55 0.147 -4.298 -10.113 436 1HB SER 55 HB3 SER 55 -1.615 -4.651 -7.678 437 2HB SER 55 HB2 SER 55 -1.730 -3.332 -8.845 438 HG SER 55 HG SER 55 -3.151 -5.298 -9.104 439 H SER 56 HN SER 56 1.373 -2.597 -9.874 440 HA SER 56 HA SER 56 2.518 -2.025 -7.218 441 1HB SER 56 HB2 SER 56 4.171 -2.705 -8.970 442 2HB SER 56 HB3 SER 56 3.672 -1.318 -9.936 443 HG SER 56 HG SER 56 5.595 -1.086 -8.507 444 H ILE 57 HN ILE 57 2.346 0.030 -6.424 445 HA ILE 57 HA ILE 57 0.709 1.870 -8.035 446 HB ILE 57 HB ILE 57 0.820 1.466 -5.058 447 1HG1 ILE 57 HG12 ILE 57 -0.703 0.032 -6.342 448 2HG1 ILE 57 HG13 ILE 57 -1.583 1.128 -5.285 449 1HG2 ILE 57 HG21 ILE 57 -0.655 3.410 -4.805 450 2HG2 ILE 57 HG22 ILE 57 0.915 3.872 -5.462 451 3HG2 ILE 57 HG23 ILE 57 -0.486 3.757 -6.526 452 1HD1 ILE 57 HD11 ILE 57 -2.457 2.324 -7.023 453 2HD1 ILE 57 HD12 ILE 57 -1.128 1.923 -8.115 454 3HD1 ILE 57 HD13 ILE 57 -2.352 0.714 -7.742 455 H ARG 58 HN ARG 58 1.408 3.766 -8.448 456 HA ARG 58 HA ARG 58 4.136 4.491 -7.825 457 1HB ARG 58 HB3 ARG 58 2.908 4.876 -10.052 458 2HB ARG 58 HB2 ARG 58 2.142 6.206 -9.195 459 1HG ARG 58 HG3 ARG 58 4.288 6.580 -10.659 460 2HG ARG 58 HG2 ARG 58 3.954 7.511 -9.199 461 1HD ARG 58 HD2 ARG 58 5.364 6.058 -7.905 462 2HD ARG 58 HD3 ARG 58 5.662 5.038 -9.318 463 HE ARG 58 HE ARG 58 6.411 7.642 -9.979 464 1HH1 ARG 58 HH12 ARG 58 8.118 5.676 -7.204 465 2HH1 ARG 58 HH11 ARG 58 8.592 4.869 -8.672 466 1HH2 ARG 58 HH22 ARG 58 8.783 8.533 -8.916 467 2HH2 ARG 58 HH21 ARG 58 9.662 7.226 -9.659 468 H LEU 59 HN LEU 59 4.630 5.470 -6.105 469 HA LEU 59 HA LEU 59 2.712 7.109 -4.610 470 1HB LEU 59 HB2 LEU 59 3.887 5.143 -3.525 471 2HB LEU 59 HB3 LEU 59 5.386 6.023 -3.725 472 HG LEU 59 HG LEU 59 4.325 7.859 -2.305 473 1HD1 LEU 59 HD11 LEU 59 2.659 6.124 -0.809 474 2HD1 LEU 59 HD12 LEU 59 2.235 7.625 -1.638 475 3HD1 LEU 59 HD13 LEU 59 2.128 6.093 -2.494 476 1HD2 LEU 59 HD21 LEU 59 4.978 5.149 -1.161 477 2HD2 LEU 59 HD22 LEU 59 6.097 6.479 -1.465 478 3HD2 LEU 59 HD23 LEU 59 4.871 6.634 -0.211 479 H ASP 60 HN ASP 60 3.622 8.345 -6.829 480 HA ASP 60 HA ASP 60 5.668 10.232 -5.851 481 1HB ASP 60 HB2 ASP 60 6.276 8.607 -7.742 482 2HB ASP 60 HB3 ASP 60 5.192 9.577 -8.720 483 H LYS 61 HN LYS 61 3.090 9.867 -8.280 484 HA LYS 61 HA LYS 61 2.086 12.541 -7.610 485 1HB LYS 61 HB2 LYS 61 2.588 11.583 -10.436 486 2HB LYS 61 HB3 LYS 61 1.913 13.136 -9.967 487 1HG LYS 61 HG2 LYS 61 3.972 13.886 -9.104 488 2HG LYS 61 HG3 LYS 61 4.670 12.265 -9.162 489 1HD LYS 61 HD2 LYS 61 3.791 13.829 -11.587 490 2HD LYS 61 HD3 LYS 61 5.451 13.765 -10.991 491 1HE LYS 61 HE2 LYS 61 5.620 11.446 -11.431 492 2HE LYS 61 HE3 LYS 61 3.885 11.298 -11.703 493 1HZ LYS 61 HZ1 LYS 61 4.068 12.007 -13.804 494 2HZ LYS 61 HZ2 LYS 61 5.691 11.543 -13.653 495 3HZ LYS 61 HZ3 LYS 61 5.255 13.171 -13.448 496 H TYR 62 HN TYR 62 0.551 10.892 -6.563 497 HA TYR 62 HA TYR 62 -1.581 10.309 -8.504 498 1HB TYR 62 HB3 TYR 62 -1.957 8.108 -7.734 499 2HB TYR 62 HB2 TYR 62 -0.205 8.217 -7.896 500 HD1 TYR 62 HD1 TYR 62 -2.811 7.146 -5.814 501 HD2 TYR 62 HD2 TYR 62 1.045 8.951 -5.673 502 HE1 TYR 62 HE1 TYR 62 -2.564 6.430 -3.479 503 HE2 TYR 62 HE2 TYR 62 1.298 8.236 -3.334 504 HH TYR 62 HH TYR 62 -0.106 7.603 -1.441 505 H ASN 63 HN ASN 63 -3.749 10.072 -7.448 506 HA ASN 63 HA ASN 63 -3.855 11.883 -5.146 507 1HB ASN 63 HB2 ASN 63 -5.064 12.606 -7.144 508 2HB ASN 63 HB3 ASN 63 -6.030 11.136 -7.093 509 1HD2 ASN 63 HD21 ASN 63 -7.952 11.448 -6.297 510 2HD2 ASN 63 HD22 ASN 63 -8.412 12.711 -5.225 511 H ILE 64 HN ILE 64 -3.929 10.856 -3.312 512 HA ILE 64 HA ILE 64 -5.657 8.480 -3.078 513 HB ILE 64 HB ILE 64 -3.227 8.111 -2.573 514 1HG1 ILE 64 HG12 ILE 64 -4.957 7.711 -0.136 515 2HG1 ILE 64 HG13 ILE 64 -5.204 6.807 -1.627 516 1HG2 ILE 64 HG21 ILE 64 -2.202 8.995 -0.637 517 2HG2 ILE 64 HG22 ILE 64 -2.924 10.369 -1.478 518 3HG2 ILE 64 HG23 ILE 64 -3.717 9.687 -0.060 519 1HD1 ILE 64 HD11 ILE 64 -2.448 6.791 -0.662 520 2HD1 ILE 64 HD12 ILE 64 -3.610 6.030 0.426 521 3HD1 ILE 64 HD13 ILE 64 -3.462 5.467 -1.238 522 H ARG 65 HN ARG 65 -7.223 8.449 -1.487 523 HA ARG 65 HA ARG 65 -7.491 10.878 0.155 524 1HB ARG 65 HB3 ARG 65 -9.670 9.540 -1.461 525 2HB ARG 65 HB2 ARG 65 -9.946 10.815 -0.289 526 1HG ARG 65 HG2 ARG 65 -8.205 11.184 -2.710 527 2HG ARG 65 HG3 ARG 65 -9.943 11.488 -2.712 528 1HD ARG 65 HD2 ARG 65 -8.877 13.572 -2.346 529 2HD ARG 65 HD3 ARG 65 -9.580 13.075 -0.810 530 HE ARG 65 HE ARG 65 -6.890 12.223 -0.938 531 1HH1 ARG 65 HH12 ARG 65 -8.110 15.563 -1.216 532 2HH1 ARG 65 HH11 ARG 65 -7.902 15.797 0.488 533 1HH2 ARG 65 HH22 ARG 65 -5.096 13.793 -0.141 534 2HH2 ARG 65 HH21 ARG 65 -5.816 14.599 1.228 535 H GLN 66 HN GLN 66 -9.337 10.520 1.794 536 HA GLN 66 HA GLN 66 -9.677 7.767 2.612 537 1HB GLN 66 HB3 GLN 66 -8.945 8.388 4.992 538 2HB GLN 66 HB2 GLN 66 -7.685 8.056 3.812 539 1HG GLN 66 HG3 GLN 66 -6.765 9.959 4.482 540 2HG GLN 66 HG2 GLN 66 -8.054 10.776 3.599 541 1HE2 GLN 66 HE21 GLN 66 -6.560 10.495 6.530 542 2HE2 GLN 66 HE22 GLN 66 -7.706 11.410 7.435 543 H HIS 67 HN HIS 67 -11.590 7.443 3.599 544 HA HIS 67 HA HIS 67 -13.142 9.847 4.312 545 1HB HIS 67 HB3 HIS 67 -14.066 7.278 3.006 546 2HB HIS 67 HB2 HIS 67 -15.156 8.515 3.624 547 HD1 HIS 67 HD1 HIS 67 -14.950 10.923 2.407 548 HD2 HIS 67 HD2 HIS 67 -13.156 7.706 0.471 549 HE1 HIS 67 HE1 HIS 67 -14.538 11.693 0.044 550 HE2 HIS 67 HE2 HIS 67 -13.287 9.793 -1.053 551 H THR 68 HN THR 68 -13.150 9.884 6.465 552 HA THR 68 HA THR 68 -13.384 7.369 7.938 553 HB THR 68 HB THR 68 -12.931 9.049 9.895 554 HG1 THR 68 HG1 THR 68 -13.061 10.994 8.961 555 1HG2 THR 68 HG21 THR 68 -10.844 8.291 9.886 556 2HG2 THR 68 HG22 THR 68 -10.484 9.054 8.339 557 3HG2 THR 68 HG23 THR 68 -11.259 7.470 8.379 558 H THR 69 HN THR 69 -14.369 9.507 10.113 559 HA THR 69 HA THR 69 -16.315 10.187 11.054 560 HB THR 69 HB THR 69 -17.651 9.706 8.392 561 HG1 THR 69 HG1 THR 69 -17.149 12.148 8.353 562 1HG2 THR 69 HG21 THR 69 -19.438 10.370 9.580 563 2HG2 THR 69 HG22 THR 69 -18.735 11.970 9.359 564 3HG2 THR 69 HG23 THR 69 -18.460 11.083 10.860 565 H ASP 70 HN ASP 70 -16.787 7.426 8.895 566 HA ASP 70 HA ASP 70 -18.368 6.136 11.027 567 1HB ASP 70 HB2 ASP 70 -19.699 6.375 9.018 568 2HB ASP 70 HB3 ASP 70 -18.420 5.666 8.035 569 H GLU 71 HN GLU 71 -16.223 5.311 8.332 570 HA GLU 71 HA GLU 71 -14.608 3.625 10.082 571 1HB GLU 71 HB3 GLU 71 -16.374 2.156 8.994 572 2HB GLU 71 HB2 GLU 71 -15.671 2.602 7.448 573 1HG GLU 71 HG3 GLU 71 -13.521 1.623 8.183 574 2HG GLU 71 HG2 GLU 71 -14.331 1.063 9.647 575 H ASP 72 HN ASP 72 -12.475 3.719 9.476 576 HA ASP 72 HA ASP 72 -11.700 5.733 7.659 577 1HB ASP 72 HB2 ASP 72 -9.355 4.699 8.040 578 2HB ASP 72 HB3 ASP 72 -10.176 5.502 9.366 579 H THR 73 HN THR 73 -12.481 5.334 5.693 580 HA THR 73 HA THR 73 -11.677 2.911 4.277 581 HB THR 73 HB THR 73 -13.573 5.145 3.530 582 HG1 THR 73 HG1 THR 73 -14.092 3.741 5.372 583 1HG2 THR 73 HG21 THR 73 -12.501 3.455 1.744 584 2HG2 THR 73 HG22 THR 73 -14.136 4.104 1.628 585 3HG2 THR 73 HG23 THR 73 -13.872 2.494 2.298 586 H ILE 74 HN ILE 74 -9.799 2.974 3.210 587 HA ILE 74 HA ILE 74 -8.740 5.536 2.287 588 HB ILE 74 HB ILE 74 -7.432 2.806 2.273 589 1HG1 ILE 74 HG12 ILE 74 -7.864 3.580 4.569 590 2HG1 ILE 74 HG13 ILE 74 -6.142 3.603 4.204 591 1HG2 ILE 74 HG21 ILE 74 -6.479 5.547 1.551 592 2HG2 ILE 74 HG22 ILE 74 -5.349 4.322 2.128 593 3HG2 ILE 74 HG23 ILE 74 -6.295 4.030 0.669 594 1HD1 ILE 74 HD11 ILE 74 -7.427 5.603 5.396 595 2HD1 ILE 74 HD12 ILE 74 -5.997 5.829 4.389 596 3HD1 ILE 74 HD13 ILE 74 -7.603 6.102 3.713 597 H VAL 75 HN VAL 75 -8.835 6.136 0.173 598 HA VAL 75 HA VAL 75 -9.178 4.054 -1.865 599 HB VAL 75 HB VAL 75 -10.721 5.397 -3.093 600 1HG1 VAL 75 HG11 VAL 75 -11.585 4.026 -1.137 601 2HG1 VAL 75 HG12 VAL 75 -11.787 5.568 -0.307 602 3HG1 VAL 75 HG13 VAL 75 -12.662 5.252 -1.807 603 1HG2 VAL 75 HG21 VAL 75 -9.942 7.588 -2.756 604 2HG2 VAL 75 HG22 VAL 75 -11.604 7.543 -2.154 605 3HG2 VAL 75 HG23 VAL 75 -10.255 7.500 -1.018 606 H LEU 76 HN LEU 76 -8.558 4.872 -4.058 607 HA LEU 76 HA LEU 76 -6.776 7.152 -4.048 608 1HB LEU 76 HB3 LEU 76 -4.921 5.921 -5.038 609 2HB LEU 76 HB2 LEU 76 -5.281 5.395 -3.406 610 HG LEU 76 HG LEU 76 -6.479 3.914 -5.676 611 1HD1 LEU 76 HD21 LEU 76 -4.355 2.466 -5.560 612 2HD1 LEU 76 HD22 LEU 76 -4.302 3.966 -6.489 613 3HD1 LEU 76 HD23 LEU 76 -3.600 3.905 -4.874 614 1HD2 LEU 76 HD11 LEU 76 -5.604 3.290 -2.873 615 2HD2 LEU 76 HD12 LEU 76 -7.207 3.135 -3.594 616 3HD2 LEU 76 HD13 LEU 76 -5.930 2.011 -4.044 617 H GLN 77 HN GLN 77 -6.819 8.252 -5.857 618 HA GLN 77 HA GLN 77 -8.184 7.041 -8.174 619 1HB GLN 77 HB2 GLN 77 -8.123 9.915 -7.216 620 2HB GLN 77 HB3 GLN 77 -8.843 9.393 -8.737 621 1HG GLN 77 HG2 GLN 77 -10.544 8.212 -7.666 622 2HG GLN 77 HG3 GLN 77 -9.693 8.210 -6.123 623 1HE2 GLN 77 HE21 GLN 77 -12.054 9.671 -7.966 624 2HE2 GLN 77 HE22 GLN 77 -12.360 11.017 -6.914 625 HA PRO 78 HA PRO 78 -4.313 7.758 -10.255 626 1HB PRO 78 HB2 PRO 78 -5.075 7.030 -12.726 627 2HB PRO 78 HB3 PRO 78 -4.847 5.849 -11.432 628 1HG PRO 78 HG3 PRO 78 -7.379 7.052 -12.486 629 2HG PRO 78 HG2 PRO 78 -7.048 5.372 -12.030 630 1HD PRO 78 HD2 PRO 78 -8.359 7.155 -10.420 631 2HD PRO 78 HD3 PRO 78 -7.424 5.778 -9.804 632 H GLN 79 HN GLN 79 -3.402 9.520 -11.192 633 HA GLN 79 HA GLN 79 -5.162 11.365 -12.658 634 1HB GLN 79 HB2 GLN 79 -3.659 13.197 -11.910 635 2HB GLN 79 HB3 GLN 79 -4.484 12.406 -10.578 636 1HG GLN 79 HG3 GLN 79 -2.402 11.061 -10.218 637 2HG GLN 79 HG2 GLN 79 -1.613 12.111 -11.395 638 1HE2 GLN 79 HE21 GLN 79 -0.598 13.804 -10.601 639 2HE2 GLN 79 HE22 GLN 79 -0.917 14.564 -9.080 640 H GLU 80 HN GLU 80 -2.872 9.127 -12.934 641 HA GLU 80 HA GLU 80 -1.843 10.247 -15.440 642 1HB GLU 80 HB3 GLU 80 -0.276 8.587 -13.444 643 2HB GLU 80 HB2 GLU 80 0.295 9.053 -15.039 644 1HG GLU 80 HG3 GLU 80 -0.002 11.455 -14.270 645 2HG GLU 80 HG2 GLU 80 -0.166 10.791 -12.644 646 HA PRO 81 HA PRO 81 -3.892 6.569 -16.870 647 1HB PRO 81 HB3 PRO 81 -2.181 6.745 -19.254 648 2HB PRO 81 HB2 PRO 81 -3.937 6.843 -19.119 649 1HG PRO 81 HG3 PRO 81 -2.377 8.978 -19.667 650 2HG PRO 81 HG2 PRO 81 -3.923 9.100 -18.811 651 1HD PRO 81 HD3 PRO 81 -1.147 9.263 -17.759 652 2HD PRO 81 HD2 PRO 81 -2.619 10.077 -17.194 653 H GLY 82 HN GLY 82 -3.301 4.771 -15.831 654 1HA GLY 82 HA1 GLY 82 -1.855 2.751 -16.722 655 2HA GLY 82 HA2 GLY 82 -0.565 3.758 -16.079 656 H LEU 83 HN LEU 83 -2.513 4.736 -13.996 657 HA LEU 83 HA LEU 83 -2.080 2.517 -12.151 658 1HB LEU 83 HB3 LEU 83 -2.571 5.455 -11.770 659 2HB LEU 83 HB2 LEU 83 -2.694 4.324 -10.438 660 HG LEU 83 HG LEU 83 -0.228 4.984 -12.048 661 1HD1 LEU 83 HD21 LEU 83 -1.018 6.519 -10.186 662 2HD1 LEU 83 HD22 LEU 83 -0.678 5.182 -9.081 663 3HD1 LEU 83 HD23 LEU 83 0.622 5.884 -10.038 664 1HD2 LEU 83 HD11 LEU 83 0.915 3.232 -11.073 665 2HD2 LEU 83 HD12 LEU 83 -0.227 3.091 -9.737 666 3HD2 LEU 83 HD13 LEU 83 -0.665 2.499 -11.341 667 HA PRO 84 HA PRO 84 -6.448 1.792 -12.091 668 1HB PRO 84 HB2 PRO 84 -6.119 -0.236 -10.136 669 2HB PRO 84 HB3 PRO 84 -6.230 -0.451 -11.881 670 1HG PRO 84 HG2 PRO 84 -3.973 -0.957 -10.321 671 2HG PRO 84 HG3 PRO 84 -3.987 -0.758 -12.082 672 1HD PRO 84 HD2 PRO 84 -3.246 1.207 -9.958 673 2HD PRO 84 HD3 PRO 84 -2.571 0.991 -11.588 674 H SER 85 HN SER 85 -8.219 1.718 -10.467 675 HA SER 85 HA SER 85 -7.458 3.142 -8.004 676 1HB SER 85 HB3 SER 85 -9.818 4.134 -8.126 677 2HB SER 85 HB2 SER 85 -8.626 4.757 -9.263 678 HG SER 85 HG SER 85 -9.638 2.861 -10.602 679 H PHE 86 HN PHE 86 -7.599 1.792 -6.378 680 HA PHE 86 HA PHE 86 -9.887 -0.064 -6.303 681 1HB PHE 86 HB3 PHE 86 -8.558 -1.644 -5.088 682 2HB PHE 86 HB2 PHE 86 -7.674 -1.171 -6.528 683 HD1 PHE 86 HD1 PHE 86 -7.897 -0.532 -2.883 684 HD2 PHE 86 HD2 PHE 86 -5.483 -0.456 -6.380 685 HE1 PHE 86 HE1 PHE 86 -5.917 -0.104 -1.495 686 HE2 PHE 86 HE2 PHE 86 -3.493 -0.022 -4.998 687 HZ PHE 86 HZ PHE 86 -3.716 0.139 -2.540 688 H ARG 87 HN ARG 87 -10.191 -0.853 -3.891 689 HA ARG 87 HA ARG 87 -10.113 1.463 -2.081 690 1HB ARG 87 HB2 ARG 87 -12.516 -0.364 -2.309 691 2HB ARG 87 HB3 ARG 87 -12.382 1.108 -1.362 692 1HG ARG 87 HG3 ARG 87 -13.637 1.847 -3.119 693 2HG ARG 87 HG2 ARG 87 -12.017 2.216 -3.715 694 1HD ARG 87 HD3 ARG 87 -11.996 0.128 -4.976 695 2HD ARG 87 HD2 ARG 87 -13.597 -0.272 -4.357 696 HE ARG 87 HE ARG 87 -13.663 2.229 -5.690 697 1HH1 ARG 87 HH11 ARG 87 -14.722 -1.166 -6.338 698 2HH1 ARG 87 HH12 ARG 87 -13.579 -1.190 -7.654 699 1HH2 ARG 87 HH21 ARG 87 -13.988 1.775 -8.560 700 2HH2 ARG 87 HH22 ARG 87 -15.556 1.477 -7.853 701 H ILE 88 HN ILE 88 -9.414 0.931 -0.062 702 HA ILE 88 HA ILE 88 -9.379 -1.936 0.598 703 HB ILE 88 HB ILE 88 -7.430 -1.229 2.168 704 1HG1 ILE 88 HG12 ILE 88 -7.248 0.851 -0.022 705 2HG1 ILE 88 HG13 ILE 88 -7.560 1.176 1.682 706 1HG2 ILE 88 HG21 ILE 88 -6.342 -2.580 0.786 707 2HG2 ILE 88 HG22 ILE 88 -7.668 -2.403 -0.364 708 3HG2 ILE 88 HG23 ILE 88 -6.264 -1.330 -0.459 709 1HD1 ILE 88 HD11 ILE 88 -5.142 -0.381 1.248 710 2HD1 ILE 88 HD12 ILE 88 -5.109 1.196 0.454 711 3HD1 ILE 88 HD13 ILE 88 -5.394 1.088 2.193 712 H LYS 89 HN LYS 89 -10.486 -2.535 2.275 713 HA LYS 89 HA LYS 89 -11.325 -0.510 4.246 714 1HB LYS 89 HB2 LYS 89 -12.880 -2.916 3.259 715 2HB LYS 89 HB3 LYS 89 -13.450 -1.714 4.407 716 1HG LYS 89 HG3 LYS 89 -12.589 -0.789 1.723 717 2HG LYS 89 HG2 LYS 89 -14.128 -1.643 1.867 718 1HD LYS 89 HD3 LYS 89 -13.328 0.791 3.464 719 2HD LYS 89 HD2 LYS 89 -14.377 0.807 2.046 720 1HE LYS 89 HE3 LYS 89 -15.968 -0.649 3.220 721 2HE LYS 89 HE2 LYS 89 -14.923 -0.631 4.640 722 1HZ LYS 89 HZ1 LYS 89 -15.199 1.888 4.537 723 2HZ LYS 89 HZ2 LYS 89 -16.524 0.979 5.077 724 3HZ LYS 89 HZ3 LYS 89 -16.508 1.589 3.495 725 HA PRO 90 HA PRO 90 -9.633 -3.393 7.208 726 1HB PRO 90 HB3 PRO 90 -10.408 -1.757 9.366 727 2HB PRO 90 HB2 PRO 90 -8.859 -1.708 8.525 728 1HG PRO 90 HG3 PRO 90 -10.834 0.294 8.537 729 2HG PRO 90 HG2 PRO 90 -9.416 0.222 7.479 730 1HD PRO 90 HD2 PRO 90 -12.242 -0.525 6.928 731 2HD PRO 90 HD3 PRO 90 -11.006 0.106 5.821 732 H LYS 91 HN LYS 91 -11.685 -4.631 6.441 733 HA LYS 91 HA LYS 91 -14.040 -4.583 7.981 734 1HB LYS 91 HB2 LYS 91 -12.813 -6.683 6.206 735 2HB LYS 91 HB3 LYS 91 -14.360 -6.915 7.008 736 1HG LYS 91 HG3 LYS 91 -15.193 -4.864 5.861 737 2HG LYS 91 HG2 LYS 91 -13.672 -4.801 4.970 738 1HD LYS 91 HD3 LYS 91 -14.115 -6.972 3.991 739 2HD LYS 91 HD2 LYS 91 -15.594 -7.126 4.943 740 1HE LYS 91 HE3 LYS 91 -16.478 -5.105 3.797 741 2HE LYS 91 HE2 LYS 91 -15.038 -5.097 2.780 742 1HZ LYS 91 HZ1 LYS 91 -15.719 -6.931 1.632 743 2HZ LYS 91 HZ2 LYS 91 -17.233 -6.257 2.004 744 3HZ LYS 91 HZ3 LYS 91 -16.632 -7.555 2.916 745 H ASP 92 HN ASP 92 -11.284 -6.836 8.101 746 HA ASP 92 HA ASP 92 -11.548 -7.121 10.940 747 1HB ASP 92 HB3 ASP 92 -13.308 -8.638 9.823 748 2HB ASP 92 HB2 ASP 92 -11.941 -9.606 9.289 749 H PHE 93 HN PHE 93 -9.500 -7.190 11.598 750 HA PHE 93 HA PHE 93 -7.629 -9.076 10.591 751 1HB PHE 93 HB2 PHE 93 -7.594 -7.242 8.806 752 2HB PHE 93 HB3 PHE 93 -6.871 -6.203 10.031 753 HD1 PHE 93 HD1 PHE 93 -6.358 -9.732 8.926 754 HD2 PHE 93 HD2 PHE 93 -4.599 -5.942 9.736 755 HE1 PHE 93 HE1 PHE 93 -4.138 -10.650 8.394 756 HE2 PHE 93 HE2 PHE 93 -2.380 -6.853 9.189 757 HZ PHE 93 HZ PHE 93 -2.147 -9.206 8.522 758 H GLU 94 HN GLU 94 -8.274 -9.112 13.029 759 HA GLU 94 HA GLU 94 -7.596 -8.998 15.198 760 1HB GLU 94 HB2 GLU 94 -5.442 -9.601 13.866 761 2HB GLU 94 HB3 GLU 94 -4.940 -7.966 14.279 762 1HG GLU 94 HG3 GLU 94 -5.199 -8.471 16.643 763 2HG GLU 94 HG2 GLU 94 -5.725 -10.105 16.242 764 H THR 95 HN THR 95 -5.707 -7.223 16.466 765 HA THR 95 HA THR 95 -7.381 -4.857 16.643 766 HB THR 95 HB THR 95 -4.895 -5.322 18.266 767 HG1 THR 95 HG1 THR 95 -7.388 -6.668 18.509 768 1HG2 THR 95 HG21 THR 95 -7.013 -3.489 18.432 769 2HG2 THR 95 HG22 THR 95 -5.713 -3.753 19.592 770 3HG2 THR 95 HG23 THR 95 -7.233 -4.632 19.760 771 H SER 96 HN SER 96 -5.945 -5.195 14.270 772 HA SER 96 HA SER 96 -3.602 -3.533 14.249 773 1HB SER 96 HB3 SER 96 -5.221 -4.516 11.892 774 2HB SER 96 HB2 SER 96 -3.567 -3.902 11.860 775 HG SER 96 HG SER 96 -4.535 -6.374 12.611 776 H GLU 97 HN GLU 97 -6.477 -2.571 14.936 777 HA GLU 97 HA GLU 97 -7.089 -0.535 13.050 778 1HB GLU 97 HB2 GLU 97 -7.847 -0.615 15.975 779 2HB GLU 97 HB3 GLU 97 -8.677 0.253 14.687 780 1HG GLU 97 HG2 GLU 97 -9.390 -1.821 13.691 781 2HG GLU 97 HG3 GLU 97 -8.448 -2.741 14.863 782 H TYR 98 HN TYR 98 -5.110 -0.781 15.892 783 HA TYR 98 HA TYR 98 -4.666 1.924 16.440 784 1HB TYR 98 HB2 TYR 98 -3.994 -0.083 17.830 785 2HB TYR 98 HB3 TYR 98 -2.609 -0.261 16.767 786 HD1 TYR 98 HD1 TYR 98 -1.014 1.797 16.575 787 HD2 TYR 98 HD2 TYR 98 -3.885 1.302 19.678 788 HE1 TYR 98 HE1 TYR 98 0.205 3.426 17.961 789 HE2 TYR 98 HE2 TYR 98 -2.662 2.913 21.074 790 HH TYR 98 HH TYR 98 -0.064 3.747 21.119 791 H VAL 99 HN VAL 99 -2.632 -0.310 14.588 792 HA VAL 99 HA VAL 99 -0.945 1.753 13.587 793 HB VAL 99 HB VAL 99 -0.042 0.082 12.054 794 1HG1 VAL 99 HG11 VAL 99 -0.477 -0.664 14.907 795 2HG1 VAL 99 HG12 VAL 99 0.327 -1.805 13.829 796 3HG1 VAL 99 HG13 VAL 99 1.009 -0.197 14.080 797 1HG2 VAL 99 HG21 VAL 99 -2.290 -1.678 13.015 798 2HG2 VAL 99 HG22 VAL 99 -2.118 -0.996 11.397 799 3HG2 VAL 99 HG23 VAL 99 -0.956 -2.187 11.976 800 H ARG 100 HN ARG 100 -4.017 0.492 12.612 801 HA ARG 100 HA ARG 100 -3.984 1.249 9.891 802 1HB ARG 100 HB3 ARG 100 -5.663 -0.255 11.090 803 2HB ARG 100 HB2 ARG 100 -6.414 1.225 11.670 804 1HG ARG 100 HG3 ARG 100 -7.612 0.452 9.752 805 2HG ARG 100 HG2 ARG 100 -6.757 1.936 9.335 806 1HD ARG 100 HD2 ARG 100 -6.364 0.593 7.495 807 2HD ARG 100 HD3 ARG 100 -4.909 0.368 8.460 808 HE ARG 100 HE ARG 100 -6.872 -1.608 7.793 809 1HH1 ARG 100 HH12 ARG 100 -4.317 -1.588 10.692 810 2HH1 ARG 100 HH11 ARG 100 -3.534 -2.101 9.231 811 1HH2 ARG 100 HH21 ARG 100 -5.398 -4.017 8.459 812 2HH2 ARG 100 HH22 ARG 100 -6.465 -3.825 9.830 813 H LYS 101 HN LYS 101 -4.715 2.966 12.863 814 HA LYS 101 HA LYS 101 -5.837 5.285 11.683 815 1HB LYS 101 HB3 LYS 101 -5.523 4.416 14.236 816 2HB LYS 101 HB2 LYS 101 -4.257 5.634 14.143 817 1HG LYS 101 HG2 LYS 101 -6.052 6.840 14.908 818 2HG LYS 101 HG3 LYS 101 -6.093 7.159 13.183 819 1HD LYS 101 HD2 LYS 101 -7.752 5.015 14.505 820 2HD LYS 101 HD3 LYS 101 -8.322 6.667 14.249 821 1HE LYS 101 HE3 LYS 101 -8.095 6.441 11.874 822 2HE LYS 101 HE2 LYS 101 -7.338 4.859 12.055 823 1HZ LYS 101 HZ1 LYS 101 -10.160 5.612 12.433 824 2HZ LYS 101 HZ2 LYS 101 -9.531 4.250 13.227 825 3HZ LYS 101 HZ3 LYS 101 -9.493 4.332 11.536 826 H ALA 102 HN ALA 102 -2.622 4.132 12.207 827 HA ALA 102 HA ALA 102 -1.387 6.657 11.466 828 1HB ALA 102 HB1 ALA 102 0.013 5.813 13.010 829 2HB ALA 102 HB2 ALA 102 -0.507 4.152 12.724 830 3HB ALA 102 HB3 ALA 102 0.669 4.906 11.648 831 H TRP 103 HN TRP 103 -2.879 4.368 9.746 832 HA TRP 103 HA TRP 103 -0.867 4.069 7.649 833 1HB TRP 103 HB3 TRP 103 -3.563 2.874 8.068 834 2HB TRP 103 HB2 TRP 103 -3.073 3.160 6.402 835 HD1 TRP 103 HD1 TRP 103 -1.879 1.203 9.513 836 HE1 TRP 103 HE1 TRP 103 -0.472 -0.803 8.714 837 HE3 TRP 103 HE3 TRP 103 -1.794 2.207 4.495 838 HZ2 TRP 103 HZ2 TRP 103 0.555 -1.806 6.293 839 HZ3 TRP 103 HZ3 TRP 103 -0.561 0.661 3.019 840 HH2 TRP 103 HH2 TRP 103 0.583 -1.287 3.881 841 H LEU 104 HN LEU 104 -3.980 5.661 8.195 842 HA LEU 104 HA LEU 104 -3.967 6.963 5.668 843 1HB LEU 104 HB3 LEU 104 -5.642 8.507 6.742 844 2HB LEU 104 HB2 LEU 104 -6.090 6.817 6.651 845 HG LEU 104 HG LEU 104 -5.081 6.833 9.130 846 1HD1 LEU 104 HD21 LEU 104 -4.844 8.818 10.096 847 2HD1 LEU 104 HD22 LEU 104 -4.979 9.531 8.491 848 3HD1 LEU 104 HD23 LEU 104 -6.413 9.368 9.511 849 1HD2 LEU 104 HD11 LEU 104 -7.834 7.621 8.209 850 2HD2 LEU 104 HD12 LEU 104 -7.255 6.037 8.729 851 3HD2 LEU 104 HD13 LEU 104 -7.443 7.332 9.906 852 H ARG 105 HN ARG 105 -2.566 7.578 8.725 853 HA ARG 105 HA ARG 105 -2.015 10.339 8.363 854 1HB ARG 105 HB3 ARG 105 -1.728 9.273 10.587 855 2HB ARG 105 HB2 ARG 105 -0.339 8.385 9.962 856 1HG ARG 105 HG3 ARG 105 0.752 10.540 9.439 857 2HG ARG 105 HG2 ARG 105 -0.597 11.379 10.200 858 1HD ARG 105 HD3 ARG 105 -0.066 10.263 12.325 859 2HD ARG 105 HD2 ARG 105 1.296 9.455 11.544 860 HE ARG 105 HE ARG 105 1.234 12.128 12.533 861 1HH1 ARG 105 HH12 ARG 105 3.853 10.237 10.932 862 2HH1 ARG 105 HH11 ARG 105 3.333 10.939 9.423 863 1HH2 ARG 105 HH22 ARG 105 3.420 13.317 12.246 864 2HH2 ARG 105 HH21 ARG 105 3.317 13.654 10.538 865 H ASP 106 HN ASP 106 -0.152 7.430 7.611 866 HA ASP 106 HA ASP 106 2.007 8.891 6.433 867 1HB ASP 106 HB2 ASP 106 1.252 6.005 6.544 868 2HB ASP 106 HB3 ASP 106 2.457 6.531 5.373 869 H ILE 107 HN ILE 107 -1.060 7.904 5.411 870 HA ILE 107 HA ILE 107 -0.520 7.993 2.581 871 HB ILE 107 HB ILE 107 -2.911 7.485 4.301 872 1HG1 ILE 107 HG12 ILE 107 -2.054 6.066 1.789 873 2HG1 ILE 107 HG13 ILE 107 -1.275 5.750 3.335 874 1HG2 ILE 107 HG21 ILE 107 -3.708 9.169 2.672 875 2HG2 ILE 107 HG22 ILE 107 -3.194 8.100 1.365 876 3HG2 ILE 107 HG23 ILE 107 -4.469 7.590 2.471 877 1HD1 ILE 107 HD11 ILE 107 -4.230 5.469 2.899 878 2HD1 ILE 107 HD12 ILE 107 -3.079 4.151 2.672 879 3HD1 ILE 107 HD13 ILE 107 -3.269 4.894 4.260 880 H ALA 108 HN ALA 108 -2.094 10.025 5.008 881 HA ALA 108 HA ALA 108 -2.898 12.089 3.255 882 1HB ALA 108 HB1 ALA 108 -2.332 12.391 6.191 883 2HB ALA 108 HB2 ALA 108 -3.485 13.290 5.201 884 3HB ALA 108 HB3 ALA 108 -3.774 11.591 5.570 885 H GLU 109 HN GLU 109 0.144 11.228 4.514 886 HA GLU 109 HA GLU 109 1.427 13.378 3.145 887 1HB GLU 109 HB3 GLU 109 2.707 14.091 5.279 888 2HB GLU 109 HB2 GLU 109 1.107 14.757 4.987 889 1HG GLU 109 HG3 GLU 109 0.134 13.204 6.556 890 2HG GLU 109 HG2 GLU 109 1.701 12.432 6.804 891 H GLU 110 HN GLU 110 2.046 11.332 2.193 892 HA GLU 110 HA GLU 110 3.738 9.510 3.549 893 1HB GLU 110 HB2 GLU 110 4.263 8.978 0.978 894 2HB GLU 110 HB3 GLU 110 2.873 8.366 1.844 895 1HG GLU 110 HG2 GLU 110 2.139 9.133 -0.277 896 2HG GLU 110 HG3 GLU 110 1.523 10.224 0.956 897 H GLN 111 HN GLN 111 5.857 8.971 2.056 898 HA GLN 111 HA GLN 111 7.745 10.954 2.799 899 1HB GLN 111 HB2 GLN 111 7.808 8.244 1.681 900 2HB GLN 111 HB3 GLN 111 9.199 9.248 1.303 901 1HG GLN 111 HG2 GLN 111 9.713 9.550 3.579 902 2HG GLN 111 HG3 GLN 111 8.161 8.899 4.095 903 1HE2 GLN 111 HE21 GLN 111 11.385 8.210 3.189 904 2HE2 GLN 111 HE22 GLN 111 11.322 6.508 3.507 905 H GLU 112 HN GLU 112 6.395 12.504 1.323 906 HA GLU 112 HA GLU 112 6.993 12.522 -1.473 907 1HB GLU 112 HB3 GLU 112 5.894 14.688 -1.470 908 2HB GLU 112 HB2 GLU 112 4.974 13.547 -0.498 909 1HG GLU 112 HG3 GLU 112 6.066 14.510 1.529 910 2HG GLU 112 HG2 GLU 112 6.764 15.751 0.488 911 H LYS 113 HN LYS 113 8.621 13.616 1.361 912 HA LYS 113 HA LYS 113 10.202 15.667 0.186 913 1HB LYS 113 HB2 LYS 113 10.980 13.969 2.562 914 2HB LYS 113 HB3 LYS 113 11.522 15.597 2.185 915 1HG LYS 113 HG2 LYS 113 8.827 14.729 3.173 916 2HG LYS 113 HG3 LYS 113 9.994 15.798 3.954 917 1HD LYS 113 HD3 LYS 113 9.658 17.469 2.232 918 2HD LYS 113 HD2 LYS 113 8.551 16.387 1.381 919 1HE LYS 113 HE3 LYS 113 7.036 16.423 3.273 920 2HE LYS 113 HE2 LYS 113 8.145 17.469 4.159 921 1HZ LYS 113 HZ1 LYS 113 7.521 19.266 2.994 922 2HZ LYS 113 HZ2 LYS 113 6.108 18.369 2.709 923 3HZ LYS 113 HZ3 LYS 113 7.335 18.418 1.537 924 H TYR 114 HN TYR 114 11.027 12.346 1.171 925 HA TYR 114 HA TYR 114 12.723 10.935 0.598 926 1HB TYR 114 HB3 TYR 114 11.094 11.185 -1.495 927 2HB TYR 114 HB2 TYR 114 12.534 11.868 -2.236 928 HD1 TYR 114 HD1 TYR 114 14.736 10.353 -1.857 929 HD2 TYR 114 HD2 TYR 114 10.726 8.929 -1.783 930 HE1 TYR 114 HE1 TYR 114 15.536 8.087 -2.373 931 HE2 TYR 114 HE2 TYR 114 11.521 6.665 -2.320 932 HH TYR 114 HH TYR 114 14.889 6.039 -3.130 933 H ALA 115 HN ALA 115 13.800 13.130 1.665 934 HA ALA 115 HA ALA 115 16.353 13.363 0.307 935 1HB ALA 115 HB1 ALA 115 14.686 15.805 0.913 936 2HB ALA 115 HB2 ALA 115 16.372 15.821 0.397 937 3HB ALA 115 HB3 ALA 115 15.120 15.209 -0.690 938 H ALA 116 HN ALA 116 17.784 12.944 1.864 939 HA ALA 116 HA ALA 116 18.747 12.708 3.925 940 1HB ALA 116 HB1 ALA 116 17.719 15.286 4.916 941 2HB ALA 116 HB2 ALA 116 19.377 14.699 4.788 942 3HB ALA 116 HB3 ALA 116 18.557 15.349 3.367 943 H GLU 117 HN GLU 117 16.738 11.179 3.974 944 HA GLU 117 HA GLU 117 14.678 11.853 5.850 945 1HB GLU 117 HB3 GLU 117 15.396 9.155 4.705 946 2HB GLU 117 HB2 GLU 117 13.859 9.625 5.423 947 1HG GLU 117 HG3 GLU 117 13.468 11.194 3.614 948 2HG GLU 117 HG2 GLU 117 15.038 10.802 2.914 949 H ARG 118 HN ARG 118 15.558 12.267 7.813 950 HA ARG 118 HA ARG 118 17.483 10.594 9.102 951 1HB ARG 118 HB3 ARG 118 17.112 13.055 9.516 952 2HB ARG 118 HB2 ARG 118 15.644 12.608 10.378 953 1HG ARG 118 HG3 ARG 118 17.022 11.210 11.900 954 2HG ARG 118 HG2 ARG 118 18.464 11.825 11.091 955 1HD ARG 118 HD2 ARG 118 18.044 13.047 13.133 956 2HD ARG 118 HD3 ARG 118 17.843 14.102 11.733 957 HE ARG 118 HE ARG 118 15.414 12.844 12.715 958 1HH1 ARG 118 HH11 ARG 118 17.032 15.744 12.006 959 2HH1 ARG 118 HH12 ARG 118 16.068 16.755 13.040 960 1HH2 ARG 118 HH21 ARG 118 13.706 14.847 13.187 961 2HH2 ARG 118 HH22 ARG 118 14.434 14.864 14.761 962 H ASP 119 HN ASP 119 14.025 11.219 9.632 963 HA ASP 119 HA ASP 119 13.879 8.767 11.243 964 1HB ASP 119 HB3 ASP 119 11.914 11.072 11.100 965 2HB ASP 119 HB2 ASP 119 11.739 9.640 12.103 Start of MODEL 19 1 1H MET 1 HT1 MET 1 9.530 -11.181 11.632 2 2H MET 1 HT2 MET 1 8.427 -10.086 12.363 3 3H MET 1 HT3 MET 1 8.537 -11.709 12.921 4 HA MET 1 HA MET 1 10.429 -9.497 13.259 5 1HB MET 1 HB3 MET 1 8.760 -11.302 14.948 6 2HB MET 1 HB2 MET 1 10.294 -10.756 15.607 7 1HG MET 1 HG3 MET 1 8.524 -9.308 16.355 8 2HG MET 1 HG2 MET 1 9.600 -8.428 15.277 9 1HE MET 1 HE1 MET 1 5.302 -9.776 14.312 10 2HE MET 1 HE2 MET 1 6.611 -10.950 14.432 11 3HE MET 1 HE3 MET 1 6.129 -10.009 15.848 12 H GLY 2 HN GLY 2 12.562 -9.892 13.550 13 1HA GLY 2 HA1 GLY 2 14.529 -11.077 13.761 14 2HA GLY 2 HA2 GLY 2 13.580 -12.527 14.065 15 H ASP 3 HN ASP 3 14.225 -14.017 12.672 16 HA ASP 3 HA ASP 3 15.246 -13.390 10.085 17 1HB ASP 3 HB2 ASP 3 14.436 -16.050 11.299 18 2HB ASP 3 HB3 ASP 3 15.161 -15.890 9.702 19 H THR 4 HN THR 4 12.147 -14.288 11.373 20 HA THR 4 HA THR 4 10.955 -14.847 8.823 21 HB THR 4 HB THR 4 8.896 -14.463 10.593 22 HG1 THR 4 HG1 THR 4 9.966 -14.167 12.428 23 1HG2 THR 4 HG21 THR 4 9.989 -17.054 11.046 24 2HG2 THR 4 HG22 THR 4 10.119 -16.623 9.337 25 3HG2 THR 4 HG23 THR 4 8.553 -16.568 10.146 26 H GLY 5 HN GLY 5 10.947 -13.133 7.458 27 1HA GLY 5 HA1 GLY 5 9.407 -11.342 6.800 28 2HA GLY 5 HA2 GLY 5 9.517 -10.741 8.446 29 H LYS 6 HN LYS 6 12.235 -10.761 8.859 30 HA LYS 6 HA LYS 6 14.173 -9.632 8.501 31 1HB LYS 6 HB3 LYS 6 13.133 -9.553 5.701 32 2HB LYS 6 HB2 LYS 6 14.475 -8.512 6.156 33 1HG LYS 6 HG3 LYS 6 15.359 -10.523 5.204 34 2HG LYS 6 HG2 LYS 6 15.727 -10.494 6.928 35 1HD LYS 6 HD3 LYS 6 13.882 -12.046 7.356 36 2HD LYS 6 HD2 LYS 6 13.466 -12.026 5.639 37 1HE LYS 6 HE2 LYS 6 15.686 -12.908 5.109 38 2HE LYS 6 HE3 LYS 6 16.023 -13.050 6.833 39 1HZ LYS 6 HZ1 LYS 6 13.883 -14.431 5.327 40 2HZ LYS 6 HZ2 LYS 6 14.097 -14.538 7.000 41 3HZ LYS 6 HZ3 LYS 6 15.298 -15.140 5.968 42 H LEU 7 HN LEU 7 11.179 -8.134 7.509 43 HA LEU 7 HA LEU 7 10.278 -6.084 7.856 44 1HB LEU 7 HB2 LEU 7 11.117 -6.673 10.169 45 2HB LEU 7 HB3 LEU 7 12.483 -5.623 9.846 46 HG LEU 7 HG LEU 7 10.870 -3.718 9.520 47 1HD1 LEU 7 HD11 LEU 7 8.600 -4.142 10.620 48 2HD1 LEU 7 HD12 LEU 7 8.813 -4.681 8.949 49 3HD1 LEU 7 HD13 LEU 7 8.915 -5.840 10.274 50 1HD2 LEU 7 HD21 LEU 7 10.109 -4.437 12.200 51 2HD2 LEU 7 HD22 LEU 7 11.760 -4.967 11.870 52 3HD2 LEU 7 HD23 LEU 7 11.322 -3.281 11.638 53 H GLY 8 HN GLY 8 11.882 -6.233 5.662 54 1HA GLY 8 HA2 GLY 8 13.741 -4.023 5.648 55 2HA GLY 8 HA1 GLY 8 13.276 -5.013 4.269 56 H ARG 9 HN ARG 9 10.519 -4.138 5.770 57 HA ARG 9 HA ARG 9 9.917 -2.154 3.740 58 1HB ARG 9 HB2 ARG 9 8.193 -3.412 5.884 59 2HB ARG 9 HB3 ARG 9 7.612 -2.290 4.663 60 1HG ARG 9 HG3 ARG 9 7.002 -4.315 3.773 61 2HG ARG 9 HG2 ARG 9 8.553 -4.040 2.984 62 1HD ARG 9 HD3 ARG 9 9.596 -5.431 4.825 63 2HD ARG 9 HD2 ARG 9 7.956 -5.873 5.290 64 HE ARG 9 HE ARG 9 8.263 -6.359 2.543 65 1HH1 ARG 9 HH12 ARG 9 8.402 -8.563 5.459 66 2HH1 ARG 9 HH11 ARG 9 10.120 -8.571 5.180 67 1HH2 ARG 9 HH22 ARG 9 9.732 -8.703 1.980 68 2HH2 ARG 9 HH21 ARG 9 8.369 -9.520 2.680 69 H ILE 10 HN ILE 10 11.562 -0.772 4.734 70 HA ILE 10 HA ILE 10 11.904 0.417 7.014 71 HB ILE 10 HB ILE 10 13.141 1.151 5.167 72 1HG1 ILE 10 HG13 ILE 10 11.497 3.545 6.009 73 2HG1 ILE 10 HG12 ILE 10 12.781 2.818 6.975 74 1HG2 ILE 10 HG21 ILE 10 12.334 1.684 3.153 75 2HG2 ILE 10 HG22 ILE 10 10.783 1.108 3.762 76 3HG2 ILE 10 HG23 ILE 10 11.175 2.830 3.821 77 1HD1 ILE 10 HD11 ILE 10 14.364 3.232 5.107 78 2HD1 ILE 10 HD12 ILE 10 13.097 4.139 4.279 79 3HD1 ILE 10 HD13 ILE 10 13.718 4.707 5.825 80 H ILE 11 HN ILE 11 9.164 1.462 4.972 81 HA ILE 11 HA ILE 11 8.239 3.256 7.035 82 HB ILE 11 HB ILE 11 7.120 2.501 4.338 83 1HG1 ILE 11 HG13 ILE 11 8.312 5.016 5.506 84 2HG1 ILE 11 HG12 ILE 11 8.970 3.995 4.227 85 1HG2 ILE 11 HG21 ILE 11 5.621 3.429 6.551 86 2HG2 ILE 11 HG22 ILE 11 5.754 4.753 5.391 87 3HG2 ILE 11 HG23 ILE 11 5.083 3.188 4.885 88 1HD1 ILE 11 HD11 ILE 11 6.397 4.788 3.427 89 2HD1 ILE 11 HD12 ILE 11 7.238 6.223 4.012 90 3HD1 ILE 11 HD13 ILE 11 7.953 5.245 2.732 91 H ARG 12 HN ARG 12 6.236 0.872 5.323 92 HA ARG 12 HA ARG 12 5.784 -0.662 7.703 93 1HB ARG 12 HB2 ARG 12 4.298 1.650 7.501 94 2HB ARG 12 HB3 ARG 12 3.235 0.451 6.777 95 1HG ARG 12 HG3 ARG 12 2.559 0.242 8.937 96 2HG ARG 12 HG2 ARG 12 3.907 -0.898 8.989 97 1HD ARG 12 HD3 ARG 12 4.116 0.485 10.890 98 2HD ARG 12 HD2 ARG 12 5.355 1.012 9.745 99 HE ARG 12 HE ARG 12 2.981 2.501 9.363 100 1HH1 ARG 12 HH12 ARG 12 5.948 2.573 11.458 101 2HH1 ARG 12 HH11 ARG 12 6.000 4.118 10.653 102 1HH2 ARG 12 HH21 ARG 12 3.156 4.850 9.976 103 2HH2 ARG 12 HH22 ARG 12 3.118 4.739 11.715 104 H HIS 13 HN HIS 13 3.831 -2.170 7.279 105 HA HIS 13 HA HIS 13 3.150 -2.638 4.551 106 1HB HIS 13 HB2 HIS 13 4.166 -4.714 4.184 107 2HB HIS 13 HB3 HIS 13 5.469 -3.730 4.831 108 HD1 HIS 13 HD1 HIS 13 5.723 -4.134 7.604 109 HD2 HIS 13 HD2 HIS 13 3.955 -7.137 5.325 110 HE1 HIS 13 HE1 HIS 13 5.850 -6.226 8.976 111 HE2 HIS 13 HE2 HIS 13 4.598 -7.959 7.668 112 H ASP 14 HN ASP 14 1.254 -3.767 4.425 113 HA ASP 14 HA ASP 14 0.333 -5.170 6.819 114 1HB ASP 14 HB2 ASP 14 -0.302 -2.587 6.693 115 2HB ASP 14 HB3 ASP 14 -1.583 -3.202 5.650 116 H ALA 15 HN ALA 15 -2.304 -5.603 6.133 117 HA ALA 15 HA ALA 15 -2.421 -6.546 3.385 118 1HB ALA 15 HB1 ALA 15 -1.631 -8.578 3.921 119 2HB ALA 15 HB2 ALA 15 -1.873 -8.317 5.644 120 3HB ALA 15 HB3 ALA 15 -3.223 -8.844 4.629 121 H PHE 16 HN PHE 16 -4.477 -6.570 2.653 122 HA PHE 16 HA PHE 16 -6.677 -6.411 4.588 123 1HB PHE 16 HB2 PHE 16 -6.170 -4.450 2.336 124 2HB PHE 16 HB3 PHE 16 -7.657 -4.532 3.273 125 HD1 PHE 16 HD1 PHE 16 -7.184 -4.454 5.956 126 HD2 PHE 16 HD2 PHE 16 -4.650 -2.887 2.906 127 HE1 PHE 16 HE1 PHE 16 -6.195 -2.901 7.600 128 HE2 PHE 16 HE2 PHE 16 -3.671 -1.338 4.535 129 HZ PHE 16 HZ PHE 16 -4.437 -1.322 6.867 130 H GLN 17 HN GLN 17 -8.830 -6.288 3.185 131 HA GLN 17 HA GLN 17 -8.692 -7.832 0.732 132 1HB GLN 17 HB3 GLN 17 -8.800 -9.504 2.685 133 2HB GLN 17 HB2 GLN 17 -10.388 -8.835 3.028 134 1HG GLN 17 HG3 GLN 17 -11.155 -9.497 0.813 135 2HG GLN 17 HG2 GLN 17 -9.576 -10.210 0.478 136 1HE2 GLN 17 HE21 GLN 17 -10.654 -10.437 3.704 137 2HE2 GLN 17 HE22 GLN 17 -11.310 -12.035 3.661 138 H VAL 18 HN VAL 18 -9.250 -5.546 0.488 139 HA VAL 18 HA VAL 18 -12.020 -4.840 1.028 140 HB VAL 18 HB VAL 18 -10.346 -3.308 1.759 141 1HG1 VAL 18 HG11 VAL 18 -9.187 -2.355 -0.648 142 2HG1 VAL 18 HG12 VAL 18 -8.429 -3.076 0.773 143 3HG1 VAL 18 HG13 VAL 18 -8.989 -4.103 -0.546 144 1HG2 VAL 18 HG21 VAL 18 -10.930 -1.419 -0.202 145 2HG2 VAL 18 HG22 VAL 18 -12.342 -2.478 -0.123 146 3HG2 VAL 18 HG23 VAL 18 -11.768 -1.676 1.331 147 H TRP 19 HN TRP 19 -11.332 -2.976 -1.554 148 HA TRP 19 HA TRP 19 -12.090 -5.012 -3.524 149 1HB TRP 19 HB2 TRP 19 -13.457 -2.347 -3.116 150 2HB TRP 19 HB3 TRP 19 -13.833 -3.530 -4.363 151 HD1 TRP 19 HD1 TRP 19 -15.041 -5.844 -3.495 152 HE1 TRP 19 HE1 TRP 19 -16.544 -6.290 -1.457 153 HE3 TRP 19 HE3 TRP 19 -13.834 -1.744 -0.630 154 HZ2 TRP 19 HZ2 TRP 19 -17.174 -5.063 0.982 155 HZ3 TRP 19 HZ3 TRP 19 -14.989 -1.448 1.514 156 HH2 TRP 19 HH2 TRP 19 -16.586 -3.081 2.312 157 H GLU 20 HN GLU 20 -11.779 -4.438 -5.682 158 HA GLU 20 HA GLU 20 -10.120 -2.095 -6.286 159 1HB GLU 20 HB2 GLU 20 -8.499 -3.921 -5.951 160 2HB GLU 20 HB3 GLU 20 -9.414 -4.945 -7.041 161 1HG GLU 20 HG3 GLU 20 -8.406 -2.391 -8.125 162 2HG GLU 20 HG2 GLU 20 -7.220 -3.659 -7.795 163 H GLY 21 HN GLY 21 -10.705 -1.149 -8.126 164 1HA GLY 21 HA2 GLY 21 -11.853 -0.734 -10.078 165 2HA GLY 21 HA1 GLY 21 -11.857 -2.470 -10.357 166 H ASP 22 HN ASP 22 -13.083 -1.528 -7.381 167 HA ASP 22 HA ASP 22 -15.117 -1.588 -6.389 168 1HB ASP 22 HB2 ASP 22 -15.552 0.177 -8.382 169 2HB ASP 22 HB3 ASP 22 -16.670 -1.096 -8.861 170 H GLU 23 HN GLU 23 -13.883 -3.824 -7.801 171 HA GLU 23 HA GLU 23 -16.108 -5.508 -8.641 172 1HB GLU 23 HB2 GLU 23 -13.153 -6.142 -8.447 173 2HB GLU 23 HB3 GLU 23 -14.378 -7.096 -9.265 174 1HG GLU 23 HG3 GLU 23 -14.635 -5.435 -10.961 175 2HG GLU 23 HG2 GLU 23 -13.597 -4.308 -10.079 176 HA PRO 24 HA PRO 24 -16.529 -8.020 -4.975 177 1HB PRO 24 HB2 PRO 24 -15.125 -10.382 -5.512 178 2HB PRO 24 HB3 PRO 24 -16.826 -10.084 -5.862 179 1HG PRO 24 HG3 PRO 24 -14.463 -9.914 -7.679 180 2HG PRO 24 HG2 PRO 24 -16.118 -10.461 -8.029 181 1HD PRO 24 HD3 PRO 24 -15.264 -8.057 -8.822 182 2HD PRO 24 HD2 PRO 24 -16.927 -8.287 -8.239 183 HA PRO 25 HA PRO 25 -13.099 -7.281 -2.324 184 1HB PRO 25 HB2 PRO 25 -13.381 -9.468 -0.627 185 2HB PRO 25 HB3 PRO 25 -14.161 -7.906 -0.426 186 1HG PRO 25 HG3 PRO 25 -15.219 -10.430 -1.601 187 2HG PRO 25 HG2 PRO 25 -16.060 -9.210 -0.627 188 1HD PRO 25 HD3 PRO 25 -16.414 -9.361 -3.274 189 2HD PRO 25 HD2 PRO 25 -16.356 -7.793 -2.444 190 H LYS 26 HN LYS 26 -11.055 -7.561 -2.711 191 HA LYS 26 HA LYS 26 -10.107 -10.237 -3.508 192 1HB LYS 26 HB2 LYS 26 -10.348 -8.071 -5.123 193 2HB LYS 26 HB3 LYS 26 -8.729 -7.801 -4.503 194 1HG LYS 26 HG3 LYS 26 -8.018 -9.957 -5.357 195 2HG LYS 26 HG2 LYS 26 -9.661 -10.296 -5.904 196 1HD LYS 26 HD2 LYS 26 -7.959 -8.002 -6.881 197 2HD LYS 26 HD3 LYS 26 -8.213 -9.516 -7.751 198 1HE LYS 26 HE3 LYS 26 -10.627 -9.046 -7.811 199 2HE LYS 26 HE2 LYS 26 -10.326 -7.512 -6.994 200 1HZ LYS 26 HZ1 LYS 26 -10.563 -7.303 -9.418 201 2HZ LYS 26 HZ2 LYS 26 -9.181 -8.256 -9.624 202 3HZ LYS 26 HZ3 LYS 26 -9.066 -6.735 -8.875 203 H LEU 27 HN LEU 27 -8.538 -11.040 -2.199 204 HA LEU 27 HA LEU 27 -7.540 -9.576 0.004 205 1HB LEU 27 HB3 LEU 27 -7.684 -12.050 -0.104 206 2HB LEU 27 HB2 LEU 27 -6.387 -12.072 -1.278 207 HG LEU 27 HG LEU 27 -4.857 -11.140 0.463 208 1HD1 LEU 27 HD21 LEU 27 -7.185 -10.439 1.764 209 2HD1 LEU 27 HD22 LEU 27 -6.601 -11.823 2.686 210 3HD1 LEU 27 HD23 LEU 27 -5.563 -10.416 2.456 211 1HD2 LEU 27 HD11 LEU 27 -4.402 -13.297 0.687 212 2HD2 LEU 27 HD12 LEU 27 -5.554 -13.356 2.026 213 3HD2 LEU 27 HD13 LEU 27 -6.084 -13.739 0.392 214 H ARG 28 HN ARG 28 -5.649 -8.403 0.295 215 HA ARG 28 HA ARG 28 -3.651 -8.437 -1.819 216 1HB ARG 28 HB2 ARG 28 -3.684 -5.993 -2.101 217 2HB ARG 28 HB3 ARG 28 -5.161 -6.760 -2.660 218 1HG ARG 28 HG3 ARG 28 -6.307 -6.082 -0.618 219 2HG ARG 28 HG2 ARG 28 -4.823 -5.322 -0.035 220 1HD ARG 28 HD2 ARG 28 -6.459 -3.735 -1.044 221 2HD ARG 28 HD3 ARG 28 -4.863 -3.717 -1.797 222 HE ARG 28 HE ARG 28 -5.761 -4.508 -3.733 223 1HH1 ARG 28 HH12 ARG 28 -9.121 -4.680 -1.877 224 2HH1 ARG 28 HH11 ARG 28 -8.502 -6.295 -1.917 225 1HH2 ARG 28 HH21 ARG 28 -7.345 -5.895 -4.945 226 2HH2 ARG 28 HH22 ARG 28 -8.606 -4.705 -4.882 227 H TYR 29 HN TYR 29 -1.648 -8.015 -1.128 228 HA TYR 29 HA TYR 29 -1.348 -7.277 1.700 229 1HB TYR 29 HB3 TYR 29 0.416 -8.832 -0.184 230 2HB TYR 29 HB2 TYR 29 1.016 -8.221 1.355 231 HD1 TYR 29 HD1 TYR 29 -2.124 -9.957 0.253 232 HD2 TYR 29 HD2 TYR 29 1.175 -9.913 2.960 233 HE1 TYR 29 HE1 TYR 29 -3.030 -11.932 1.409 234 HE2 TYR 29 HE2 TYR 29 0.285 -11.889 4.092 235 HH TYR 29 HH TYR 29 -2.286 -13.753 2.782 236 H VAL 30 HN VAL 30 -1.307 -5.124 1.706 237 HA VAL 30 HA VAL 30 0.138 -3.607 -0.256 238 HB VAL 30 HB VAL 30 -1.298 -2.687 2.231 239 1HG1 VAL 30 HG21 VAL 30 -0.046 -1.223 -0.061 240 2HG1 VAL 30 HG22 VAL 30 -1.363 -0.510 0.876 241 3HG1 VAL 30 HG23 VAL 30 0.148 -0.956 1.670 242 1HG2 VAL 30 HG11 VAL 30 -3.208 -2.990 1.126 243 2HG2 VAL 30 HG12 VAL 30 -2.611 -2.013 -0.216 244 3HG2 VAL 30 HG13 VAL 30 -2.302 -3.751 -0.180 245 H PHE 31 HN PHE 31 2.257 -3.428 -0.157 246 HA PHE 31 HA PHE 31 3.561 -3.088 2.464 247 1HB PHE 31 HB2 PHE 31 4.896 -3.797 -0.173 248 2HB PHE 31 HB3 PHE 31 5.613 -3.869 1.435 249 HD1 PHE 31 HD1 PHE 31 4.248 -5.417 3.107 250 HD2 PHE 31 HD2 PHE 31 4.273 -5.761 -1.126 251 HE1 PHE 31 HE1 PHE 31 3.635 -7.787 3.322 252 HE2 PHE 31 HE2 PHE 31 3.663 -8.139 -0.932 253 HZ PHE 31 HZ PHE 31 3.326 -9.153 1.284 254 H LEU 32 HN LEU 32 4.693 -1.163 2.813 255 HA LEU 32 HA LEU 32 4.860 0.667 0.527 256 1HB LEU 32 HB3 LEU 32 3.100 1.640 1.441 257 2HB LEU 32 HB2 LEU 32 3.384 0.956 3.018 258 HG LEU 32 HG LEU 32 4.964 2.707 3.538 259 1HD1 LEU 32 HD21 LEU 32 4.119 4.093 0.986 260 2HD1 LEU 32 HD22 LEU 32 5.400 4.539 2.115 261 3HD1 LEU 32 HD23 LEU 32 5.594 3.118 1.101 262 1HD2 LEU 32 HD11 LEU 32 2.150 3.014 3.152 263 2HD2 LEU 32 HD12 LEU 32 3.193 3.742 4.381 264 3HD2 LEU 32 HD13 LEU 32 2.958 4.544 2.831 265 H PHE 33 HN PHE 33 6.651 1.614 0.267 266 HA PHE 33 HA PHE 33 8.713 1.550 2.390 267 1HB PHE 33 HB2 PHE 33 9.344 1.464 -0.553 268 2HB PHE 33 HB3 PHE 33 10.378 1.047 0.804 269 HD1 PHE 33 HD1 PHE 33 9.274 -0.962 2.324 270 HD2 PHE 33 HD2 PHE 33 8.718 -0.282 -1.860 271 HE1 PHE 33 HE1 PHE 33 8.754 -3.352 1.995 272 HE2 PHE 33 HE2 PHE 33 8.084 -2.629 -2.126 273 HZ PHE 33 HZ PHE 33 8.133 -4.148 -0.229 274 H ARG 34 HN ARG 34 10.602 3.180 1.734 275 HA ARG 34 HA ARG 34 9.276 5.741 1.241 276 1HB ARG 34 HB2 ARG 34 10.916 5.442 3.148 277 2HB ARG 34 HB3 ARG 34 12.184 5.308 1.938 278 1HG ARG 34 HG2 ARG 34 11.414 7.556 1.079 279 2HG ARG 34 HG3 ARG 34 10.477 7.678 2.569 280 1HD ARG 34 HD3 ARG 34 12.371 7.776 3.906 281 2HD ARG 34 HD2 ARG 34 13.417 7.047 2.683 282 HE ARG 34 HE ARG 34 12.470 9.438 1.636 283 1HH1 ARG 34 HH12 ARG 34 14.559 9.624 4.837 284 2HH1 ARG 34 HH11 ARG 34 15.563 8.791 3.687 285 1HH2 ARG 34 HH21 ARG 34 14.291 11.028 1.357 286 2HH2 ARG 34 HH22 ARG 34 14.696 11.663 2.928 287 H ASN 35 HN ASN 35 8.927 4.766 -0.960 288 HA ASN 35 HA ASN 35 10.562 6.100 -2.867 289 1HB ASN 35 HB3 ASN 35 12.109 4.284 -2.608 290 2HB ASN 35 HB2 ASN 35 10.816 3.088 -2.664 291 1HD2 ASN 35 HD21 ASN 35 10.938 1.977 -4.467 292 2HD2 ASN 35 HD22 ASN 35 11.546 2.562 -5.980 293 H LYS 36 HN LYS 36 8.351 3.458 -2.247 294 HA LYS 36 HA LYS 36 6.249 4.594 -3.742 295 1HB LYS 36 HB3 LYS 36 6.129 2.986 -5.589 296 2HB LYS 36 HB2 LYS 36 7.625 3.903 -5.647 297 1HG LYS 36 HG2 LYS 36 8.916 2.098 -5.007 298 2HG LYS 36 HG3 LYS 36 7.533 1.212 -4.361 299 1HD LYS 36 HD3 LYS 36 8.255 0.239 -6.474 300 2HD LYS 36 HD2 LYS 36 6.642 0.939 -6.637 301 1HE LYS 36 HE2 LYS 36 7.580 2.922 -7.675 302 2HE LYS 36 HE3 LYS 36 9.207 2.250 -7.524 303 1HZ LYS 36 HZ1 LYS 36 7.162 0.641 -8.884 304 2HZ LYS 36 HZ2 LYS 36 8.822 0.718 -9.164 305 3HZ LYS 36 HZ3 LYS 36 7.836 1.966 -9.731 306 H ILE 37 HN ILE 37 4.550 2.715 -4.189 307 HA ILE 37 HA ILE 37 4.491 1.110 -1.733 308 HB ILE 37 HB ILE 37 2.192 2.156 -3.410 309 1HG1 ILE 37 HG12 ILE 37 3.019 2.766 -0.572 310 2HG1 ILE 37 HG13 ILE 37 3.329 3.814 -1.957 311 1HG2 ILE 37 HG21 ILE 37 1.059 1.192 -1.141 312 2HG2 ILE 37 HG22 ILE 37 1.161 0.299 -2.659 313 3HG2 ILE 37 HG23 ILE 37 2.362 0.031 -1.393 314 1HD1 ILE 37 HD11 ILE 37 1.353 4.783 -1.541 315 2HD1 ILE 37 HD12 ILE 37 0.580 3.271 -2.016 316 3HD1 ILE 37 HD13 ILE 37 0.968 3.569 -0.322 317 H MET 38 HN MET 38 4.018 -1.080 -1.884 318 HA MET 38 HA MET 38 3.645 -2.240 -4.569 319 1HB MET 38 HB2 MET 38 5.613 -3.119 -2.442 320 2HB MET 38 HB3 MET 38 5.089 -4.164 -3.754 321 1HG MET 38 HG2 MET 38 6.333 -1.481 -4.295 322 2HG MET 38 HG3 MET 38 7.289 -2.951 -4.073 323 1HE MET 38 HE1 MET 38 7.817 -1.491 -6.460 324 2HE MET 38 HE2 MET 38 8.350 -3.167 -6.562 325 3HE MET 38 HE3 MET 38 7.476 -2.438 -7.912 326 H PHE 39 HN PHE 39 1.675 -3.063 -4.508 327 HA PHE 39 HA PHE 39 0.971 -4.700 -2.169 328 1HB PHE 39 HB2 PHE 39 -1.298 -3.993 -2.296 329 2HB PHE 39 HB3 PHE 39 -0.299 -2.549 -2.351 330 HD1 PHE 39 HD1 PHE 39 0.316 -1.763 -4.855 331 HD2 PHE 39 HD2 PHE 39 -3.070 -4.086 -3.722 332 HE1 PHE 39 HE1 PHE 39 -0.865 -1.034 -6.888 333 HE2 PHE 39 HE2 PHE 39 -4.245 -3.353 -5.762 334 HZ PHE 39 HZ PHE 39 -3.129 -1.829 -7.343 335 H THR 40 HN THR 40 0.573 -6.748 -2.528 336 HA THR 40 HA THR 40 0.351 -7.656 -5.278 337 HB THR 40 HB THR 40 0.754 -9.933 -4.132 338 HG1 THR 40 HG1 THR 40 1.823 -8.354 -2.065 339 1HG2 THR 40 HG21 THR 40 2.927 -7.853 -3.983 340 2HG2 THR 40 HG22 THR 40 2.485 -8.785 -5.414 341 3HG2 THR 40 HG23 THR 40 3.139 -9.603 -3.998 342 H GLU 41 HN GLU 41 -1.509 -8.274 -6.113 343 HA GLU 41 HA GLU 41 -3.873 -8.511 -4.495 344 1HB GLU 41 HB2 GLU 41 -3.368 -8.755 -7.456 345 2HB GLU 41 HB3 GLU 41 -4.958 -8.880 -6.721 346 1HG GLU 41 HG2 GLU 41 -3.194 -6.457 -6.480 347 2HG GLU 41 HG3 GLU 41 -4.439 -6.658 -7.710 348 H GLN 42 HN GLN 42 -5.052 -10.291 -4.088 349 HA GLN 42 HA GLN 42 -4.238 -12.883 -5.188 350 1HB GLN 42 HB2 GLN 42 -4.563 -12.203 -2.265 351 2HB GLN 42 HB3 GLN 42 -4.838 -13.839 -2.849 352 1HG GLN 42 HG3 GLN 42 -2.514 -13.797 -3.804 353 2HG GLN 42 HG2 GLN 42 -2.268 -12.263 -2.969 354 1HE2 GLN 42 HE21 GLN 42 -0.925 -12.678 -1.384 355 2HE2 GLN 42 HE22 GLN 42 -1.109 -13.935 -0.208 356 H ASP 43 HN ASP 43 -5.980 -13.689 -6.174 357 HA ASP 43 HA ASP 43 -8.610 -12.816 -5.294 358 1HB ASP 43 HB2 ASP 43 -7.826 -12.469 -7.702 359 2HB ASP 43 HB3 ASP 43 -7.960 -14.215 -7.881 360 H ALA 44 HN ALA 44 -9.377 -14.114 -3.851 361 HA ALA 44 HA ALA 44 -10.368 -15.891 -2.950 362 1HB ALA 44 HB1 ALA 44 -9.973 -18.026 -4.755 363 2HB ALA 44 HB2 ALA 44 -11.448 -17.099 -4.461 364 3HB ALA 44 HB3 ALA 44 -10.312 -16.570 -5.693 365 H SER 45 HN SER 45 -7.169 -15.658 -3.408 366 HA SER 45 HA SER 45 -5.314 -16.670 -2.544 367 1HB SER 45 HB3 SER 45 -7.294 -17.958 -0.654 368 2HB SER 45 HB2 SER 45 -5.564 -17.769 -0.373 369 HG SER 45 HG SER 45 -7.405 -15.611 -0.739 370 H THR 46 HN THR 46 -6.496 -17.989 -4.778 371 HA THR 46 HA THR 46 -5.542 -20.712 -4.260 372 HB THR 46 HB THR 46 -7.380 -21.490 -5.890 373 HG1 THR 46 HG1 THR 46 -9.210 -19.756 -5.377 374 1HG2 THR 46 HG21 THR 46 -7.599 -20.870 -3.071 375 2HG2 THR 46 HG22 THR 46 -8.202 -22.267 -3.956 376 3HG2 THR 46 HG23 THR 46 -9.169 -20.791 -3.865 377 H SER 47 HN SER 47 -7.001 -19.650 -7.219 378 HA SER 47 HA SER 47 -4.337 -19.380 -8.474 379 1HB SER 47 HB3 SER 47 -6.819 -20.580 -9.761 380 2HB SER 47 HB2 SER 47 -5.208 -20.496 -10.471 381 HG SER 47 HG SER 47 -6.260 -22.258 -8.614 382 HA PRO 48 HA PRO 48 -6.824 -15.441 -8.584 383 1HB PRO 48 HB3 PRO 48 -4.067 -14.356 -8.690 384 2HB PRO 48 HB2 PRO 48 -5.422 -13.921 -7.646 385 1HG PRO 48 HG3 PRO 48 -3.349 -15.315 -6.704 386 2HG PRO 48 HG2 PRO 48 -5.008 -15.606 -6.149 387 1HD PRO 48 HD2 PRO 48 -3.351 -17.174 -8.069 388 2HD PRO 48 HD3 PRO 48 -4.503 -17.747 -6.852 389 HA PRO 49 HA PRO 49 -6.081 -15.157 -13.037 390 1HB PRO 49 HB2 PRO 49 -8.655 -15.019 -13.745 391 2HB PRO 49 HB3 PRO 49 -7.931 -16.548 -13.246 392 1HG PRO 49 HG3 PRO 49 -9.803 -14.773 -11.793 393 2HG PRO 49 HG2 PRO 49 -9.605 -16.534 -11.685 394 1HD PRO 49 HD2 PRO 49 -8.538 -14.548 -9.935 395 2HD PRO 49 HD3 PRO 49 -8.222 -16.294 -9.904 396 H SER 50 HN SER 50 -7.292 -13.102 -10.695 397 HA SER 50 HA SER 50 -7.643 -10.872 -12.573 398 1HB SER 50 HB2 SER 50 -8.582 -10.994 -9.714 399 2HB SER 50 HB3 SER 50 -9.119 -9.906 -10.997 400 HG SER 50 HG SER 50 -10.111 -12.285 -10.317 401 H TYR 51 HN TYR 51 -5.063 -11.882 -11.580 402 HA TYR 51 HA TYR 51 -4.262 -9.720 -9.787 403 1HB TYR 51 HB2 TYR 51 -3.475 -11.908 -9.099 404 2HB TYR 51 HB3 TYR 51 -2.765 -12.194 -10.686 405 HD1 TYR 51 HD1 TYR 51 -2.650 -9.270 -8.392 406 HD2 TYR 51 HD2 TYR 51 -0.440 -12.281 -10.436 407 HE1 TYR 51 HE1 TYR 51 -0.547 -8.268 -7.602 408 HE2 TYR 51 HE2 TYR 51 1.662 -11.289 -9.633 409 HH TYR 51 HH TYR 51 1.713 -8.218 -7.951 410 H THR 52 HN THR 52 -3.001 -11.273 -12.724 411 HA THR 52 HA THR 52 -1.936 -10.526 -14.545 412 HB THR 52 HB THR 52 -3.133 -7.841 -13.853 413 HG1 THR 52 HG1 THR 52 -4.930 -8.728 -14.373 414 1HG2 THR 52 HG21 THR 52 -2.206 -7.068 -15.693 415 2HG2 THR 52 HG22 THR 52 -3.072 -8.298 -16.620 416 3HG2 THR 52 HG23 THR 52 -1.458 -8.635 -15.996 417 H HIS 53 HN HIS 53 -1.595 -7.511 -12.615 418 HA HIS 53 HA HIS 53 1.159 -8.187 -12.066 419 1HB HIS 53 HB2 HIS 53 0.531 -6.600 -14.357 420 2HB HIS 53 HB3 HIS 53 1.328 -5.565 -13.176 421 HD1 HIS 53 HD1 HIS 53 3.587 -7.035 -12.111 422 HD2 HIS 53 HD2 HIS 53 2.350 -7.656 -16.028 423 HE1 HIS 53 HE1 HIS 53 5.543 -8.087 -13.294 424 HE2 HIS 53 HE2 HIS 53 4.841 -8.257 -15.695 425 H TYR 54 HN TYR 54 -0.520 -5.059 -12.295 426 HA TYR 54 HA TYR 54 -0.709 -3.361 -10.769 427 1HB TYR 54 HB3 TYR 54 -1.301 -5.694 -8.927 428 2HB TYR 54 HB2 TYR 54 -1.606 -4.007 -8.533 429 HD1 TYR 54 HD1 TYR 54 -2.959 -2.820 -10.703 430 HD2 TYR 54 HD2 TYR 54 -3.187 -6.861 -9.393 431 HE1 TYR 54 HE1 TYR 54 -5.199 -3.008 -11.700 432 HE2 TYR 54 HE2 TYR 54 -5.406 -7.068 -10.383 433 HH TYR 54 HH TYR 54 -7.346 -5.195 -10.939 434 H SER 55 HN SER 55 -0.096 -4.352 -7.812 435 HA SER 55 HA SER 55 1.569 -4.253 -6.317 436 1HB SER 55 HB2 SER 55 3.455 -4.882 -8.578 437 2HB SER 55 HB3 SER 55 3.692 -5.207 -6.859 438 HG SER 55 HG SER 55 1.666 -6.330 -8.509 439 H SER 56 HN SER 56 3.245 -2.937 -9.183 440 HA SER 56 HA SER 56 4.603 -1.014 -7.683 441 1HB SER 56 HB3 SER 56 5.352 -1.946 -9.878 442 2HB SER 56 HB2 SER 56 4.130 -0.944 -10.660 443 HG SER 56 HG SER 56 5.286 0.796 -10.302 444 H ILE 57 HN ILE 57 3.839 0.701 -6.757 445 HA ILE 57 HA ILE 57 1.815 2.336 -8.141 446 HB ILE 57 HB ILE 57 2.198 1.849 -5.168 447 1HG1 ILE 57 HG12 ILE 57 0.821 0.205 -6.428 448 2HG1 ILE 57 HG13 ILE 57 -0.088 1.066 -5.189 449 1HG2 ILE 57 HG21 ILE 57 0.004 3.619 -6.023 450 2HG2 ILE 57 HG22 ILE 57 1.042 3.703 -4.595 451 3HG2 ILE 57 HG23 ILE 57 1.630 4.292 -6.141 452 1HD1 ILE 57 HD11 ILE 57 -0.266 1.243 -8.159 453 2HD1 ILE 57 HD12 ILE 57 -1.548 1.095 -6.958 454 3HD1 ILE 57 HD13 ILE 57 -0.723 2.638 -7.181 455 H ARG 58 HN ARG 58 2.393 4.509 -8.372 456 HA ARG 58 HA ARG 58 4.927 5.241 -7.072 457 1HB ARG 58 HB2 ARG 58 5.806 6.162 -8.991 458 2HB ARG 58 HB3 ARG 58 4.887 4.826 -9.663 459 1HG ARG 58 HG2 ARG 58 3.054 6.857 -9.674 460 2HG ARG 58 HG3 ARG 58 4.565 7.693 -10.044 461 1HD ARG 58 HD3 ARG 58 4.886 5.643 -11.663 462 2HD ARG 58 HD2 ARG 58 3.126 5.595 -11.551 463 HE ARG 58 HE ARG 58 3.991 8.234 -12.118 464 1HH1 ARG 58 HH12 ARG 58 4.661 5.346 -13.896 465 2HH1 ARG 58 HH11 ARG 58 3.452 5.635 -15.104 466 1HH2 ARG 58 HH21 ARG 58 4.425 8.633 -14.886 467 2HH2 ARG 58 HH22 ARG 58 2.687 8.576 -14.716 468 H LEU 59 HN LEU 59 4.764 6.810 -5.740 469 HA LEU 59 HA LEU 59 2.338 8.145 -5.262 470 1HB LEU 59 HB2 LEU 59 5.090 8.240 -4.146 471 2HB LEU 59 HB3 LEU 59 3.972 9.526 -3.732 472 HG LEU 59 HG LEU 59 2.393 7.806 -2.859 473 1HD1 LEU 59 HD11 LEU 59 4.722 5.906 -3.099 474 2HD1 LEU 59 HD12 LEU 59 3.104 5.551 -2.498 475 3HD1 LEU 59 HD13 LEU 59 3.357 5.908 -4.212 476 1HD2 LEU 59 HD21 LEU 59 5.023 8.507 -1.757 477 2HD2 LEU 59 HD22 LEU 59 3.417 8.667 -1.050 478 3HD2 LEU 59 HD23 LEU 59 4.248 7.110 -1.008 479 H ASP 60 HN ASP 60 4.538 8.897 -7.666 480 HA ASP 60 HA ASP 60 4.496 11.730 -7.300 481 1HB ASP 60 HB3 ASP 60 6.432 10.624 -8.310 482 2HB ASP 60 HB2 ASP 60 5.414 10.032 -9.620 483 H LYS 61 HN LYS 61 2.596 9.442 -9.266 484 HA LYS 61 HA LYS 61 1.171 11.814 -10.259 485 1HB LYS 61 HB2 LYS 61 2.141 9.455 -11.749 486 2HB LYS 61 HB3 LYS 61 0.592 10.142 -12.226 487 1HG LYS 61 HG2 LYS 61 3.207 11.623 -12.004 488 2HG LYS 61 HG3 LYS 61 2.417 11.132 -13.506 489 1HD LYS 61 HD3 LYS 61 0.554 12.610 -13.066 490 2HD LYS 61 HD2 LYS 61 1.193 13.003 -11.470 491 1HE LYS 61 HE2 LYS 61 1.683 14.821 -12.943 492 2HE LYS 61 HE3 LYS 61 3.190 13.990 -12.565 493 1HZ LYS 61 HZ1 LYS 61 2.572 14.663 -15.012 494 2HZ LYS 61 HZ2 LYS 61 1.742 13.189 -14.972 495 3HZ LYS 61 HZ3 LYS 61 3.408 13.211 -14.672 496 H TYR 62 HN TYR 62 0.629 9.086 -8.323 497 HA TYR 62 HA TYR 62 -2.162 8.864 -9.180 498 1HB TYR 62 HB3 TYR 62 -2.329 6.894 -7.981 499 2HB TYR 62 HB2 TYR 62 -0.614 6.867 -8.369 500 HD1 TYR 62 HD1 TYR 62 1.020 7.581 -6.610 501 HD2 TYR 62 HD2 TYR 62 -3.074 6.933 -5.760 502 HE1 TYR 62 HE1 TYR 62 1.548 7.452 -4.193 503 HE2 TYR 62 HE2 TYR 62 -2.548 6.707 -3.361 504 HH TYR 62 HH TYR 62 -0.979 7.208 -1.777 505 H ASN 63 HN ASN 63 -3.827 9.697 -8.052 506 HA ASN 63 HA ASN 63 -3.161 11.551 -5.906 507 1HB ASN 63 HB2 ASN 63 -5.686 11.226 -7.572 508 2HB ASN 63 HB3 ASN 63 -5.511 12.393 -6.262 509 1HD2 ASN 63 HD21 ASN 63 -5.157 14.348 -6.986 510 2HD2 ASN 63 HD22 ASN 63 -4.407 14.740 -8.499 511 H ILE 64 HN ILE 64 -3.998 11.295 -3.859 512 HA ILE 64 HA ILE 64 -5.598 8.866 -3.468 513 HB ILE 64 HB ILE 64 -3.131 8.590 -2.859 514 1HG1 ILE 64 HG12 ILE 64 -5.159 8.086 -0.687 515 2HG1 ILE 64 HG13 ILE 64 -5.026 7.116 -2.154 516 1HG2 ILE 64 HG21 ILE 64 -3.141 10.869 -1.635 517 2HG2 ILE 64 HG22 ILE 64 -3.846 9.955 -0.298 518 3HG2 ILE 64 HG23 ILE 64 -2.261 9.515 -0.923 519 1HD1 ILE 64 HD11 ILE 64 -3.881 5.970 -0.432 520 2HD1 ILE 64 HD12 ILE 64 -2.641 6.679 -1.473 521 3HD1 ILE 64 HD13 ILE 64 -3.040 7.440 0.064 522 H ARG 65 HN ARG 65 -7.064 8.834 -1.842 523 HA ARG 65 HA ARG 65 -7.515 11.201 -0.186 524 1HB ARG 65 HB3 ARG 65 -9.537 10.120 -2.169 525 2HB ARG 65 HB2 ARG 65 -9.942 11.221 -0.864 526 1HG ARG 65 HG2 ARG 65 -7.912 11.912 -2.946 527 2HG ARG 65 HG3 ARG 65 -9.639 12.204 -3.167 528 1HD ARG 65 HD2 ARG 65 -9.669 13.535 -1.092 529 2HD ARG 65 HD3 ARG 65 -7.920 13.345 -0.960 530 HE ARG 65 HE ARG 65 -8.468 14.377 -3.492 531 1HH1 ARG 65 HH12 ARG 65 -8.670 15.762 -0.066 532 2HH1 ARG 65 HH11 ARG 65 -9.861 16.740 -0.878 533 1HH2 ARG 65 HH21 ARG 65 -8.982 17.000 -3.637 534 2HH2 ARG 65 HH22 ARG 65 -7.560 17.440 -2.740 535 H GLN 66 HN GLN 66 -9.904 10.576 0.924 536 HA GLN 66 HA GLN 66 -10.084 7.768 1.532 537 1HB GLN 66 HB2 GLN 66 -9.913 8.114 3.993 538 2HB GLN 66 HB3 GLN 66 -8.383 8.345 3.157 539 1HG GLN 66 HG3 GLN 66 -8.567 10.709 3.340 540 2HG GLN 66 HG2 GLN 66 -10.229 10.588 3.921 541 1HE2 GLN 66 HE21 GLN 66 -9.149 8.120 5.497 542 2HE2 GLN 66 HE22 GLN 66 -8.441 8.855 6.897 543 H HIS 67 HN HIS 67 -12.048 7.287 2.638 544 HA HIS 67 HA HIS 67 -13.936 9.519 2.898 545 1HB HIS 67 HB3 HIS 67 -14.478 6.939 1.411 546 2HB HIS 67 HB2 HIS 67 -15.706 8.117 1.865 547 HD1 HIS 67 HD1 HIS 67 -15.036 10.689 0.905 548 HD2 HIS 67 HD2 HIS 67 -13.600 7.342 -1.105 549 HE1 HIS 67 HE1 HIS 67 -14.373 11.488 -1.382 550 HE2 HIS 67 HE2 HIS 67 -13.672 9.420 -2.627 551 H THR 68 HN THR 68 -14.712 9.532 4.859 552 HA THR 68 HA THR 68 -14.405 7.267 6.589 553 HB THR 68 HB THR 68 -15.851 9.800 7.294 554 HG1 THR 68 HG1 THR 68 -13.030 9.382 7.163 555 1HG2 THR 68 HG21 THR 68 -15.319 7.709 8.873 556 2HG2 THR 68 HG22 THR 68 -15.346 9.374 9.447 557 3HG2 THR 68 HG23 THR 68 -13.809 8.600 9.057 558 H THR 69 HN THR 69 -17.164 8.686 7.730 559 HA THR 69 HA THR 69 -19.361 8.087 7.834 560 HB THR 69 HB THR 69 -18.945 6.520 5.277 561 HG1 THR 69 HG1 THR 69 -18.559 9.030 5.518 562 1HG2 THR 69 HG21 THR 69 -21.039 5.919 6.057 563 2HG2 THR 69 HG22 THR 69 -21.374 7.287 4.991 564 3HG2 THR 69 HG23 THR 69 -21.353 7.515 6.738 565 H ASP 70 HN ASP 70 -18.390 6.967 9.645 566 HA ASP 70 HA ASP 70 -18.469 5.181 11.080 567 1HB ASP 70 HB2 ASP 70 -20.426 4.313 9.849 568 2HB ASP 70 HB3 ASP 70 -19.345 3.562 8.684 569 H GLU 71 HN GLU 71 -17.575 3.420 8.166 570 HA GLU 71 HA GLU 71 -14.931 2.849 9.336 571 1HB GLU 71 HB3 GLU 71 -16.589 1.047 8.408 572 2HB GLU 71 HB2 GLU 71 -16.044 1.613 6.838 573 1HG GLU 71 HG3 GLU 71 -13.827 0.926 7.234 574 2HG GLU 71 HG2 GLU 71 -14.157 0.612 8.939 575 H ASP 72 HN ASP 72 -13.154 3.767 8.491 576 HA ASP 72 HA ASP 72 -13.537 5.634 6.271 577 1HB ASP 72 HB3 ASP 72 -12.347 6.183 8.509 578 2HB ASP 72 HB2 ASP 72 -10.978 5.333 7.800 579 H THR 73 HN THR 73 -12.969 5.196 4.327 580 HA THR 73 HA THR 73 -11.122 2.960 3.807 581 HB THR 73 HB THR 73 -13.344 4.129 2.147 582 HG1 THR 73 HG1 THR 73 -13.533 2.558 4.153 583 1HG2 THR 73 HG21 THR 73 -13.051 2.159 0.693 584 2HG2 THR 73 HG22 THR 73 -11.578 1.753 1.584 585 3HG2 THR 73 HG23 THR 73 -11.681 3.257 0.663 586 H ILE 74 HN ILE 74 -9.280 3.355 2.707 587 HA ILE 74 HA ILE 74 -8.704 6.066 1.830 588 HB ILE 74 HB ILE 74 -6.903 3.630 1.855 589 1HG1 ILE 74 HG12 ILE 74 -7.723 4.296 4.087 590 2HG1 ILE 74 HG13 ILE 74 -5.982 4.490 3.920 591 1HG2 ILE 74 HG21 ILE 74 -6.445 5.699 0.338 592 2HG2 ILE 74 HG22 ILE 74 -5.940 6.437 1.858 593 3HG2 ILE 74 HG23 ILE 74 -5.140 4.977 1.290 594 1HD1 ILE 74 HD11 ILE 74 -6.804 6.387 5.108 595 2HD1 ILE 74 HD12 ILE 74 -6.422 6.933 3.473 596 3HD1 ILE 74 HD13 ILE 74 -8.093 6.643 3.927 597 H VAL 75 HN VAL 75 -8.794 6.649 -0.321 598 HA VAL 75 HA VAL 75 -9.047 4.447 -2.246 599 HB VAL 75 HB VAL 75 -10.428 5.769 -3.607 600 1HG1 VAL 75 HG11 VAL 75 -11.304 4.900 -1.315 601 2HG1 VAL 75 HG12 VAL 75 -11.503 6.619 -0.975 602 3HG1 VAL 75 HG13 VAL 75 -12.327 5.890 -2.357 603 1HG2 VAL 75 HG21 VAL 75 -9.402 7.854 -3.693 604 2HG2 VAL 75 HG22 VAL 75 -11.014 8.152 -3.031 605 3HG2 VAL 75 HG23 VAL 75 -9.608 8.136 -1.962 606 H LEU 76 HN LEU 76 -7.930 4.478 -4.126 607 HA LEU 76 HA LEU 76 -5.884 6.574 -4.374 608 1HB LEU 76 HB2 LEU 76 -5.712 3.649 -5.156 609 2HB LEU 76 HB3 LEU 76 -4.534 4.867 -5.590 610 HG LEU 76 HG LEU 76 -4.162 5.222 -3.095 611 1HD1 LEU 76 HD11 LEU 76 -5.000 3.779 -1.541 612 2HD1 LEU 76 HD12 LEU 76 -6.309 3.644 -2.713 613 3HD1 LEU 76 HD13 LEU 76 -5.036 2.416 -2.665 614 1HD2 LEU 76 HD21 LEU 76 -3.119 3.393 -4.966 615 2HD2 LEU 76 HD22 LEU 76 -2.312 4.122 -3.580 616 3HD2 LEU 76 HD23 LEU 76 -3.155 2.586 -3.396 617 H GLN 77 HN GLN 77 -5.770 7.592 -6.330 618 HA GLN 77 HA GLN 77 -7.902 7.032 -8.219 619 1HB GLN 77 HB3 GLN 77 -6.085 9.346 -7.708 620 2HB GLN 77 HB2 GLN 77 -6.869 9.187 -9.270 621 1HG GLN 77 HG3 GLN 77 -9.056 9.121 -8.186 622 2HG GLN 77 HG2 GLN 77 -8.273 9.249 -6.612 623 1HE2 GLN 77 HE21 GLN 77 -8.616 11.222 -5.813 624 2HE2 GLN 77 HE22 GLN 77 -8.477 12.709 -6.694 625 HA PRO 78 HA PRO 78 -5.586 4.923 -11.180 626 1HB PRO 78 HB2 PRO 78 -7.382 6.114 -13.181 627 2HB PRO 78 HB3 PRO 78 -7.219 4.428 -12.685 628 1HG PRO 78 HG2 PRO 78 -9.381 5.850 -12.007 629 2HG PRO 78 HG3 PRO 78 -8.657 4.686 -10.879 630 1HD PRO 78 HD3 PRO 78 -8.343 7.654 -10.972 631 2HD PRO 78 HD2 PRO 78 -8.666 6.611 -9.573 632 H GLN 79 HN GLN 79 -3.727 6.569 -10.932 633 HA GLN 79 HA GLN 79 -3.345 8.682 -12.688 634 1HB GLN 79 HB3 GLN 79 -0.908 8.198 -12.238 635 2HB GLN 79 HB2 GLN 79 -1.917 8.440 -10.819 636 1HG GLN 79 HG3 GLN 79 -1.707 6.284 -10.145 637 2HG GLN 79 HG2 GLN 79 -1.594 5.667 -11.792 638 1HE2 GLN 79 HE21 GLN 79 0.191 4.533 -11.805 639 2HE2 GLN 79 HE22 GLN 79 1.764 5.188 -11.538 640 H GLU 80 HN GLU 80 -2.881 5.242 -13.271 641 HA GLU 80 HA GLU 80 -2.006 5.894 -15.997 642 1HB GLU 80 HB3 GLU 80 -0.779 3.998 -14.015 643 2HB GLU 80 HB2 GLU 80 -0.589 3.744 -15.741 644 1HG GLU 80 HG3 GLU 80 0.107 6.393 -14.551 645 2HG GLU 80 HG2 GLU 80 1.228 5.043 -14.399 646 HA PRO 81 HA PRO 81 -4.909 2.912 -17.481 647 1HB PRO 81 HB2 PRO 81 -2.890 2.003 -19.425 648 2HB PRO 81 HB3 PRO 81 -4.447 2.787 -19.703 649 1HG PRO 81 HG3 PRO 81 -2.153 4.100 -20.126 650 2HG PRO 81 HG2 PRO 81 -3.592 4.903 -19.462 651 1HD PRO 81 HD3 PRO 81 -1.180 3.850 -18.021 652 2HD PRO 81 HD2 PRO 81 -1.987 5.420 -17.830 653 H GLY 82 HN GLY 82 -5.419 0.907 -16.779 654 1HA GLY 82 HA1 GLY 82 -4.931 -1.435 -16.485 655 2HA GLY 82 HA2 GLY 82 -3.220 -1.023 -16.362 656 H LEU 83 HN LEU 83 -4.726 1.333 -14.870 657 HA LEU 83 HA LEU 83 -4.854 0.049 -12.234 658 1HB LEU 83 HB3 LEU 83 -2.780 1.312 -12.331 659 2HB LEU 83 HB2 LEU 83 -3.620 2.717 -12.954 660 HG LEU 83 HG LEU 83 -4.786 2.986 -10.803 661 1HD1 LEU 83 HD11 LEU 83 -3.195 0.563 -9.992 662 2HD1 LEU 83 HD12 LEU 83 -3.996 1.634 -8.851 663 3HD1 LEU 83 HD13 LEU 83 -4.949 0.713 -10.030 664 1HD2 LEU 83 HD21 LEU 83 -2.401 3.910 -11.279 665 2HD2 LEU 83 HD22 LEU 83 -2.960 3.890 -9.607 666 3HD2 LEU 83 HD23 LEU 83 -1.848 2.648 -10.182 667 HA PRO 84 HA PRO 84 -8.796 2.210 -12.979 668 1HB PRO 84 HB3 PRO 84 -10.374 0.355 -11.848 669 2HB PRO 84 HB2 PRO 84 -9.678 0.114 -13.450 670 1HG PRO 84 HG2 PRO 84 -8.803 -1.009 -10.818 671 2HG PRO 84 HG3 PRO 84 -8.878 -1.788 -12.407 672 1HD PRO 84 HD3 PRO 84 -6.580 -0.765 -11.287 673 2HD PRO 84 HD2 PRO 84 -6.848 -1.035 -13.021 674 H SER 85 HN SER 85 -10.688 1.650 -10.831 675 HA SER 85 HA SER 85 -9.645 3.572 -8.951 676 1HB SER 85 HB2 SER 85 -12.285 2.066 -8.833 677 2HB SER 85 HB3 SER 85 -11.852 3.542 -7.966 678 HG SER 85 HG SER 85 -11.983 3.295 -10.798 679 H PHE 86 HN PHE 86 -9.126 3.104 -6.775 680 HA PHE 86 HA PHE 86 -9.172 0.299 -5.984 681 1HB PHE 86 HB3 PHE 86 -7.049 0.496 -7.079 682 2HB PHE 86 HB2 PHE 86 -6.715 2.028 -6.288 683 HD1 PHE 86 HD1 PHE 86 -7.858 -1.172 -4.785 684 HD2 PHE 86 HD2 PHE 86 -4.783 1.723 -5.154 685 HE1 PHE 86 HE1 PHE 86 -6.561 -2.346 -3.056 686 HE2 PHE 86 HE2 PHE 86 -3.491 0.581 -3.407 687 HZ PHE 86 HZ PHE 86 -4.357 -1.451 -2.352 688 H ARG 87 HN ARG 87 -9.756 0.107 -3.950 689 HA ARG 87 HA ARG 87 -9.423 2.371 -2.098 690 1HB ARG 87 HB2 ARG 87 -11.904 0.716 -2.581 691 2HB ARG 87 HB3 ARG 87 -11.708 1.824 -1.233 692 1HG ARG 87 HG3 ARG 87 -12.069 3.631 -2.523 693 2HG ARG 87 HG2 ARG 87 -11.225 2.943 -3.912 694 1HD ARG 87 HD3 ARG 87 -13.689 3.249 -4.234 695 2HD ARG 87 HD2 ARG 87 -13.131 1.591 -4.482 696 HE ARG 87 HE ARG 87 -13.892 1.807 -1.813 697 1HH1 ARG 87 HH12 ARG 87 -16.220 2.711 -4.540 698 2HH1 ARG 87 HH11 ARG 87 -16.340 0.979 -4.704 699 1HH2 ARG 87 HH21 ARG 87 -16.775 1.951 -1.411 700 2HH2 ARG 87 HH22 ARG 87 -16.665 0.311 -1.973 701 H ILE 88 HN ILE 88 -8.938 1.805 -0.023 702 HA ILE 88 HA ILE 88 -8.937 -1.087 0.613 703 HB ILE 88 HB ILE 88 -6.874 -0.507 2.098 704 1HG1 ILE 88 HG12 ILE 88 -6.627 1.618 -0.046 705 2HG1 ILE 88 HG13 ILE 88 -6.895 1.909 1.673 706 1HG2 ILE 88 HG21 ILE 88 -5.910 -1.919 0.679 707 2HG2 ILE 88 HG22 ILE 88 -7.210 -1.620 -0.475 708 3HG2 ILE 88 HG23 ILE 88 -5.742 -0.642 -0.527 709 1HD1 ILE 88 HD11 ILE 88 -4.432 1.068 0.254 710 2HD1 ILE 88 HD12 ILE 88 -4.634 2.186 1.596 711 3HD1 ILE 88 HD13 ILE 88 -4.692 0.437 1.877 712 H LYS 89 HN LYS 89 -9.831 -1.643 2.501 713 HA LYS 89 HA LYS 89 -10.431 0.541 4.376 714 1HB LYS 89 HB3 LYS 89 -12.411 -0.779 5.055 715 2HB LYS 89 HB2 LYS 89 -12.456 -0.335 3.353 716 1HG LYS 89 HG2 LYS 89 -12.027 -2.505 2.632 717 2HG LYS 89 HG3 LYS 89 -11.403 -3.003 4.216 718 1HD LYS 89 HD2 LYS 89 -13.699 -2.621 5.111 719 2HD LYS 89 HD3 LYS 89 -14.225 -2.406 3.440 720 1HE LYS 89 HE2 LYS 89 -13.578 -4.632 2.873 721 2HE LYS 89 HE3 LYS 89 -12.780 -4.838 4.432 722 1HZ LYS 89 HZ1 LYS 89 -15.516 -5.236 3.722 723 2HZ LYS 89 HZ2 LYS 89 -15.387 -4.176 5.036 724 3HZ LYS 89 HZ3 LYS 89 -14.700 -5.725 5.122 725 HA PRO 90 HA PRO 90 -7.955 -1.780 7.156 726 1HB PRO 90 HB3 PRO 90 -9.060 -0.357 9.403 727 2HB PRO 90 HB2 PRO 90 -7.496 -0.134 8.618 728 1HG PRO 90 HG3 PRO 90 -9.549 1.703 8.540 729 2HG PRO 90 HG2 PRO 90 -8.258 1.584 7.328 730 1HD PRO 90 HD3 PRO 90 -11.067 0.553 7.230 731 2HD PRO 90 HD2 PRO 90 -10.101 1.288 5.929 732 H LYS 91 HN LYS 91 -9.706 -3.459 6.486 733 HA LYS 91 HA LYS 91 -10.990 -4.382 8.966 734 1HB LYS 91 HB2 LYS 91 -12.429 -3.525 6.817 735 2HB LYS 91 HB3 LYS 91 -12.282 -5.249 6.493 736 1HG LYS 91 HG3 LYS 91 -14.317 -4.696 7.748 737 2HG LYS 91 HG2 LYS 91 -13.241 -5.790 8.622 738 1HD LYS 91 HD2 LYS 91 -12.373 -3.940 9.939 739 2HD LYS 91 HD3 LYS 91 -13.379 -2.801 9.040 740 1HE LYS 91 HE2 LYS 91 -14.439 -5.085 10.681 741 2HE LYS 91 HE3 LYS 91 -14.301 -3.422 11.258 742 1HZ LYS 91 HZ1 LYS 91 -16.472 -3.627 10.506 743 2HZ LYS 91 HZ2 LYS 91 -16.030 -4.473 9.105 744 3HZ LYS 91 HZ3 LYS 91 -15.669 -2.820 9.244 745 H ASP 92 HN ASP 92 -8.570 -5.201 8.462 746 HA ASP 92 HA ASP 92 -8.826 -8.019 8.379 747 1HB ASP 92 HB3 ASP 92 -8.604 -7.223 5.917 748 2HB ASP 92 HB2 ASP 92 -6.932 -6.885 6.342 749 H PHE 93 HN PHE 93 -7.246 -8.868 9.705 750 HA PHE 93 HA PHE 93 -4.639 -7.836 9.962 751 1HB PHE 93 HB3 PHE 93 -4.701 -6.770 12.132 752 2HB PHE 93 HB2 PHE 93 -5.792 -5.936 11.038 753 HD1 PHE 93 HD1 PHE 93 -5.721 -5.812 14.105 754 HD2 PHE 93 HD2 PHE 93 -8.038 -8.128 11.363 755 HE1 PHE 93 HE1 PHE 93 -7.552 -5.966 15.747 756 HE2 PHE 93 HE2 PHE 93 -9.863 -8.263 13.010 757 HZ PHE 93 HZ PHE 93 -9.613 -7.194 15.204 758 H GLU 94 HN GLU 94 -3.588 -8.549 12.032 759 HA GLU 94 HA GLU 94 -4.376 -11.310 12.595 760 1HB GLU 94 HB2 GLU 94 -2.027 -10.960 11.934 761 2HB GLU 94 HB3 GLU 94 -1.845 -9.720 13.164 762 1HG GLU 94 HG3 GLU 94 -0.799 -11.595 14.039 763 2HG GLU 94 HG2 GLU 94 -2.350 -11.526 14.865 764 H THR 95 HN THR 95 -3.239 -8.380 14.205 765 HA THR 95 HA THR 95 -5.231 -8.477 16.279 766 HB THR 95 HB THR 95 -2.319 -8.761 17.081 767 HG1 THR 95 HG1 THR 95 -4.217 -10.677 16.503 768 1HG2 THR 95 HG21 THR 95 -4.435 -9.469 18.953 769 2HG2 THR 95 HG22 THR 95 -4.391 -7.753 18.556 770 3HG2 THR 95 HG23 THR 95 -2.964 -8.545 19.233 771 H SER 96 HN SER 96 -5.313 -6.446 17.408 772 HA SER 96 HA SER 96 -4.901 -4.300 17.872 773 1HB SER 96 HB3 SER 96 -2.540 -4.873 18.024 774 2HB SER 96 HB2 SER 96 -2.367 -4.630 16.291 775 HG SER 96 HG SER 96 -2.449 -2.797 18.333 776 H GLU 97 HN GLU 97 -6.728 -3.851 16.712 777 HA GLU 97 HA GLU 97 -6.778 -3.164 13.953 778 1HB GLU 97 HB3 GLU 97 -8.783 -3.678 15.243 779 2HB GLU 97 HB2 GLU 97 -8.508 -2.279 16.265 780 1HG GLU 97 HG2 GLU 97 -8.764 -0.870 14.220 781 2HG GLU 97 HG3 GLU 97 -9.217 -2.336 13.353 782 H TYR 98 HN TYR 98 -5.553 -1.761 16.707 783 HA TYR 98 HA TYR 98 -5.600 1.007 16.263 784 1HB TYR 98 HB2 TYR 98 -3.323 -0.603 17.448 785 2HB TYR 98 HB3 TYR 98 -3.579 1.125 17.656 786 HD1 TYR 98 HD1 TYR 98 -5.556 -2.033 18.185 787 HD2 TYR 98 HD2 TYR 98 -4.428 1.794 19.670 788 HE1 TYR 98 HE1 TYR 98 -6.876 -2.438 20.218 789 HE2 TYR 98 HE2 TYR 98 -5.732 1.398 21.704 790 HH TYR 98 HH TYR 98 -6.566 -1.202 22.870 791 H VAL 99 HN VAL 99 -3.307 -1.441 15.153 792 HA VAL 99 HA VAL 99 -1.568 0.235 13.748 793 HB VAL 99 HB VAL 99 -2.205 -2.695 13.330 794 1HG1 VAL 99 HG21 VAL 99 -0.857 -2.783 11.564 795 2HG1 VAL 99 HG22 VAL 99 -0.761 -1.022 11.598 796 3HG1 VAL 99 HG23 VAL 99 0.439 -1.989 12.459 797 1HG2 VAL 99 HG11 VAL 99 -1.125 -1.622 15.513 798 2HG2 VAL 99 HG12 VAL 99 -0.591 -3.181 14.884 799 3HG2 VAL 99 HG13 VAL 99 0.335 -1.715 14.535 800 H ARG 100 HN ARG 100 -4.635 -1.179 12.784 801 HA ARG 100 HA ARG 100 -4.450 -0.723 9.983 802 1HB ARG 100 HB2 ARG 100 -6.715 -1.089 11.914 803 2HB ARG 100 HB3 ARG 100 -7.062 -0.554 10.277 804 1HG ARG 100 HG3 ARG 100 -7.321 -2.807 10.048 805 2HG ARG 100 HG2 ARG 100 -5.620 -2.628 9.617 806 1HD ARG 100 HD2 ARG 100 -6.327 -3.143 12.473 807 2HD ARG 100 HD3 ARG 100 -6.364 -4.481 11.325 808 HE ARG 100 HE ARG 100 -4.068 -3.379 12.509 809 1HH1 ARG 100 HH11 ARG 100 -5.015 -5.116 9.469 810 2HH1 ARG 100 HH12 ARG 100 -3.628 -4.404 8.705 811 1HH2 ARG 100 HH22 ARG 100 -2.088 -5.151 11.437 812 2HH2 ARG 100 HH21 ARG 100 -1.769 -3.913 10.265 813 H LYS 101 HN LYS 101 -5.630 1.216 12.666 814 HA LYS 101 HA LYS 101 -6.582 3.423 11.148 815 1HB LYS 101 HB2 LYS 101 -7.049 2.746 13.597 816 2HB LYS 101 HB3 LYS 101 -5.558 3.585 13.957 817 1HG LYS 101 HG3 LYS 101 -6.517 5.636 12.958 818 2HG LYS 101 HG2 LYS 101 -8.042 4.771 12.744 819 1HD LYS 101 HD3 LYS 101 -6.641 5.326 15.359 820 2HD LYS 101 HD2 LYS 101 -8.109 6.107 14.780 821 1HE LYS 101 HE3 LYS 101 -9.254 3.924 14.840 822 2HE LYS 101 HE2 LYS 101 -7.782 3.192 15.475 823 1HZ LYS 101 HZ1 LYS 101 -9.789 4.748 16.831 824 2HZ LYS 101 HZ2 LYS 101 -8.201 5.245 17.175 825 3HZ LYS 101 HZ3 LYS 101 -8.660 3.639 17.447 826 H ALA 102 HN ALA 102 -3.515 2.517 12.602 827 HA ALA 102 HA ALA 102 -2.253 5.032 12.278 828 1HB ALA 102 HB1 ALA 102 -0.627 2.558 12.434 829 2HB ALA 102 HB2 ALA 102 -0.433 4.104 13.258 830 3HB ALA 102 HB3 ALA 102 -1.669 2.963 13.799 831 H TRP 103 HN TRP 103 -3.349 3.204 9.840 832 HA TRP 103 HA TRP 103 -0.983 3.626 8.143 833 1HB TRP 103 HB3 TRP 103 -3.205 1.705 8.033 834 2HB TRP 103 HB2 TRP 103 -2.788 2.438 6.484 835 HD1 TRP 103 HD1 TRP 103 -1.209 0.364 9.299 836 HE1 TRP 103 HE1 TRP 103 0.841 -0.897 8.368 837 HE3 TRP 103 HE3 TRP 103 -1.069 2.385 4.604 838 HZ2 TRP 103 HZ2 TRP 103 2.354 -0.966 5.952 839 HZ3 TRP 103 HZ3 TRP 103 0.718 1.620 3.076 840 HH2 TRP 103 HH2 TRP 103 2.359 -0.006 3.737 841 H LEU 104 HN LEU 104 -4.122 4.751 8.923 842 HA LEU 104 HA LEU 104 -4.612 6.202 6.526 843 1HB LEU 104 HB2 LEU 104 -5.686 6.361 9.322 844 2HB LEU 104 HB3 LEU 104 -6.051 7.643 8.183 845 HG LEU 104 HG LEU 104 -7.016 5.899 6.644 846 1HD1 LEU 104 HD11 LEU 104 -6.079 4.151 8.800 847 2HD1 LEU 104 HD12 LEU 104 -7.716 3.836 8.227 848 3HD1 LEU 104 HD13 LEU 104 -6.367 3.816 7.091 849 1HD2 LEU 104 HD21 LEU 104 -8.863 6.754 7.549 850 2HD2 LEU 104 HD22 LEU 104 -8.847 5.391 8.665 851 3HD2 LEU 104 HD23 LEU 104 -8.092 6.916 9.129 852 H ARG 105 HN ARG 105 -2.845 6.768 9.460 853 HA ARG 105 HA ARG 105 -2.273 9.543 8.974 854 1HB ARG 105 HB3 ARG 105 -1.254 7.494 10.886 855 2HB ARG 105 HB2 ARG 105 -0.286 8.935 10.610 856 1HG ARG 105 HG3 ARG 105 -2.706 10.057 11.032 857 2HG ARG 105 HG2 ARG 105 -2.845 8.610 12.036 858 1HD ARG 105 HD3 ARG 105 -1.946 10.611 13.243 859 2HD ARG 105 HD2 ARG 105 -0.878 9.207 13.295 860 HE ARG 105 HE ARG 105 -0.128 10.756 11.110 861 1HH1 ARG 105 HH12 ARG 105 -0.292 11.627 14.588 862 2HH1 ARG 105 HH11 ARG 105 1.445 11.680 14.627 863 1HH2 ARG 105 HH21 ARG 105 2.133 11.676 11.466 864 2HH2 ARG 105 HH22 ARG 105 1.667 13.152 12.254 865 H ASP 106 HN ASP 106 -0.843 6.480 8.156 866 HA ASP 106 HA ASP 106 1.642 7.422 7.199 867 1HB ASP 106 HB2 ASP 106 0.062 4.888 6.756 868 2HB ASP 106 HB3 ASP 106 1.537 5.201 5.849 869 H ILE 107 HN ILE 107 -1.554 7.328 5.948 870 HA ILE 107 HA ILE 107 -0.704 7.961 3.232 871 HB ILE 107 HB ILE 107 -3.243 7.023 4.452 872 1HG1 ILE 107 HG13 ILE 107 -3.358 5.714 2.375 873 2HG1 ILE 107 HG12 ILE 107 -1.930 6.553 1.776 874 1HG2 ILE 107 HG21 ILE 107 -3.376 8.513 1.852 875 2HG2 ILE 107 HG22 ILE 107 -4.696 7.807 2.788 876 3HG2 ILE 107 HG23 ILE 107 -3.842 9.221 3.398 877 1HD1 ILE 107 HD11 ILE 107 -0.542 5.290 2.972 878 2HD1 ILE 107 HD12 ILE 107 -1.584 5.289 4.393 879 3HD1 ILE 107 HD13 ILE 107 -1.905 4.178 3.052 880 H ALA 108 HN ALA 108 -1.915 9.494 6.097 881 HA ALA 108 HA ALA 108 -2.847 11.896 4.879 882 1HB ALA 108 HB1 ALA 108 -3.656 11.410 7.060 883 2HB ALA 108 HB2 ALA 108 -2.028 11.194 7.690 884 3HB ALA 108 HB3 ALA 108 -2.593 12.807 7.233 885 H GLU 109 HN GLU 109 0.215 10.576 5.767 886 HA GLU 109 HA GLU 109 1.632 12.637 4.427 887 1HB GLU 109 HB2 GLU 109 3.152 13.186 6.362 888 2HB GLU 109 HB3 GLU 109 1.548 13.893 6.440 889 1HG GLU 109 HG2 GLU 109 0.877 12.167 8.038 890 2HG GLU 109 HG3 GLU 109 2.507 11.499 7.970 891 H GLU 110 HN GLU 110 2.127 10.936 3.205 892 HA GLU 110 HA GLU 110 3.186 8.486 4.056 893 1HB GLU 110 HB2 GLU 110 3.855 8.204 1.697 894 2HB GLU 110 HB3 GLU 110 2.189 8.726 1.886 895 1HG GLU 110 HG3 GLU 110 4.330 10.744 1.350 896 2HG GLU 110 HG2 GLU 110 3.641 9.786 0.041 897 H GLN 111 HN GLN 111 5.304 7.656 3.497 898 HA GLN 111 HA GLN 111 7.489 7.481 3.863 899 1HB GLN 111 HB2 GLN 111 7.154 9.954 2.307 900 2HB GLN 111 HB3 GLN 111 8.769 9.585 2.895 901 1HG GLN 111 HG3 GLN 111 8.633 7.416 1.758 902 2HG GLN 111 HG2 GLN 111 7.019 7.826 1.186 903 1HE2 GLN 111 HE21 GLN 111 8.033 10.679 0.847 904 2HE2 GLN 111 HE22 GLN 111 8.687 10.593 -0.751 905 H GLU 112 HN GLU 112 7.118 7.540 6.179 906 HA GLU 112 HA GLU 112 7.263 9.834 7.790 907 1HB GLU 112 HB2 GLU 112 8.302 7.077 8.436 908 2HB GLU 112 HB3 GLU 112 7.888 8.327 9.595 909 1HG GLU 112 HG2 GLU 112 5.573 8.140 9.044 910 2HG GLU 112 HG3 GLU 112 5.934 6.990 7.750 911 H LYS 113 HN LYS 113 9.720 7.536 6.786 912 HA LYS 113 HA LYS 113 11.874 8.774 8.101 913 1HB LYS 113 HB3 LYS 113 11.734 6.748 5.869 914 2HB LYS 113 HB2 LYS 113 13.268 7.317 6.512 915 1HG LYS 113 HG2 LYS 113 12.784 5.280 7.572 916 2HG LYS 113 HG3 LYS 113 12.531 6.557 8.756 917 1HD LYS 113 HD2 LYS 113 10.064 6.420 8.210 918 2HD LYS 113 HD3 LYS 113 10.444 4.967 7.280 919 1HE LYS 113 HE2 LYS 113 11.494 4.019 9.336 920 2HE LYS 113 HE3 LYS 113 10.893 5.407 10.236 921 1HZ LYS 113 HZ1 LYS 113 9.395 3.168 9.040 922 2HZ LYS 113 HZ2 LYS 113 8.614 4.649 9.308 923 3HZ LYS 113 HZ3 LYS 113 9.298 3.808 10.612 924 H TYR 114 HN TYR 114 10.160 9.801 5.447 925 HA TYR 114 HA TYR 114 12.293 10.979 3.942 926 1HB TYR 114 HB2 TYR 114 9.911 10.507 3.099 927 2HB TYR 114 HB3 TYR 114 9.435 11.944 4.000 928 HD1 TYR 114 HD1 TYR 114 10.617 14.140 3.404 929 HD2 TYR 114 HD2 TYR 114 10.774 10.716 0.934 930 HE1 TYR 114 HE1 TYR 114 11.289 15.564 1.523 931 HE2 TYR 114 HE2 TYR 114 11.367 12.111 -0.988 932 HH TYR 114 HH TYR 114 11.005 14.683 -1.577 933 H ALA 115 HN ALA 115 10.281 11.851 6.644 934 HA ALA 115 HA ALA 115 11.374 14.547 6.777 935 1HB ALA 115 HB1 ALA 115 8.874 13.856 7.237 936 2HB ALA 115 HB2 ALA 115 9.505 13.462 8.837 937 3HB ALA 115 HB3 ALA 115 9.655 15.101 8.212 938 H ALA 116 HN ALA 116 11.641 15.141 9.313 939 HA ALA 116 HA ALA 116 12.919 14.974 11.183 940 1HB ALA 116 HB1 ALA 116 14.013 12.330 11.078 941 2HB ALA 116 HB2 ALA 116 12.873 13.025 12.230 942 3HB ALA 116 HB3 ALA 116 12.282 12.276 10.746 943 H GLU 117 HN GLU 117 14.091 13.784 8.153 944 HA GLU 117 HA GLU 117 16.881 13.973 8.690 945 1HB GLU 117 HB3 GLU 117 15.258 14.063 6.147 946 2HB GLU 117 HB2 GLU 117 17.013 14.145 6.157 947 1HG GLU 117 HG3 GLU 117 15.405 11.880 7.313 948 2HG GLU 117 HG2 GLU 117 16.102 11.875 5.694 949 H ARG 118 HN ARG 118 14.502 16.144 7.248 950 HA ARG 118 HA ARG 118 16.112 18.441 8.018 951 1HB ARG 118 HB3 ARG 118 17.053 17.908 5.861 952 2HB ARG 118 HB2 ARG 118 15.452 17.739 5.161 953 1HG ARG 118 HG2 ARG 118 15.049 20.139 5.465 954 2HG ARG 118 HG3 ARG 118 16.683 20.322 6.110 955 1HD ARG 118 HD2 ARG 118 16.498 20.924 3.717 956 2HD ARG 118 HD3 ARG 118 17.647 19.628 4.041 957 HE ARG 118 HE ARG 118 16.431 18.306 2.661 958 1HH1 ARG 118 HH11 ARG 118 13.927 21.080 2.648 959 2HH1 ARG 118 HH12 ARG 118 13.190 20.048 3.845 960 1HH2 ARG 118 HH22 ARG 118 14.288 17.335 1.924 961 2HH2 ARG 118 HH21 ARG 118 13.717 18.661 0.952 962 H ASP 119 HN ASP 119 13.189 17.163 6.507 963 HA ASP 119 HA ASP 119 11.018 17.803 6.538 964 1HB ASP 119 HB3 ASP 119 12.032 19.253 8.946 965 2HB ASP 119 HB2 ASP 119 10.453 19.696 8.302 Start of MODEL 20 1 1H MET 1 HT1 MET 1 6.203 -13.603 10.440 2 2H MET 1 HT2 MET 1 4.946 -14.413 9.586 3 3H MET 1 HT3 MET 1 4.789 -12.746 9.991 4 HA MET 1 HA MET 1 6.623 -13.967 8.075 5 1HB MET 1 HB3 MET 1 4.333 -12.001 7.922 6 2HB MET 1 HB2 MET 1 5.482 -12.246 6.617 7 1HG MET 1 HG2 MET 1 4.824 -14.658 6.629 8 2HG MET 1 HG3 MET 1 3.540 -14.232 7.760 9 1HE MET 1 HE1 MET 1 1.496 -15.146 5.672 10 2HE MET 1 HE2 MET 1 2.223 -15.001 4.074 11 3HE MET 1 HE3 MET 1 3.118 -15.783 5.376 12 H GLY 2 HN GLY 2 8.084 -12.486 7.023 13 1HA GLY 2 HA1 GLY 2 8.685 -9.944 7.255 14 2HA GLY 2 HA2 GLY 2 9.117 -10.463 8.879 15 H ASP 3 HN ASP 3 11.077 -9.362 7.400 16 HA ASP 3 HA ASP 3 12.668 -11.648 6.402 17 1HB ASP 3 HB2 ASP 3 12.799 -8.698 5.701 18 2HB ASP 3 HB3 ASP 3 14.091 -9.823 5.300 19 H THR 4 HN THR 4 14.842 -9.307 6.633 20 HA THR 4 HA THR 4 15.852 -10.257 9.177 21 HB THR 4 HB THR 4 17.086 -8.091 7.511 22 HG1 THR 4 HG1 THR 4 17.151 -10.898 7.070 23 1HG2 THR 4 HG21 THR 4 18.059 -9.978 9.577 24 2HG2 THR 4 HG22 THR 4 18.472 -8.290 9.297 25 3HG2 THR 4 HG23 THR 4 19.161 -9.549 8.273 26 H GLY 5 HN GLY 5 13.732 -9.234 9.976 27 1HA GLY 5 HA2 GLY 5 14.253 -7.230 11.797 28 2HA GLY 5 HA1 GLY 5 13.619 -6.416 10.370 29 H LYS 6 HN LYS 6 12.262 -6.350 12.798 30 HA LYS 6 HA LYS 6 10.156 -8.329 12.708 31 1HB LYS 6 HB3 LYS 6 10.583 -5.954 14.530 32 2HB LYS 6 HB2 LYS 6 9.279 -7.123 14.698 33 1HG LYS 6 HG3 LYS 6 10.909 -8.903 15.010 34 2HG LYS 6 HG2 LYS 6 12.215 -7.731 14.842 35 1HD LYS 6 HD3 LYS 6 11.451 -6.552 16.841 36 2HD LYS 6 HD2 LYS 6 10.116 -7.699 16.991 37 1HE LYS 6 HE2 LYS 6 11.720 -9.538 17.252 38 2HE LYS 6 HE3 LYS 6 13.050 -8.394 17.093 39 1HZ LYS 6 HZ1 LYS 6 11.442 -7.423 19.128 40 2HZ LYS 6 HZ2 LYS 6 12.972 -8.139 19.277 41 3HZ LYS 6 HZ3 LYS 6 11.573 -9.086 19.409 42 H LEU 7 HN LEU 7 7.953 -6.888 13.481 43 HA LEU 7 HA LEU 7 7.082 -5.893 10.919 44 1HB LEU 7 HB2 LEU 7 5.742 -7.311 12.602 45 2HB LEU 7 HB3 LEU 7 5.488 -5.809 13.472 46 HG LEU 7 HG LEU 7 4.373 -4.860 11.483 47 1HD1 LEU 7 HD11 LEU 7 5.482 -7.220 10.226 48 2HD1 LEU 7 HD12 LEU 7 3.731 -7.151 10.042 49 3HD1 LEU 7 HD13 LEU 7 4.719 -5.803 9.480 50 1HD2 LEU 7 HD21 LEU 7 3.419 -6.791 13.280 51 2HD2 LEU 7 HD22 LEU 7 2.510 -5.568 12.397 52 3HD2 LEU 7 HD23 LEU 7 2.700 -7.184 11.711 53 H GLY 8 HN GLY 8 8.896 -4.148 11.333 54 1HA GLY 8 HA1 GLY 8 7.574 -1.788 12.516 55 2HA GLY 8 HA2 GLY 8 9.323 -2.013 12.461 56 H ARG 9 HN ARG 9 7.320 -3.019 9.828 57 HA ARG 9 HA ARG 9 8.757 -1.580 7.910 58 1HB ARG 9 HB3 ARG 9 6.128 -2.999 7.878 59 2HB ARG 9 HB2 ARG 9 6.609 -2.031 6.493 60 1HG ARG 9 HG3 ARG 9 7.368 -4.113 5.892 61 2HG ARG 9 HG2 ARG 9 8.806 -3.386 6.606 62 1HD ARG 9 HD2 ARG 9 8.194 -4.521 8.753 63 2HD ARG 9 HD3 ARG 9 6.929 -5.365 7.860 64 HE ARG 9 HE ARG 9 8.534 -6.684 6.862 65 1HH1 ARG 9 HH12 ARG 9 10.367 -5.306 9.428 66 2HH1 ARG 9 HH11 ARG 9 11.173 -4.214 8.334 67 1HH2 ARG 9 HH22 ARG 9 10.600 -7.216 6.178 68 2HH2 ARG 9 HH21 ARG 9 11.976 -6.399 6.857 69 H ILE 10 HN ILE 10 8.929 0.498 8.096 70 HA ILE 10 HA ILE 10 7.088 2.298 9.096 71 HB ILE 10 HB ILE 10 9.382 2.950 8.856 72 1HG1 ILE 10 HG13 ILE 10 7.835 4.681 6.918 73 2HG1 ILE 10 HG12 ILE 10 7.610 4.730 8.665 74 1HG2 ILE 10 HG21 ILE 10 9.784 1.599 6.774 75 2HG2 ILE 10 HG22 ILE 10 9.080 2.937 5.865 76 3HG2 ILE 10 HG23 ILE 10 10.549 3.191 6.799 77 1HD1 ILE 10 HD11 ILE 10 9.273 6.341 7.329 78 2HD1 ILE 10 HD12 ILE 10 9.494 5.873 9.016 79 3HD1 ILE 10 HD13 ILE 10 10.383 5.033 7.750 80 H ILE 11 HN ILE 11 5.097 2.501 8.397 81 HA ILE 11 HA ILE 11 3.341 3.172 7.168 82 HB ILE 11 HB ILE 11 5.330 3.724 4.967 83 1HG1 ILE 11 HG12 ILE 11 4.141 5.599 7.031 84 2HG1 ILE 11 HG13 ILE 11 5.834 5.132 6.884 85 1HG2 ILE 11 HG21 ILE 11 2.454 3.886 5.091 86 2HG2 ILE 11 HG22 ILE 11 3.211 5.420 4.685 87 3HG2 ILE 11 HG23 ILE 11 3.539 4.002 3.701 88 1HD1 ILE 11 HD11 ILE 11 4.704 7.330 5.779 89 2HD1 ILE 11 HD12 ILE 11 6.242 6.606 5.325 90 3HD1 ILE 11 HD13 ILE 11 4.768 6.202 4.418 91 H ARG 12 HN ARG 12 5.559 0.907 5.474 92 HA ARG 12 HA ARG 12 3.578 0.318 3.561 93 1HB ARG 12 HB3 ARG 12 5.046 -0.824 2.413 94 2HB ARG 12 HB2 ARG 12 6.165 0.129 3.393 95 1HG ARG 12 HG2 ARG 12 6.344 -1.788 4.977 96 2HG ARG 12 HG3 ARG 12 5.329 -2.726 3.885 97 1HD ARG 12 HD2 ARG 12 8.087 -1.651 3.328 98 2HD ARG 12 HD3 ARG 12 7.616 -3.335 3.519 99 HE ARG 12 HE ARG 12 6.312 -1.964 1.353 100 1HH1 ARG 12 HH11 ARG 12 8.224 -5.082 1.409 101 2HH1 ARG 12 HH12 ARG 12 9.505 -3.957 1.802 102 1HH2 ARG 12 HH21 ARG 12 7.608 -2.217 -0.861 103 2HH2 ARG 12 HH22 ARG 12 7.189 -3.905 -0.843 104 H HIS 13 HN HIS 13 3.829 -1.256 6.648 105 HA HIS 13 HA HIS 13 2.731 -3.509 5.177 106 1HB HIS 13 HB3 HIS 13 4.901 -3.714 6.480 107 2HB HIS 13 HB2 HIS 13 3.906 -3.668 7.941 108 HD1 HIS 13 HD1 HIS 13 1.967 -5.638 8.041 109 HD2 HIS 13 HD2 HIS 13 5.241 -6.276 5.540 110 HE1 HIS 13 HE1 HIS 13 1.950 -8.078 7.503 111 HE2 HIS 13 HE2 HIS 13 3.792 -8.400 5.843 112 H ASP 14 HN ASP 14 0.763 -3.896 5.153 113 HA ASP 14 HA ASP 14 -0.756 -4.423 7.504 114 1HB ASP 14 HB2 ASP 14 -1.019 -1.865 7.182 115 2HB ASP 14 HB3 ASP 14 -1.986 -2.293 5.773 116 H ALA 15 HN ALA 15 -2.707 -5.509 7.018 117 HA ALA 15 HA ALA 15 -2.725 -6.660 4.308 118 1HB ALA 15 HB1 ALA 15 -4.268 -7.673 6.689 119 2HB ALA 15 HB2 ALA 15 -3.816 -8.541 5.220 120 3HB ALA 15 HB3 ALA 15 -2.582 -8.104 6.401 121 H PHE 16 HN PHE 16 -4.045 -5.764 2.945 122 HA PHE 16 HA PHE 16 -6.579 -4.631 3.932 123 1HB PHE 16 HB2 PHE 16 -4.795 -3.880 1.650 124 2HB PHE 16 HB3 PHE 16 -6.454 -3.301 1.766 125 HD1 PHE 16 HD1 PHE 16 -7.031 -2.226 4.126 126 HD2 PHE 16 HD2 PHE 16 -3.141 -2.593 2.506 127 HE1 PHE 16 HE1 PHE 16 -6.247 -0.355 5.530 128 HE2 PHE 16 HE2 PHE 16 -2.368 -0.694 3.881 129 HZ PHE 16 HZ PHE 16 -3.937 0.414 5.395 130 H GLN 17 HN GLN 17 -8.034 -6.117 3.723 131 HA GLN 17 HA GLN 17 -8.315 -7.595 1.193 132 1HB GLN 17 HB3 GLN 17 -8.512 -8.866 3.335 133 2HB GLN 17 HB2 GLN 17 -9.863 -7.837 3.785 134 1HG GLN 17 HG3 GLN 17 -11.149 -8.673 1.909 135 2HG GLN 17 HG2 GLN 17 -9.789 -9.678 1.398 136 1HE2 GLN 17 HE21 GLN 17 -9.908 -11.717 2.051 137 2HE2 GLN 17 HE22 GLN 17 -10.641 -12.268 3.514 138 H VAL 18 HN VAL 18 -9.409 -6.515 -0.293 139 HA VAL 18 HA VAL 18 -11.861 -5.173 0.414 140 HB VAL 18 HB VAL 18 -10.293 -3.569 1.170 141 1HG1 VAL 18 HG11 VAL 18 -8.633 -4.587 -0.712 142 2HG1 VAL 18 HG12 VAL 18 -8.986 -2.999 -1.388 143 3HG1 VAL 18 HG13 VAL 18 -8.302 -3.143 0.240 144 1HG2 VAL 18 HG21 VAL 18 -10.906 -1.611 -0.153 145 2HG2 VAL 18 HG22 VAL 18 -11.387 -2.652 -1.492 146 3HG2 VAL 18 HG23 VAL 18 -12.279 -2.699 0.031 147 H TRP 19 HN TRP 19 -12.901 -4.265 -1.289 148 HA TRP 19 HA TRP 19 -13.103 -5.808 -3.556 149 1HB TRP 19 HB2 TRP 19 -14.118 -3.012 -3.105 150 2HB TRP 19 HB3 TRP 19 -14.845 -4.263 -4.112 151 HD1 TRP 19 HD1 TRP 19 -15.966 -6.409 -2.733 152 HE1 TRP 19 HE1 TRP 19 -17.083 -6.482 -0.428 153 HE3 TRP 19 HE3 TRP 19 -13.990 -2.121 -0.714 154 HZ2 TRP 19 HZ2 TRP 19 -17.071 -4.962 1.948 155 HZ3 TRP 19 HZ3 TRP 19 -14.572 -1.534 1.589 156 HH2 TRP 19 HH2 TRP 19 -16.095 -2.940 2.899 157 H GLU 20 HN GLU 20 -11.735 -5.904 -5.152 158 HA GLU 20 HA GLU 20 -10.187 -3.550 -5.961 159 1HB GLU 20 HB2 GLU 20 -9.050 -5.726 -5.436 160 2HB GLU 20 HB3 GLU 20 -9.852 -6.408 -6.840 161 1HG GLU 20 HG3 GLU 20 -8.295 -3.959 -7.285 162 2HG GLU 20 HG2 GLU 20 -7.396 -5.428 -6.907 163 H GLY 21 HN GLY 21 -11.183 -2.377 -7.454 164 1HA GLY 21 HA1 GLY 21 -12.073 -1.797 -9.471 165 2HA GLY 21 HA2 GLY 21 -11.583 -3.385 -10.027 166 H ASP 22 HN ASP 22 -13.087 -5.102 -9.986 167 HA ASP 22 HA ASP 22 -15.807 -4.259 -10.455 168 1HB ASP 22 HB3 ASP 22 -14.752 -7.093 -10.241 169 2HB ASP 22 HB2 ASP 22 -16.248 -6.581 -11.017 170 H GLU 23 HN GLU 23 -14.896 -3.828 -7.765 171 HA GLU 23 HA GLU 23 -15.375 -4.025 -5.614 172 1HB GLU 23 HB3 GLU 23 -17.945 -4.326 -7.013 173 2HB GLU 23 HB2 GLU 23 -17.929 -4.632 -5.279 174 1HG GLU 23 HG2 GLU 23 -16.600 -2.348 -5.247 175 2HG GLU 23 HG3 GLU 23 -17.421 -2.127 -6.791 176 HA PRO 24 HA PRO 24 -15.755 -8.616 -4.872 177 1HB PRO 24 HB2 PRO 24 -13.578 -9.843 -5.841 178 2HB PRO 24 HB3 PRO 24 -15.017 -9.599 -6.835 179 1HG PRO 24 HG3 PRO 24 -12.375 -8.292 -6.972 180 2HG PRO 24 HG2 PRO 24 -13.633 -8.372 -8.207 181 1HD PRO 24 HD3 PRO 24 -13.003 -6.218 -6.387 182 2HD PRO 24 HD2 PRO 24 -14.167 -6.231 -7.726 183 HA PRO 25 HA PRO 25 -13.055 -7.484 -1.514 184 1HB PRO 25 HB3 PRO 25 -13.806 -9.949 -0.195 185 2HB PRO 25 HB2 PRO 25 -14.123 -8.284 0.255 186 1HG PRO 25 HG3 PRO 25 -16.074 -9.971 -0.614 187 2HG PRO 25 HG2 PRO 25 -16.128 -8.224 -0.896 188 1HD PRO 25 HD3 PRO 25 -15.326 -10.422 -2.789 189 2HD PRO 25 HD2 PRO 25 -16.270 -8.944 -3.113 190 H LYS 26 HN LYS 26 -11.444 -7.856 -2.948 191 HA LYS 26 HA LYS 26 -9.966 -10.350 -2.973 192 1HB LYS 26 HB2 LYS 26 -10.401 -8.805 -4.942 193 2HB LYS 26 HB3 LYS 26 -9.286 -7.679 -4.187 194 1HG LYS 26 HG3 LYS 26 -7.488 -9.251 -4.424 195 2HG LYS 26 HG2 LYS 26 -8.587 -10.483 -5.057 196 1HD LYS 26 HD2 LYS 26 -9.157 -8.874 -6.889 197 2HD LYS 26 HD3 LYS 26 -7.853 -7.834 -6.325 198 1HE LYS 26 HE2 LYS 26 -6.282 -9.721 -6.687 199 2HE LYS 26 HE3 LYS 26 -7.610 -10.627 -7.414 200 1HZ LYS 26 HZ1 LYS 26 -7.627 -8.204 -8.683 201 2HZ LYS 26 HZ2 LYS 26 -7.044 -9.676 -9.300 202 3HZ LYS 26 HZ3 LYS 26 -5.978 -8.599 -8.540 203 H LEU 27 HN LEU 27 -8.682 -10.798 -1.344 204 HA LEU 27 HA LEU 27 -7.656 -9.006 0.572 205 1HB LEU 27 HB3 LEU 27 -7.817 -11.708 0.324 206 2HB LEU 27 HB2 LEU 27 -6.118 -11.454 -0.018 207 HG LEU 27 HG LEU 27 -7.577 -10.666 2.499 208 1HD1 LEU 27 HD11 LEU 27 -5.428 -12.738 2.105 209 2HD1 LEU 27 HD12 LEU 27 -6.302 -12.357 3.594 210 3HD1 LEU 27 HD13 LEU 27 -7.158 -13.076 2.232 211 1HD2 LEU 27 HD21 LEU 27 -5.499 -9.281 1.575 212 2HD2 LEU 27 HD22 LEU 27 -5.809 -9.580 3.285 213 3HD2 LEU 27 HD23 LEU 27 -4.645 -10.581 2.415 214 H ARG 28 HN ARG 28 -5.723 -7.849 0.613 215 HA ARG 28 HA ARG 28 -3.746 -8.354 -1.450 216 1HB ARG 28 HB3 ARG 28 -5.535 -6.065 -1.469 217 2HB ARG 28 HB2 ARG 28 -3.847 -5.592 -1.387 218 1HG ARG 28 HG3 ARG 28 -4.147 -5.669 -3.665 219 2HG ARG 28 HG2 ARG 28 -3.586 -7.315 -3.356 220 1HD ARG 28 HD3 ARG 28 -5.553 -7.226 -4.863 221 2HD ARG 28 HD2 ARG 28 -5.839 -8.156 -3.397 222 HE ARG 28 HE ARG 28 -7.536 -6.761 -2.908 223 1HH1 ARG 28 HH11 ARG 28 -6.061 -5.095 -5.741 224 2HH1 ARG 28 HH12 ARG 28 -5.807 -3.715 -4.714 225 1HH2 ARG 28 HH21 ARG 28 -8.973 -4.982 -3.309 226 2HH2 ARG 28 HH22 ARG 28 -8.110 -3.485 -3.434 227 H TYR 29 HN TYR 29 -1.733 -8.111 -0.747 228 HA TYR 29 HA TYR 29 -1.301 -7.086 1.975 229 1HB TYR 29 HB2 TYR 29 0.393 -8.707 0.058 230 2HB TYR 29 HB3 TYR 29 1.053 -8.020 1.541 231 HD1 TYR 29 HD1 TYR 29 1.411 -10.784 1.417 232 HD2 TYR 29 HD2 TYR 29 -2.171 -8.721 2.425 233 HE1 TYR 29 HE1 TYR 29 0.653 -12.739 2.682 234 HE2 TYR 29 HE2 TYR 29 -2.930 -10.698 3.702 235 HH TYR 29 HH TYR 29 -1.898 -13.612 3.393 236 H VAL 30 HN VAL 30 -1.426 -4.842 1.609 237 HA VAL 30 HA VAL 30 -0.042 -3.661 -0.621 238 HB VAL 30 HB VAL 30 -1.427 -2.312 1.707 239 1HG1 VAL 30 HG21 VAL 30 -1.650 -0.599 -0.398 240 2HG1 VAL 30 HG22 VAL 30 -0.341 -0.520 0.776 241 3HG1 VAL 30 HG23 VAL 30 -0.099 -1.343 -0.768 242 1HG2 VAL 30 HG11 VAL 30 -2.495 -3.839 -0.438 243 2HG2 VAL 30 HG12 VAL 30 -3.354 -2.943 0.816 244 3HG2 VAL 30 HG13 VAL 30 -2.901 -2.146 -0.694 245 H PHE 31 HN PHE 31 1.888 -2.691 -0.634 246 HA PHE 31 HA PHE 31 3.255 -2.257 1.923 247 1HB PHE 31 HB3 PHE 31 4.437 -3.495 -0.574 248 2HB PHE 31 HB2 PHE 31 5.347 -3.075 0.866 249 HD1 PHE 31 HD1 PHE 31 4.433 -4.246 3.097 250 HD2 PHE 31 HD2 PHE 31 3.802 -5.626 -0.878 251 HE1 PHE 31 HE1 PHE 31 4.072 -6.555 3.922 252 HE2 PHE 31 HE2 PHE 31 3.457 -7.909 -0.048 253 HZ PHE 31 HZ PHE 31 3.582 -8.367 2.346 254 H LEU 32 HN LEU 32 3.423 -0.013 2.011 255 HA LEU 32 HA LEU 32 4.709 1.196 -0.361 256 1HB LEU 32 HB2 LEU 32 3.665 3.393 0.593 257 2HB LEU 32 HB3 LEU 32 2.843 2.373 -0.557 258 HG LEU 32 HG LEU 32 2.184 1.629 2.192 259 1HD1 LEU 32 HD11 LEU 32 1.043 4.252 1.401 260 2HD1 LEU 32 HD12 LEU 32 1.315 3.577 3.015 261 3HD1 LEU 32 HD13 LEU 32 2.669 4.243 2.097 262 1HD2 LEU 32 HD21 LEU 32 0.820 2.305 -0.392 263 2HD2 LEU 32 HD22 LEU 32 0.694 0.847 0.594 264 3HD2 LEU 32 HD23 LEU 32 -0.123 2.336 1.098 265 H PHE 33 HN PHE 33 6.638 1.768 -0.004 266 HA PHE 33 HA PHE 33 7.483 2.701 2.654 267 1HB PHE 33 HB2 PHE 33 8.750 0.950 0.657 268 2HB PHE 33 HB3 PHE 33 9.810 2.181 1.320 269 HD1 PHE 33 HD1 PHE 33 10.995 -0.068 1.920 270 HD2 PHE 33 HD2 PHE 33 7.460 1.324 3.791 271 HE1 PHE 33 HE1 PHE 33 11.492 -1.453 3.879 272 HE2 PHE 33 HE2 PHE 33 7.904 -0.113 5.740 273 HZ PHE 33 HZ PHE 33 9.957 -1.508 5.794 274 H ARG 34 HN ARG 34 10.046 3.415 0.894 275 HA ARG 34 HA ARG 34 9.077 6.119 0.319 276 1HB ARG 34 HB3 ARG 34 11.831 5.019 0.818 277 2HB ARG 34 HB2 ARG 34 11.580 6.607 0.108 278 1HG ARG 34 HG2 ARG 34 10.365 7.342 2.056 279 2HG ARG 34 HG3 ARG 34 10.488 5.732 2.769 280 1HD ARG 34 HD2 ARG 34 12.130 7.456 3.603 281 2HD ARG 34 HD3 ARG 34 12.798 5.917 3.070 282 HE ARG 34 HE ARG 34 12.892 7.678 0.900 283 1HH1 ARG 34 HH12 ARG 34 14.452 8.729 4.041 284 2HH1 ARG 34 HH11 ARG 34 15.304 7.219 3.837 285 1HH2 ARG 34 HH21 ARG 34 14.838 9.300 0.722 286 2HH2 ARG 34 HH22 ARG 34 16.081 8.113 1.029 287 H ASN 35 HN ASN 35 9.785 3.278 -1.283 288 HA ASN 35 HA ASN 35 10.737 4.593 -3.695 289 1HB ASN 35 HB2 ASN 35 10.304 1.653 -3.097 290 2HB ASN 35 HB3 ASN 35 10.897 2.283 -4.629 291 1HD2 ASN 35 HD21 ASN 35 12.994 2.580 -4.875 292 2HD2 ASN 35 HD22 ASN 35 14.181 2.618 -3.608 293 H LYS 36 HN LYS 36 8.059 2.372 -2.870 294 HA LYS 36 HA LYS 36 6.157 3.845 -4.360 295 1HB LYS 36 HB3 LYS 36 5.801 2.301 -6.231 296 2HB LYS 36 HB2 LYS 36 7.429 2.958 -6.248 297 1HG LYS 36 HG3 LYS 36 8.312 0.910 -5.348 298 2HG LYS 36 HG2 LYS 36 6.687 0.227 -5.269 299 1HD LYS 36 HD2 LYS 36 6.504 0.378 -7.719 300 2HD LYS 36 HD3 LYS 36 8.103 1.121 -7.797 301 1HE LYS 36 HE2 LYS 36 9.095 -0.882 -6.876 302 2HE LYS 36 HE3 LYS 36 7.509 -1.636 -6.737 303 1HZ LYS 36 HZ1 LYS 36 7.395 -1.254 -9.270 304 2HZ LYS 36 HZ2 LYS 36 8.404 -2.492 -8.710 305 3HZ LYS 36 HZ3 LYS 36 9.065 -1.007 -9.191 306 H ILE 37 HN ILE 37 4.198 2.218 -4.849 307 HA ILE 37 HA ILE 37 3.762 0.786 -2.317 308 HB ILE 37 HB ILE 37 1.673 1.650 -4.319 309 1HG1 ILE 37 HG12 ILE 37 2.482 3.031 -1.751 310 2HG1 ILE 37 HG13 ILE 37 2.809 3.626 -3.374 311 1HG2 ILE 37 HG21 ILE 37 0.446 0.204 -3.121 312 2HG2 ILE 37 HG22 ILE 37 1.660 0.089 -1.845 313 3HG2 ILE 37 HG23 ILE 37 0.490 1.420 -1.846 314 1HD1 ILE 37 HD11 ILE 37 0.398 3.827 -1.768 315 2HD1 ILE 37 HD12 ILE 37 0.904 4.775 -3.160 316 3HD1 ILE 37 HD13 ILE 37 0.078 3.234 -3.393 317 H MET 38 HN MET 38 4.103 -1.342 -2.487 318 HA MET 38 HA MET 38 3.305 -2.671 -5.012 319 1HB MET 38 HB3 MET 38 5.287 -3.665 -2.949 320 2HB MET 38 HB2 MET 38 4.873 -4.475 -4.449 321 1HG MET 38 HG2 MET 38 5.814 -2.566 -5.687 322 2HG MET 38 HG3 MET 38 6.268 -1.832 -4.156 323 1HE MET 38 HE1 MET 38 6.382 -4.727 -6.359 324 2HE MET 38 HE2 MET 38 8.057 -5.270 -6.390 325 3HE MET 38 HE3 MET 38 6.962 -5.853 -5.134 326 H PHE 39 HN PHE 39 1.421 -3.693 -4.813 327 HA PHE 39 HA PHE 39 0.909 -5.043 -2.264 328 1HB PHE 39 HB2 PHE 39 -1.510 -4.676 -2.547 329 2HB PHE 39 HB3 PHE 39 -0.600 -3.194 -2.315 330 HD1 PHE 39 HD1 PHE 39 0.093 -2.075 -4.710 331 HD2 PHE 39 HD2 PHE 39 -3.200 -4.626 -3.996 332 HE1 PHE 39 HE1 PHE 39 -1.040 -1.179 -6.691 333 HE2 PHE 39 HE2 PHE 39 -4.359 -3.717 -5.946 334 HZ PHE 39 HZ PHE 39 -3.277 -1.978 -7.302 335 H THR 40 HN THR 40 1.246 -7.081 -2.575 336 HA THR 40 HA THR 40 1.157 -8.343 -5.078 337 HB THR 40 HB THR 40 1.438 -10.443 -3.744 338 HG1 THR 40 HG1 THR 40 0.580 -10.265 -1.810 339 1HG2 THR 40 HG21 THR 40 3.609 -9.984 -2.975 340 2HG2 THR 40 HG22 THR 40 3.230 -8.288 -2.678 341 3HG2 THR 40 HG23 THR 40 3.350 -8.883 -4.334 342 H GLU 41 HN GLU 41 -0.262 -9.730 -6.031 343 HA GLU 41 HA GLU 41 -2.996 -9.264 -5.426 344 1HB GLU 41 HB2 GLU 41 -1.583 -10.035 -7.622 345 2HB GLU 41 HB3 GLU 41 -2.418 -11.519 -7.180 346 1HG GLU 41 HG2 GLU 41 -3.838 -10.431 -8.670 347 2HG GLU 41 HG3 GLU 41 -4.516 -10.074 -7.088 348 H GLN 42 HN GLN 42 -3.795 -10.149 -3.583 349 HA GLN 42 HA GLN 42 -3.277 -12.998 -3.070 350 1HB GLN 42 HB2 GLN 42 -4.227 -10.744 -1.338 351 2HB GLN 42 HB3 GLN 42 -4.547 -12.408 -0.877 352 1HG GLN 42 HG3 GLN 42 -1.774 -11.436 -1.479 353 2HG GLN 42 HG2 GLN 42 -2.503 -11.270 0.119 354 1HE2 GLN 42 HE21 GLN 42 -0.437 -13.073 -1.499 355 2HE2 GLN 42 HE22 GLN 42 -0.659 -14.576 -0.662 356 H ASP 43 HN ASP 43 -4.677 -13.375 -4.968 357 HA ASP 43 HA ASP 43 -7.530 -12.890 -4.608 358 1HB ASP 43 HB3 ASP 43 -6.108 -12.685 -6.764 359 2HB ASP 43 HB2 ASP 43 -6.254 -14.435 -6.837 360 H ALA 44 HN ALA 44 -6.849 -14.362 -2.598 361 HA ALA 44 HA ALA 44 -8.433 -16.538 -2.389 362 1HB ALA 44 HB1 ALA 44 -7.420 -18.450 -3.030 363 2HB ALA 44 HB2 ALA 44 -6.653 -17.383 -4.205 364 3HB ALA 44 HB3 ALA 44 -5.801 -17.827 -2.720 365 H SER 45 HN SER 45 -7.166 -18.313 -0.790 366 HA SER 45 HA SER 45 -5.895 -16.619 1.258 367 1HB SER 45 HB2 SER 45 -8.202 -17.470 1.827 368 2HB SER 45 HB3 SER 45 -7.540 -19.103 1.775 369 HG SER 45 HG SER 45 -5.977 -17.554 3.296 370 H THR 46 HN THR 46 -3.857 -17.067 1.372 371 HA THR 46 HA THR 46 -1.834 -18.049 1.321 372 HB THR 46 HB THR 46 -1.567 -20.368 2.176 373 HG1 THR 46 HG1 THR 46 -4.203 -20.532 1.546 374 1HG2 THR 46 HG21 THR 46 -2.522 -20.013 4.410 375 2HG2 THR 46 HG22 THR 46 -3.399 -18.618 3.792 376 3HG2 THR 46 HG23 THR 46 -1.638 -18.618 3.804 377 H SER 47 HN SER 47 -0.975 -18.047 -0.578 378 HA SER 47 HA SER 47 -0.240 -18.702 -2.620 379 1HB SER 47 HB3 SER 47 0.149 -20.910 -1.548 380 2HB SER 47 HB2 SER 47 -1.508 -21.375 -1.936 381 HG SER 47 HG SER 47 -1.003 -21.502 -4.046 382 HA PRO 48 HA PRO 48 -4.494 -17.900 -4.259 383 1HB PRO 48 HB2 PRO 48 -3.950 -15.504 -5.394 384 2HB PRO 48 HB3 PRO 48 -4.317 -15.654 -3.669 385 1HG PRO 48 HG2 PRO 48 -1.660 -15.399 -5.018 386 2HG PRO 48 HG3 PRO 48 -2.274 -14.589 -3.565 387 1HD PRO 48 HD2 PRO 48 -0.630 -16.783 -3.469 388 2HD PRO 48 HD3 PRO 48 -1.825 -16.411 -2.207 389 HA PRO 49 HA PRO 49 -3.230 -19.530 -8.225 390 1HB PRO 49 HB3 PRO 49 -5.654 -19.517 -9.445 391 2HB PRO 49 HB2 PRO 49 -5.232 -20.682 -8.183 392 1HG PRO 49 HG3 PRO 49 -6.782 -18.134 -7.955 393 2HG PRO 49 HG2 PRO 49 -7.145 -19.731 -7.282 394 1HD PRO 49 HD2 PRO 49 -6.037 -17.769 -5.804 395 2HD PRO 49 HD3 PRO 49 -5.647 -19.483 -5.547 396 H SER 50 HN SER 50 -4.772 -16.488 -7.777 397 HA SER 50 HA SER 50 -4.149 -15.681 -10.538 398 1HB SER 50 HB2 SER 50 -5.834 -14.266 -8.455 399 2HB SER 50 HB3 SER 50 -5.658 -13.801 -10.150 400 HG SER 50 HG SER 50 -6.426 -16.127 -10.482 401 H TYR 51 HN TYR 51 -2.036 -16.011 -8.621 402 HA TYR 51 HA TYR 51 -1.353 -13.293 -7.822 403 1HB TYR 51 HB2 TYR 51 -0.951 -15.141 -6.235 404 2HB TYR 51 HB3 TYR 51 0.158 -15.874 -7.382 405 HD1 TYR 51 HD1 TYR 51 -0.096 -12.249 -6.538 406 HD2 TYR 51 HD2 TYR 51 2.157 -15.841 -6.114 407 HE1 TYR 51 HE1 TYR 51 1.746 -10.974 -5.500 408 HE2 TYR 51 HE2 TYR 51 4.028 -14.575 -5.194 409 HH TYR 51 HH TYR 51 4.620 -12.603 -4.228 410 H THR 52 HN THR 52 -1.522 -14.211 -10.631 411 HA THR 52 HA THR 52 1.232 -14.136 -11.561 412 HB THR 52 HB THR 52 -1.232 -13.848 -13.301 413 HG1 THR 52 HG1 THR 52 -0.434 -16.007 -11.760 414 1HG2 THR 52 HG21 THR 52 0.207 -15.310 -14.814 415 2HG2 THR 52 HG22 THR 52 1.548 -14.902 -13.743 416 3HG2 THR 52 HG23 THR 52 0.702 -13.628 -14.624 417 H HIS 53 HN HIS 53 -1.094 -12.026 -10.509 418 HA HIS 53 HA HIS 53 -0.184 -9.730 -12.077 419 1HB HIS 53 HB2 HIS 53 -2.523 -10.252 -10.277 420 2HB HIS 53 HB3 HIS 53 -1.983 -8.595 -10.493 421 HD1 HIS 53 HD1 HIS 53 -2.804 -11.504 -12.816 422 HD2 HIS 53 HD2 HIS 53 -3.392 -7.409 -12.442 423 HE1 HIS 53 HE1 HIS 53 -4.180 -10.828 -14.820 424 HE2 HIS 53 HE2 HIS 53 -4.636 -8.365 -14.503 425 H TYR 54 HN TYR 54 1.457 -8.540 -11.327 426 HA TYR 54 HA TYR 54 1.966 -8.515 -8.430 427 1HB TYR 54 HB3 TYR 54 3.790 -8.205 -10.789 428 2HB TYR 54 HB2 TYR 54 4.221 -7.517 -9.227 429 HD1 TYR 54 HD1 TYR 54 3.012 -10.774 -10.661 430 HD2 TYR 54 HD2 TYR 54 5.472 -8.787 -7.822 431 HE1 TYR 54 HE1 TYR 54 3.861 -12.944 -9.890 432 HE2 TYR 54 HE2 TYR 54 6.377 -10.948 -7.075 433 HH TYR 54 HH TYR 54 6.433 -13.140 -7.444 434 H SER 55 HN SER 55 0.129 -6.999 -8.414 435 HA SER 55 HA SER 55 0.122 -4.529 -9.666 436 1HB SER 55 HB3 SER 55 -1.050 -5.403 -7.027 437 2HB SER 55 HB2 SER 55 -1.379 -3.836 -7.762 438 HG SER 55 HG SER 55 -2.279 -6.363 -8.442 439 H SER 56 HN SER 56 1.506 -2.952 -9.604 440 HA SER 56 HA SER 56 2.668 -2.128 -7.046 441 1HB SER 56 HB3 SER 56 4.296 -2.579 -9.561 442 2HB SER 56 HB2 SER 56 4.908 -1.900 -8.049 443 HG SER 56 HG SER 56 3.634 -4.387 -7.927 444 H ILE 57 HN ILE 57 2.112 -0.127 -6.770 445 HA ILE 57 HA ILE 57 1.783 1.695 -9.074 446 HB ILE 57 HB ILE 57 0.495 1.500 -6.366 447 1HG1 ILE 57 HG13 ILE 57 -0.504 1.748 -9.188 448 2HG1 ILE 57 HG12 ILE 57 -0.673 0.396 -8.076 449 1HG2 ILE 57 HG21 ILE 57 0.324 3.990 -8.050 450 2HG2 ILE 57 HG22 ILE 57 -0.447 3.687 -6.491 451 3HG2 ILE 57 HG23 ILE 57 1.305 3.823 -6.592 452 1HD1 ILE 57 HD11 ILE 57 -2.303 2.822 -8.341 453 2HD1 ILE 57 HD12 ILE 57 -2.730 1.207 -7.760 454 3HD1 ILE 57 HD13 ILE 57 -1.921 2.336 -6.687 455 H ARG 58 HN ARG 58 2.638 3.987 -8.711 456 HA ARG 58 HA ARG 58 4.967 3.920 -6.953 457 1HB ARG 58 HB2 ARG 58 5.982 5.610 -8.284 458 2HB ARG 58 HB3 ARG 58 5.363 4.385 -9.386 459 1HG ARG 58 HG2 ARG 58 3.903 6.932 -8.768 460 2HG ARG 58 HG3 ARG 58 5.070 6.787 -10.077 461 1HD ARG 58 HD3 ARG 58 3.688 5.005 -11.077 462 2HD ARG 58 HD2 ARG 58 2.514 5.207 -9.772 463 HE ARG 58 HE ARG 58 2.900 7.696 -10.936 464 1HH1 ARG 58 HH11 ARG 58 1.946 4.584 -12.200 465 2HH1 ARG 58 HH12 ARG 58 0.958 5.306 -13.445 466 1HH2 ARG 58 HH22 ARG 58 0.435 8.225 -12.122 467 2HH2 ARG 58 HH21 ARG 58 1.359 7.907 -13.569 468 H LEU 59 HN LEU 59 5.438 6.084 -5.885 469 HA LEU 59 HA LEU 59 3.088 7.032 -4.554 470 1HB LEU 59 HB2 LEU 59 5.950 7.135 -4.276 471 2HB LEU 59 HB3 LEU 59 5.197 8.683 -3.933 472 HG LEU 59 HG LEU 59 5.461 7.374 -1.952 473 1HD1 LEU 59 HD21 LEU 59 3.580 8.214 -1.099 474 2HD1 LEU 59 HD22 LEU 59 3.165 8.655 -2.753 475 3HD1 LEU 59 HD23 LEU 59 2.580 7.133 -2.075 476 1HD2 LEU 59 HD11 LEU 59 5.088 5.183 -3.394 477 2HD2 LEU 59 HD12 LEU 59 4.813 5.227 -1.649 478 3HD2 LEU 59 HD13 LEU 59 3.459 5.397 -2.759 479 H ASP 60 HN ASP 60 5.680 8.562 -6.409 480 HA ASP 60 HA ASP 60 5.330 10.973 -6.874 481 1HB ASP 60 HB3 ASP 60 6.698 9.584 -8.301 482 2HB ASP 60 HB2 ASP 60 5.288 9.040 -9.203 483 H LYS 61 HN LYS 61 3.478 9.476 -9.412 484 HA LYS 61 HA LYS 61 1.476 11.554 -8.998 485 1HB LYS 61 HB3 LYS 61 2.541 10.199 -11.374 486 2HB LYS 61 HB2 LYS 61 0.840 10.636 -11.438 487 1HG LYS 61 HG2 LYS 61 2.356 12.376 -12.386 488 2HG LYS 61 HG3 LYS 61 1.341 12.938 -11.056 489 1HD LYS 61 HD2 LYS 61 3.127 12.907 -9.523 490 2HD LYS 61 HD3 LYS 61 4.159 12.000 -10.629 491 1HE LYS 61 HE3 LYS 61 4.065 13.957 -12.176 492 2HE LYS 61 HE2 LYS 61 3.259 14.836 -10.875 493 1HZ LYS 61 HZ1 LYS 61 5.958 14.623 -11.246 494 2HZ LYS 61 HZ2 LYS 61 5.659 13.552 -9.966 495 3HZ LYS 61 HZ3 LYS 61 5.201 15.190 -9.842 496 H TYR 62 HN TYR 62 0.411 10.280 -7.293 497 HA TYR 62 HA TYR 62 -1.825 8.890 -8.528 498 1HB TYR 62 HB3 TYR 62 -1.816 6.947 -7.271 499 2HB TYR 62 HB2 TYR 62 -0.087 7.201 -7.456 500 HD1 TYR 62 HD1 TYR 62 1.031 8.572 -5.534 501 HD2 TYR 62 HD2 TYR 62 -2.657 6.498 -5.134 502 HE1 TYR 62 HE1 TYR 62 1.334 8.502 -3.098 503 HE2 TYR 62 HE2 TYR 62 -2.371 6.427 -2.686 504 HH TYR 62 HH TYR 62 -0.746 6.648 -1.019 505 H ASN 63 HN ASN 63 -3.775 9.327 -7.490 506 HA ASN 63 HA ASN 63 -3.546 11.418 -5.453 507 1HB ASN 63 HB3 ASN 63 -4.872 12.025 -7.371 508 2HB ASN 63 HB2 ASN 63 -5.900 10.615 -7.151 509 1HD2 ASN 63 HD21 ASN 63 -7.806 11.631 -6.773 510 2HD2 ASN 63 HD22 ASN 63 -8.088 12.826 -5.560 511 H ILE 64 HN ILE 64 -3.561 10.711 -3.460 512 HA ILE 64 HA ILE 64 -5.125 8.324 -2.793 513 HB ILE 64 HB ILE 64 -2.764 8.352 -2.077 514 1HG1 ILE 64 HG12 ILE 64 -3.209 7.790 0.358 515 2HG1 ILE 64 HG13 ILE 64 -4.886 8.251 0.062 516 1HG2 ILE 64 HG21 ILE 64 -3.587 10.837 -0.657 517 2HG2 ILE 64 HG22 ILE 64 -2.400 9.797 0.121 518 3HG2 ILE 64 HG23 ILE 64 -2.082 10.461 -1.484 519 1HD1 ILE 64 HD11 ILE 64 -4.921 6.567 -1.789 520 2HD1 ILE 64 HD12 ILE 64 -3.353 6.005 -1.224 521 3HD1 ILE 64 HD13 ILE 64 -4.770 5.886 -0.170 522 H ARG 65 HN ARG 65 -6.920 8.392 -1.570 523 HA ARG 65 HA ARG 65 -7.538 10.913 -0.196 524 1HB ARG 65 HB3 ARG 65 -9.428 9.383 -1.990 525 2HB ARG 65 HB2 ARG 65 -9.862 10.776 -1.014 526 1HG ARG 65 HG2 ARG 65 -7.834 10.813 -3.242 527 2HG ARG 65 HG3 ARG 65 -9.522 11.312 -3.402 528 1HD ARG 65 HD3 ARG 65 -7.552 12.518 -1.463 529 2HD ARG 65 HD2 ARG 65 -7.975 13.220 -3.024 530 HE ARG 65 HE ARG 65 -9.419 13.428 -0.598 531 1HH1 ARG 65 HH11 ARG 65 -9.891 14.387 -3.999 532 2HH1 ARG 65 HH12 ARG 65 -11.194 13.225 -4.090 533 1HH2 ARG 65 HH21 ARG 65 -11.364 14.968 -0.915 534 2HH2 ARG 65 HH22 ARG 65 -12.492 13.844 -1.625 535 H GLN 66 HN GLN 66 -10.236 9.963 0.432 536 HA GLN 66 HA GLN 66 -10.041 7.457 1.754 537 1HB GLN 66 HB3 GLN 66 -10.365 8.355 4.071 538 2HB GLN 66 HB2 GLN 66 -8.758 8.617 3.402 539 1HG GLN 66 HG2 GLN 66 -9.409 10.931 2.836 540 2HG GLN 66 HG3 GLN 66 -10.986 10.646 3.582 541 1HE2 GLN 66 HE21 GLN 66 -11.163 11.343 5.544 542 2HE2 GLN 66 HE22 GLN 66 -9.935 11.331 6.759 543 H HIS 67 HN HIS 67 -12.031 6.816 2.724 544 HA HIS 67 HA HIS 67 -14.336 8.557 2.200 545 1HB HIS 67 HB3 HIS 67 -13.796 5.897 0.952 546 2HB HIS 67 HB2 HIS 67 -15.458 6.367 1.296 547 HD1 HIS 67 HD1 HIS 67 -15.680 9.174 0.396 548 HD2 HIS 67 HD2 HIS 67 -13.352 6.416 -1.657 549 HE1 HIS 67 HE1 HIS 67 -15.513 10.035 -1.963 550 HE2 HIS 67 HE2 HIS 67 -13.874 8.515 -3.087 551 H THR 68 HN THR 68 -16.414 6.966 2.736 552 HA THR 68 HA THR 68 -17.640 5.884 4.300 553 HB THR 68 HB THR 68 -14.974 5.156 5.517 554 HG1 THR 68 HG1 THR 68 -16.479 4.157 3.443 555 1HG2 THR 68 HG21 THR 68 -16.069 4.327 7.236 556 2HG2 THR 68 HG22 THR 68 -16.841 3.193 6.125 557 3HG2 THR 68 HG23 THR 68 -17.631 4.724 6.519 558 H THR 69 HN THR 69 -18.710 6.563 6.140 559 HA THR 69 HA THR 69 -18.234 9.186 7.000 560 HB THR 69 HB THR 69 -19.966 7.101 8.334 561 HG1 THR 69 HG1 THR 69 -20.380 8.761 6.055 562 1HG2 THR 69 HG21 THR 69 -20.220 8.838 9.754 563 2HG2 THR 69 HG22 THR 69 -21.408 9.304 8.533 564 3HG2 THR 69 HG23 THR 69 -19.803 10.038 8.536 565 H ASP 70 HN ASP 70 -18.026 6.177 8.926 566 HA ASP 70 HA ASP 70 -16.689 7.647 11.036 567 1HB ASP 70 HB3 ASP 70 -18.412 5.907 11.548 568 2HB ASP 70 HB2 ASP 70 -17.324 4.694 10.880 569 H GLU 71 HN GLU 71 -16.031 4.670 9.227 570 HA GLU 71 HA GLU 71 -13.263 4.739 9.897 571 1HB GLU 71 HB2 GLU 71 -14.806 3.121 7.888 572 2HB GLU 71 HB3 GLU 71 -13.070 2.979 8.107 573 1HG GLU 71 HG2 GLU 71 -13.488 2.400 10.500 574 2HG GLU 71 HG3 GLU 71 -15.212 2.364 10.122 575 H ASP 72 HN ASP 72 -11.523 5.058 8.489 576 HA ASP 72 HA ASP 72 -12.161 6.872 6.275 577 1HB ASP 72 HB2 ASP 72 -9.625 6.609 7.916 578 2HB ASP 72 HB3 ASP 72 -9.838 7.722 6.565 579 H THR 73 HN THR 73 -12.511 5.196 4.769 580 HA THR 73 HA THR 73 -10.677 3.094 4.297 581 HB THR 73 HB THR 73 -12.807 4.315 2.530 582 HG1 THR 73 HG1 THR 73 -14.106 3.316 3.825 583 1HG2 THR 73 HG21 THR 73 -12.800 2.375 1.201 584 2HG2 THR 73 HG22 THR 73 -11.716 1.528 2.306 585 3HG2 THR 73 HG23 THR 73 -11.114 2.868 1.329 586 H ILE 74 HN ILE 74 -8.760 3.208 3.317 587 HA ILE 74 HA ILE 74 -7.902 5.664 2.101 588 HB ILE 74 HB ILE 74 -6.495 3.029 2.500 589 1HG1 ILE 74 HG13 ILE 74 -6.992 4.249 4.572 590 2HG1 ILE 74 HG12 ILE 74 -5.260 4.282 4.264 591 1HG2 ILE 74 HG21 ILE 74 -4.573 3.856 1.648 592 2HG2 ILE 74 HG22 ILE 74 -5.738 4.591 0.551 593 3HG2 ILE 74 HG23 ILE 74 -5.038 5.540 1.871 594 1HD1 ILE 74 HD11 ILE 74 -7.267 6.487 4.096 595 2HD1 ILE 74 HD12 ILE 74 -5.706 6.445 4.919 596 3HD1 ILE 74 HD13 ILE 74 -5.774 6.577 3.162 597 H VAL 75 HN VAL 75 -8.665 6.086 0.122 598 HA VAL 75 HA VAL 75 -8.836 3.921 -1.841 599 HB VAL 75 HB VAL 75 -10.434 5.252 -3.010 600 1HG1 VAL 75 HG11 VAL 75 -11.617 4.145 -1.386 601 2HG1 VAL 75 HG12 VAL 75 -10.795 4.987 -0.072 602 3HG1 VAL 75 HG13 VAL 75 -12.034 5.816 -1.003 603 1HG2 VAL 75 HG21 VAL 75 -11.106 7.527 -1.979 604 2HG2 VAL 75 HG22 VAL 75 -9.483 7.500 -1.293 605 3HG2 VAL 75 HG23 VAL 75 -9.711 7.422 -3.045 606 H LEU 76 HN LEU 76 -7.745 4.013 -3.751 607 HA LEU 76 HA LEU 76 -5.839 6.194 -4.089 608 1HB LEU 76 HB2 LEU 76 -5.700 3.321 -5.004 609 2HB LEU 76 HB3 LEU 76 -4.592 4.563 -5.557 610 HG LEU 76 HG LEU 76 -4.139 4.926 -3.004 611 1HD1 LEU 76 HD11 LEU 76 -4.261 2.415 -2.044 612 2HD1 LEU 76 HD12 LEU 76 -5.511 3.631 -1.771 613 3HD1 LEU 76 HD13 LEU 76 -5.714 2.440 -3.045 614 1HD2 LEU 76 HD21 LEU 76 -2.622 3.935 -4.838 615 2HD2 LEU 76 HD22 LEU 76 -2.238 3.617 -3.146 616 3HD2 LEU 76 HD23 LEU 76 -3.051 2.387 -4.116 617 H GLN 77 HN GLN 77 -6.470 7.618 -5.513 618 HA GLN 77 HA GLN 77 -8.179 6.776 -7.739 619 1HB GLN 77 HB3 GLN 77 -8.968 8.535 -6.197 620 2HB GLN 77 HB2 GLN 77 -7.620 9.550 -6.688 621 1HG GLN 77 HG2 GLN 77 -8.488 9.636 -8.943 622 2HG GLN 77 HG3 GLN 77 -9.791 8.531 -8.501 623 1HE2 GLN 77 HE21 GLN 77 -9.035 11.712 -8.957 624 2HE2 GLN 77 HE22 GLN 77 -10.173 12.474 -7.886 625 HA PRO 78 HA PRO 78 -4.639 7.171 -10.420 626 1HB PRO 78 HB2 PRO 78 -6.046 6.825 -12.737 627 2HB PRO 78 HB3 PRO 78 -5.478 5.512 -11.706 628 1HG PRO 78 HG2 PRO 78 -8.185 6.733 -11.952 629 2HG PRO 78 HG3 PRO 78 -7.748 5.034 -11.681 630 1HD PRO 78 HD2 PRO 78 -8.653 6.674 -9.707 631 2HD PRO 78 HD3 PRO 78 -7.529 5.323 -9.428 632 H GLN 79 HN GLN 79 -4.081 9.339 -10.212 633 HA GLN 79 HA GLN 79 -5.681 11.403 -11.454 634 1HB GLN 79 HB3 GLN 79 -4.045 12.977 -10.723 635 2HB GLN 79 HB2 GLN 79 -4.266 11.812 -9.424 636 1HG GLN 79 HG2 GLN 79 -2.234 10.706 -10.006 637 2HG GLN 79 HG3 GLN 79 -2.019 11.757 -11.401 638 1HE2 GLN 79 HE21 GLN 79 -0.767 13.462 -11.132 639 2HE2 GLN 79 HE22 GLN 79 -0.482 14.303 -9.649 640 H GLU 80 HN GLU 80 -3.690 9.070 -12.692 641 HA GLU 80 HA GLU 80 -3.218 10.671 -15.101 642 1HB GLU 80 HB3 GLU 80 -1.301 8.746 -13.764 643 2HB GLU 80 HB2 GLU 80 -1.150 9.238 -15.442 644 1HG GLU 80 HG2 GLU 80 -1.097 11.136 -13.126 645 2HG GLU 80 HG3 GLU 80 0.335 10.452 -13.897 646 HA PRO 81 HA PRO 81 -5.407 7.235 -16.888 647 1HB PRO 81 HB2 PRO 81 -4.585 7.468 -19.465 648 2HB PRO 81 HB3 PRO 81 -5.791 8.521 -18.723 649 1HG PRO 81 HG2 PRO 81 -2.898 9.015 -19.259 650 2HG PRO 81 HG3 PRO 81 -4.268 10.132 -19.396 651 1HD PRO 81 HD2 PRO 81 -2.539 10.147 -17.293 652 2HD PRO 81 HD3 PRO 81 -4.233 10.666 -17.180 653 H GLY 82 HN GLY 82 -4.482 5.460 -16.000 654 1HA GLY 82 HA1 GLY 82 -3.318 3.513 -17.370 655 2HA GLY 82 HA2 GLY 82 -1.907 4.487 -16.994 656 H LEU 83 HN LEU 83 -4.306 4.715 -14.674 657 HA LEU 83 HA LEU 83 -2.992 2.666 -13.029 658 1HB LEU 83 HB3 LEU 83 -4.006 5.385 -12.233 659 2HB LEU 83 HB2 LEU 83 -3.791 4.083 -11.082 660 HG LEU 83 HG LEU 83 -1.597 5.213 -12.784 661 1HD1 LEU 83 HD21 LEU 83 -2.078 5.658 -9.844 662 2HD1 LEU 83 HD22 LEU 83 -0.820 6.357 -10.865 663 3HD1 LEU 83 HD23 LEU 83 -2.511 6.813 -11.111 664 1HD2 LEU 83 HD11 LEU 83 -1.529 2.780 -11.890 665 2HD2 LEU 83 HD12 LEU 83 -0.142 3.847 -11.637 666 3HD2 LEU 83 HD13 LEU 83 -1.274 3.572 -10.333 667 HA PRO 84 HA PRO 84 -7.077 1.053 -12.752 668 1HB PRO 84 HB2 PRO 84 -6.689 -0.741 -10.736 669 2HB PRO 84 HB3 PRO 84 -6.095 -1.012 -12.377 670 1HG PRO 84 HG2 PRO 84 -4.652 -0.131 -9.927 671 2HG PRO 84 HG3 PRO 84 -4.088 -1.183 -11.238 672 1HD PRO 84 HD3 PRO 84 -3.452 1.509 -10.977 673 2HD PRO 84 HD2 PRO 84 -3.366 0.610 -12.501 674 H SER 85 HN SER 85 -8.857 0.910 -11.209 675 HA SER 85 HA SER 85 -8.550 2.942 -9.088 676 1HB SER 85 HB2 SER 85 -11.144 1.941 -10.270 677 2HB SER 85 HB3 SER 85 -10.877 3.395 -9.301 678 HG SER 85 HG SER 85 -9.570 3.040 -11.770 679 H PHE 86 HN PHE 86 -8.252 2.107 -7.164 680 HA PHE 86 HA PHE 86 -10.050 0.005 -6.267 681 1HB PHE 86 HB3 PHE 86 -8.470 -1.611 -5.674 682 2HB PHE 86 HB2 PHE 86 -7.823 -1.019 -7.199 683 HD1 PHE 86 HD1 PHE 86 -6.077 1.006 -6.895 684 HD2 PHE 86 HD2 PHE 86 -7.076 -1.877 -3.931 685 HE1 PHE 86 HE1 PHE 86 -3.949 1.425 -5.779 686 HE2 PHE 86 HE2 PHE 86 -4.929 -1.447 -2.793 687 HZ PHE 86 HZ PHE 86 -3.365 0.204 -3.699 688 H ARG 87 HN ARG 87 -10.104 -0.216 -3.976 689 HA ARG 87 HA ARG 87 -8.923 2.037 -2.515 690 1HB ARG 87 HB3 ARG 87 -11.706 0.908 -2.116 691 2HB ARG 87 HB2 ARG 87 -10.986 2.209 -1.195 692 1HG ARG 87 HG3 ARG 87 -12.463 3.240 -2.664 693 2HG ARG 87 HG2 ARG 87 -10.873 3.485 -3.378 694 1HD ARG 87 HD3 ARG 87 -12.533 2.914 -5.062 695 2HD ARG 87 HD2 ARG 87 -11.264 1.699 -4.974 696 HE ARG 87 HE ARG 87 -12.890 0.173 -4.581 697 1HH1 ARG 87 HH12 ARG 87 -14.806 3.222 -3.388 698 2HH1 ARG 87 HH11 ARG 87 -14.754 2.142 -2.019 699 1HH2 ARG 87 HH22 ARG 87 -15.518 -0.159 -2.948 700 2HH2 ARG 87 HH21 ARG 87 -15.868 0.170 -4.612 701 H ILE 88 HN ILE 88 -8.426 1.398 -0.199 702 HA ILE 88 HA ILE 88 -8.560 -1.531 0.119 703 HB ILE 88 HB ILE 88 -6.433 -1.298 1.489 704 1HG1 ILE 88 HG12 ILE 88 -6.334 1.314 -0.016 705 2HG1 ILE 88 HG13 ILE 88 -6.376 1.119 1.734 706 1HG2 ILE 88 HG21 ILE 88 -5.983 -0.716 -1.410 707 2HG2 ILE 88 HG22 ILE 88 -5.220 -1.914 -0.364 708 3HG2 ILE 88 HG23 ILE 88 -6.880 -2.154 -0.909 709 1HD1 ILE 88 HD11 ILE 88 -4.174 -0.309 0.491 710 2HD1 ILE 88 HD12 ILE 88 -4.118 1.424 0.205 711 3HD1 ILE 88 HD13 ILE 88 -4.172 0.799 1.857 712 H LYS 89 HN LYS 89 -9.826 -2.147 1.552 713 HA LYS 89 HA LYS 89 -10.344 -0.549 3.966 714 1HB LYS 89 HB2 LYS 89 -12.000 -2.119 2.116 715 2HB LYS 89 HB3 LYS 89 -12.292 -2.512 3.798 716 1HG LYS 89 HG3 LYS 89 -12.351 0.326 2.845 717 2HG LYS 89 HG2 LYS 89 -13.746 -0.748 2.687 718 1HD LYS 89 HD2 LYS 89 -12.324 -0.059 5.270 719 2HD LYS 89 HD3 LYS 89 -13.901 0.550 4.771 720 1HE LYS 89 HE3 LYS 89 -14.782 -1.755 4.805 721 2HE LYS 89 HE2 LYS 89 -13.193 -2.343 5.284 722 1HZ LYS 89 HZ1 LYS 89 -13.574 -0.618 7.200 723 2HZ LYS 89 HZ2 LYS 89 -14.177 -2.202 7.301 724 3HZ LYS 89 HZ3 LYS 89 -15.194 -0.916 6.848 725 HA PRO 90 HA PRO 90 -8.819 -4.104 6.259 726 1HB PRO 90 HB3 PRO 90 -9.516 -3.342 8.742 727 2HB PRO 90 HB2 PRO 90 -8.239 -2.493 7.853 728 1HG PRO 90 HG2 PRO 90 -11.043 -1.676 8.380 729 2HG PRO 90 HG3 PRO 90 -9.582 -0.687 8.253 730 1HD PRO 90 HD3 PRO 90 -11.505 -1.067 6.248 731 2HD PRO 90 HD2 PRO 90 -9.887 -0.371 6.010 732 H LYS 91 HN LYS 91 -10.778 -5.097 4.948 733 HA LYS 91 HA LYS 91 -13.331 -5.417 5.732 734 1HB LYS 91 HB3 LYS 91 -11.628 -6.655 3.937 735 2HB LYS 91 HB2 LYS 91 -12.200 -7.989 4.931 736 1HG LYS 91 HG3 LYS 91 -14.110 -6.018 3.753 737 2HG LYS 91 HG2 LYS 91 -13.512 -7.392 2.828 738 1HD LYS 91 HD2 LYS 91 -14.907 -7.564 5.499 739 2HD LYS 91 HD3 LYS 91 -15.690 -7.799 3.940 740 1HE LYS 91 HE2 LYS 91 -14.172 -9.693 3.505 741 2HE LYS 91 HE3 LYS 91 -13.471 -9.472 5.109 742 1HZ LYS 91 HZ1 LYS 91 -16.199 -9.585 5.485 743 2HZ LYS 91 HZ2 LYS 91 -15.074 -10.804 5.858 744 3HZ LYS 91 HZ3 LYS 91 -15.864 -10.794 4.355 745 H ASP 92 HN ASP 92 -11.313 -8.249 6.427 746 HA ASP 92 HA ASP 92 -12.469 -8.259 9.110 747 1HB ASP 92 HB2 ASP 92 -12.455 -10.707 9.034 748 2HB ASP 92 HB3 ASP 92 -13.467 -10.045 7.769 749 H PHE 93 HN PHE 93 -11.094 -10.007 10.428 750 HA PHE 93 HA PHE 93 -9.081 -10.662 11.343 751 1HB PHE 93 HB2 PHE 93 -8.133 -10.724 9.040 752 2HB PHE 93 HB3 PHE 93 -7.671 -9.038 9.212 753 HD1 PHE 93 HD1 PHE 93 -7.453 -11.754 11.699 754 HD2 PHE 93 HD2 PHE 93 -5.333 -9.118 9.126 755 HE1 PHE 93 HE1 PHE 93 -5.325 -12.490 12.694 756 HE2 PHE 93 HE2 PHE 93 -3.194 -9.868 10.118 757 HZ PHE 93 HZ PHE 93 -3.197 -11.531 11.911 758 H GLU 94 HN GLU 94 -9.452 -9.653 13.185 759 HA GLU 94 HA GLU 94 -9.627 -6.944 13.702 760 1HB GLU 94 HB3 GLU 94 -8.648 -9.044 15.649 761 2HB GLU 94 HB2 GLU 94 -9.391 -7.503 16.054 762 1HG GLU 94 HG3 GLU 94 -11.489 -8.254 15.029 763 2HG GLU 94 HG2 GLU 94 -10.728 -9.800 14.648 764 H THR 95 HN THR 95 -6.776 -9.051 13.907 765 HA THR 95 HA THR 95 -5.114 -6.834 14.758 766 HB THR 95 HB THR 95 -4.198 -9.525 13.743 767 HG1 THR 95 HG1 THR 95 -5.480 -8.842 16.117 768 1HG2 THR 95 HG21 THR 95 -2.964 -7.789 15.871 769 2HG2 THR 95 HG22 THR 95 -2.467 -7.785 14.182 770 3HG2 THR 95 HG23 THR 95 -2.295 -9.251 15.143 771 H SER 96 HN SER 96 -5.905 -5.519 12.887 772 HA SER 96 HA SER 96 -3.964 -5.252 10.921 773 1HB SER 96 HB3 SER 96 -5.318 -7.379 10.199 774 2HB SER 96 HB2 SER 96 -6.556 -6.215 9.739 775 HG SER 96 HG SER 96 -4.647 -5.176 8.579 776 H GLU 97 HN GLU 97 -7.351 -4.885 11.832 777 HA GLU 97 HA GLU 97 -8.016 -2.589 10.379 778 1HB GLU 97 HB2 GLU 97 -8.978 -3.464 13.104 779 2HB GLU 97 HB3 GLU 97 -9.751 -2.217 12.137 780 1HG GLU 97 HG2 GLU 97 -10.283 -3.852 10.422 781 2HG GLU 97 HG3 GLU 97 -9.474 -5.113 11.351 782 H TYR 98 HN TYR 98 -6.665 -2.859 13.651 783 HA TYR 98 HA TYR 98 -6.609 -0.057 14.154 784 1HB TYR 98 HB2 TYR 98 -4.996 -2.273 15.447 785 2HB TYR 98 HB3 TYR 98 -5.113 -0.622 16.044 786 HD1 TYR 98 HD1 TYR 98 -7.151 -3.659 15.336 787 HD2 TYR 98 HD2 TYR 98 -6.861 0.027 17.459 788 HE1 TYR 98 HE1 TYR 98 -9.184 -4.227 16.608 789 HE2 TYR 98 HE2 TYR 98 -8.871 -0.561 18.760 790 HH TYR 98 HH TYR 98 -11.000 -2.141 18.174 791 H VAL 99 HN VAL 99 -4.475 -2.212 12.489 792 HA VAL 99 HA VAL 99 -2.200 -0.471 12.504 793 HB VAL 99 HB VAL 99 -2.821 -2.705 10.559 794 1HG1 VAL 99 HG21 VAL 99 -0.909 -0.894 10.230 795 2HG1 VAL 99 HG22 VAL 99 -0.052 -1.972 11.338 796 3HG1 VAL 99 HG23 VAL 99 -0.682 -2.593 9.812 797 1HG2 VAL 99 HG11 VAL 99 -0.972 -3.644 12.403 798 2HG2 VAL 99 HG12 VAL 99 -2.185 -2.797 13.365 799 3HG2 VAL 99 HG13 VAL 99 -2.674 -4.097 12.274 800 H ARG 100 HN ARG 100 -4.958 -1.139 10.384 801 HA ARG 100 HA ARG 100 -4.208 0.387 8.173 802 1HB ARG 100 HB2 ARG 100 -6.106 -1.116 8.122 803 2HB ARG 100 HB3 ARG 100 -6.962 -0.147 9.312 804 1HG ARG 100 HG2 ARG 100 -6.116 1.146 6.772 805 2HG ARG 100 HG3 ARG 100 -7.488 0.039 6.753 806 1HD ARG 100 HD2 ARG 100 -7.215 2.522 8.432 807 2HD ARG 100 HD3 ARG 100 -8.301 2.289 7.066 808 HE ARG 100 HE ARG 100 -8.726 0.369 9.126 809 1HH1 ARG 100 HH12 ARG 100 -10.172 3.344 7.726 810 2HH1 ARG 100 HH11 ARG 100 -10.058 4.009 9.332 811 1HH2 ARG 100 HH22 ARG 100 -10.665 1.458 11.017 812 2HH2 ARG 100 HH21 ARG 100 -11.636 1.018 9.630 813 H LYS 101 HN LYS 101 -5.607 1.331 11.260 814 HA LYS 101 HA LYS 101 -6.315 3.998 10.655 815 1HB LYS 101 HB3 LYS 101 -5.609 2.555 13.207 816 2HB LYS 101 HB2 LYS 101 -5.987 4.265 13.204 817 1HG LYS 101 HG2 LYS 101 -8.151 3.757 12.218 818 2HG LYS 101 HG3 LYS 101 -7.757 2.041 12.283 819 1HD LYS 101 HD2 LYS 101 -9.185 2.665 14.167 820 2HD LYS 101 HD3 LYS 101 -7.600 2.142 14.742 821 1HE LYS 101 HE2 LYS 101 -6.977 4.573 14.892 822 2HE LYS 101 HE3 LYS 101 -8.643 4.943 14.454 823 1HZ LYS 101 HZ1 LYS 101 -8.959 3.243 16.515 824 2HZ LYS 101 HZ2 LYS 101 -9.025 4.935 16.604 825 3HZ LYS 101 HZ3 LYS 101 -7.591 4.122 16.988 826 H ALA 102 HN ALA 102 -3.290 2.476 11.351 827 HA ALA 102 HA ALA 102 -1.860 4.864 12.006 828 1HB ALA 102 HB1 ALA 102 -1.266 2.031 11.747 829 2HB ALA 102 HB2 ALA 102 0.013 3.024 11.046 830 3HB ALA 102 HB3 ALA 102 -0.468 3.259 12.727 831 H TRP 103 HN TRP 103 -2.509 3.051 9.053 832 HA TRP 103 HA TRP 103 -0.706 4.425 7.372 833 1HB TRP 103 HB3 TRP 103 -3.298 3.024 6.683 834 2HB TRP 103 HB2 TRP 103 -2.170 3.652 5.482 835 HD1 TRP 103 HD1 TRP 103 -1.747 1.469 8.623 836 HE1 TRP 103 HE1 TRP 103 -0.296 -0.564 8.026 837 HE3 TRP 103 HE3 TRP 103 -0.925 2.441 3.662 838 HZ2 TRP 103 HZ2 TRP 103 1.033 -1.556 5.774 839 HZ3 TRP 103 HZ3 TRP 103 0.548 0.843 2.432 840 HH2 TRP 103 HH2 TRP 103 1.460 -1.051 3.430 841 H LEU 104 HN LEU 104 -3.712 5.332 8.785 842 HA LEU 104 HA LEU 104 -4.498 7.385 6.974 843 1HB LEU 104 HB2 LEU 104 -5.098 6.770 9.850 844 2HB LEU 104 HB3 LEU 104 -5.535 8.333 9.199 845 HG LEU 104 HG LEU 104 -7.083 7.332 7.647 846 1HD1 LEU 104 HD11 LEU 104 -6.479 4.581 8.698 847 2HD1 LEU 104 HD12 LEU 104 -7.314 5.060 7.215 848 3HD1 LEU 104 HD13 LEU 104 -5.576 5.259 7.343 849 1HD2 LEU 104 HD21 LEU 104 -7.476 5.810 10.178 850 2HD2 LEU 104 HD22 LEU 104 -7.571 7.568 10.180 851 3HD2 LEU 104 HD23 LEU 104 -8.688 6.615 9.187 852 H ARG 105 HN ARG 105 -2.356 7.183 9.721 853 HA ARG 105 HA ARG 105 -1.789 10.023 9.867 854 1HB ARG 105 HB2 ARG 105 -1.573 8.510 11.856 855 2HB ARG 105 HB3 ARG 105 -0.251 7.683 11.040 856 1HG ARG 105 HG3 ARG 105 0.706 9.200 12.603 857 2HG ARG 105 HG2 ARG 105 0.978 9.858 10.983 858 1HD ARG 105 HD3 ARG 105 -1.122 11.194 11.307 859 2HD ARG 105 HD2 ARG 105 -1.057 10.730 13.007 860 HE ARG 105 HE ARG 105 1.432 11.777 12.270 861 1HH1 ARG 105 HH11 ARG 105 -1.884 13.213 13.186 862 2HH1 ARG 105 HH12 ARG 105 -1.410 14.271 11.881 863 1HH2 ARG 105 HH22 ARG 105 1.217 14.448 13.830 864 2HH2 ARG 105 HH21 ARG 105 1.267 14.728 12.114 865 H ASP 106 HN ASP 106 -0.320 7.125 8.461 866 HA ASP 106 HA ASP 106 2.085 8.293 7.593 867 1HB ASP 106 HB2 ASP 106 0.556 5.982 6.364 868 2HB ASP 106 HB3 ASP 106 2.228 6.406 6.027 869 H ILE 107 HN ILE 107 -0.868 7.545 5.779 870 HA ILE 107 HA ILE 107 -0.263 8.893 3.421 871 HB ILE 107 HB ILE 107 -2.708 7.861 4.717 872 1HG1 ILE 107 HG12 ILE 107 -3.076 7.021 2.356 873 2HG1 ILE 107 HG13 ILE 107 -1.539 7.768 1.931 874 1HG2 ILE 107 HG21 ILE 107 -2.979 9.847 2.468 875 2HG2 ILE 107 HG22 ILE 107 -4.275 8.971 3.279 876 3HG2 ILE 107 HG23 ILE 107 -3.351 10.197 4.155 877 1HD1 ILE 107 HD11 ILE 107 -2.126 5.316 3.460 878 2HD1 ILE 107 HD12 ILE 107 -0.813 5.663 2.340 879 3HD1 ILE 107 HD13 ILE 107 -0.734 6.254 4.002 880 H ALA 108 HN ALA 108 -1.730 10.125 6.376 881 HA ALA 108 HA ALA 108 -2.600 12.588 5.454 882 1HB ALA 108 HB1 ALA 108 -3.213 12.931 7.586 883 2HB ALA 108 HB2 ALA 108 -2.632 11.292 7.863 884 3HB ALA 108 HB3 ALA 108 -1.578 12.665 8.193 885 H GLU 109 HN GLU 109 0.546 11.704 6.827 886 HA GLU 109 HA GLU 109 1.800 13.838 5.405 887 1HB GLU 109 HB3 GLU 109 2.630 15.026 7.485 888 2HB GLU 109 HB2 GLU 109 0.941 15.282 7.074 889 1HG GLU 109 HG3 GLU 109 0.178 14.180 8.887 890 2HG GLU 109 HG2 GLU 109 1.547 13.071 8.956 891 H GLU 110 HN GLU 110 2.061 10.977 7.357 892 HA GLU 110 HA GLU 110 4.734 11.301 8.054 893 1HB GLU 110 HB2 GLU 110 2.833 9.502 8.657 894 2HB GLU 110 HB3 GLU 110 3.893 8.546 7.625 895 1HG GLU 110 HG3 GLU 110 5.729 8.870 9.022 896 2HG GLU 110 HG2 GLU 110 4.982 10.249 9.819 897 H GLN 111 HN GLN 111 3.258 9.844 5.201 898 HA GLN 111 HA GLN 111 5.754 9.106 4.015 899 1HB GLN 111 HB3 GLN 111 4.409 8.835 1.922 900 2HB GLN 111 HB2 GLN 111 3.857 7.878 3.283 901 1HG GLN 111 HG3 GLN 111 2.101 9.560 3.694 902 2HG GLN 111 HG2 GLN 111 2.611 10.391 2.227 903 1HE2 GLN 111 HE21 GLN 111 1.350 9.970 0.567 904 2HE2 GLN 111 HE22 GLN 111 0.566 8.465 0.237 905 H GLU 112 HN GLU 112 6.575 11.291 4.672 906 HA GLU 112 HA GLU 112 5.978 13.723 3.618 907 1HB GLU 112 HB3 GLU 112 8.433 14.224 3.906 908 2HB GLU 112 HB2 GLU 112 7.623 13.538 5.312 909 1HG GLU 112 HG2 GLU 112 8.533 11.322 4.720 910 2HG GLU 112 HG3 GLU 112 9.358 12.044 3.337 911 H LYS 113 HN LYS 113 7.628 11.116 1.922 912 HA LYS 113 HA LYS 113 8.729 12.700 -0.150 913 1HB LYS 113 HB3 LYS 113 7.835 9.819 -0.332 914 2HB LYS 113 HB2 LYS 113 8.966 10.635 -1.400 915 1HG LYS 113 HG2 LYS 113 9.351 9.783 1.433 916 2HG LYS 113 HG3 LYS 113 10.309 9.376 0.011 917 1HD LYS 113 HD3 LYS 113 11.114 11.646 -0.124 918 2HD LYS 113 HD2 LYS 113 10.122 12.092 1.263 919 1HE LYS 113 HE3 LYS 113 11.405 10.559 2.684 920 2HE LYS 113 HE2 LYS 113 12.351 10.054 1.283 921 1HZ LYS 113 HZ1 LYS 113 12.310 12.769 2.458 922 2HZ LYS 113 HZ2 LYS 113 13.128 12.339 1.032 923 3HZ LYS 113 HZ3 LYS 113 13.576 11.659 2.521 924 H TYR 114 HN TYR 114 5.540 11.440 0.393 925 HA TYR 114 HA TYR 114 4.622 11.911 -2.274 926 1HB TYR 114 HB3 TYR 114 3.488 10.294 -0.842 927 2HB TYR 114 HB2 TYR 114 3.037 11.580 0.275 928 HD1 TYR 114 HD1 TYR 114 2.778 10.961 -3.431 929 HD2 TYR 114 HD2 TYR 114 0.855 12.302 0.128 930 HE1 TYR 114 HE1 TYR 114 0.712 11.400 -4.705 931 HE2 TYR 114 HE2 TYR 114 -1.215 12.673 -1.135 932 HH TYR 114 HH TYR 114 -1.483 11.739 -4.518 933 H ALA 115 HN ALA 115 3.825 13.451 0.801 934 HA ALA 115 HA ALA 115 3.200 15.536 1.386 935 1HB ALA 115 HB1 ALA 115 4.394 17.394 0.285 936 2HB ALA 115 HB2 ALA 115 5.453 16.081 0.798 937 3HB ALA 115 HB3 ALA 115 5.027 16.248 -0.901 938 H ALA 116 HN ALA 116 3.397 17.288 -1.413 939 HA ALA 116 HA ALA 116 0.796 16.641 -2.473 940 1HB ALA 116 HB1 ALA 116 1.090 19.457 -1.563 941 2HB ALA 116 HB2 ALA 116 -0.376 18.507 -1.834 942 3HB ALA 116 HB3 ALA 116 0.603 18.226 -0.394 943 H GLU 117 HN GLU 117 1.535 16.442 -4.523 944 HA GLU 117 HA GLU 117 3.156 18.612 -5.629 945 1HB GLU 117 HB3 GLU 117 2.787 15.764 -6.326 946 2HB GLU 117 HB2 GLU 117 3.090 16.872 -7.654 947 1HG GLU 117 HG3 GLU 117 5.121 17.642 -6.321 948 2HG GLU 117 HG2 GLU 117 4.843 16.220 -5.317 949 H ARG 118 HN ARG 118 2.716 19.351 -7.780 950 HA ARG 118 HA ARG 118 -0.114 19.250 -8.542 951 1HB ARG 118 HB3 ARG 118 1.605 21.733 -8.300 952 2HB ARG 118 HB2 ARG 118 0.012 21.691 -9.034 953 1HG ARG 118 HG2 ARG 118 -1.051 21.241 -6.981 954 2HG ARG 118 HG3 ARG 118 0.483 20.866 -6.196 955 1HD ARG 118 HD3 ARG 118 1.170 23.148 -6.275 956 2HD ARG 118 HD2 ARG 118 -0.198 23.587 -7.295 957 HE ARG 118 HE ARG 118 -1.364 23.951 -5.398 958 1HH1 ARG 118 HH11 ARG 118 1.386 22.072 -3.706 959 2HH1 ARG 118 HH12 ARG 118 0.216 20.792 -3.919 960 1HH2 ARG 118 HH22 ARG 118 -2.282 22.795 -3.086 961 2HH2 ARG 118 HH21 ARG 118 -0.902 23.521 -2.302 962 H ASP 119 HN ASP 119 3.019 20.616 -9.516 963 HA ASP 119 HA ASP 119 2.690 19.397 -12.158 964 1HB ASP 119 HB3 ASP 119 2.105 21.815 -12.273 965 2HB ASP 119 HB2 ASP 119 3.700 22.205 -11.644 Start of MODEL 21 1 1H MET 1 HT1 MET 1 22.394 -7.012 9.914 2 2H MET 1 HT2 MET 1 23.098 -6.610 11.433 3 3H MET 1 HT3 MET 1 23.557 -5.744 10.018 4 HA MET 1 HA MET 1 20.829 -5.798 11.123 5 1HB MET 1 HB2 MET 1 21.359 -3.543 11.994 6 2HB MET 1 HB3 MET 1 22.353 -4.782 12.741 7 1HG MET 1 HG3 MET 1 24.229 -4.166 11.344 8 2HG MET 1 HG2 MET 1 23.243 -2.981 10.494 9 1HE MET 1 HE1 MET 1 23.996 -4.314 13.839 10 2HE MET 1 HE2 MET 1 25.303 -3.215 14.305 11 3HE MET 1 HE3 MET 1 23.681 -2.966 14.932 12 H GLY 2 HN GLY 2 20.255 -3.180 10.478 13 1HA GLY 2 HA1 GLY 2 20.497 -1.726 8.473 14 2HA GLY 2 HA2 GLY 2 20.513 -3.215 7.537 15 H ASP 3 HN ASP 3 18.614 -4.553 7.617 16 HA ASP 3 HA ASP 3 16.216 -2.933 7.426 17 1HB ASP 3 HB3 ASP 3 16.805 -5.815 6.720 18 2HB ASP 3 HB2 ASP 3 15.213 -5.088 6.557 19 H THR 4 HN THR 4 16.778 -2.829 9.942 20 HA THR 4 HA THR 4 15.813 -5.004 11.513 21 HB THR 4 HB THR 4 16.217 -2.119 12.342 22 HG1 THR 4 HG1 THR 4 18.066 -4.230 12.645 23 1HG2 THR 4 HG21 THR 4 15.428 -4.464 13.803 24 2HG2 THR 4 HG22 THR 4 15.540 -2.786 14.332 25 3HG2 THR 4 HG23 THR 4 16.959 -3.832 14.398 26 H GLY 5 HN GLY 5 13.798 -5.558 11.704 27 1HA GLY 5 HA2 GLY 5 11.651 -4.645 12.710 28 2HA GLY 5 HA1 GLY 5 11.696 -3.518 11.355 29 H LYS 6 HN LYS 6 11.603 -6.886 12.258 30 HA LYS 6 HA LYS 6 11.316 -8.121 9.834 31 1HB LYS 6 HB3 LYS 6 9.900 -8.839 12.409 32 2HB LYS 6 HB2 LYS 6 9.986 -9.876 10.998 33 1HG LYS 6 HG3 LYS 6 11.655 -10.723 12.358 34 2HG LYS 6 HG2 LYS 6 12.545 -9.664 11.264 35 1HD LYS 6 HD2 LYS 6 12.521 -7.903 12.969 36 2HD LYS 6 HD3 LYS 6 11.659 -8.988 14.060 37 1HE LYS 6 HE3 LYS 6 13.546 -10.582 13.890 38 2HE LYS 6 HE2 LYS 6 14.424 -9.391 12.935 39 1HZ LYS 6 HZ1 LYS 6 13.383 -8.498 15.507 40 2HZ LYS 6 HZ2 LYS 6 14.848 -8.124 14.739 41 3HZ LYS 6 HZ3 LYS 6 14.660 -9.597 15.559 42 H LEU 7 HN LEU 7 8.619 -6.994 11.865 43 HA LEU 7 HA LEU 7 6.986 -7.030 9.427 44 1HB LEU 7 HB3 LEU 7 6.139 -7.010 12.323 45 2HB LEU 7 HB2 LEU 7 5.037 -7.013 10.957 46 HG LEU 7 HG LEU 7 7.010 -9.214 11.585 47 1HD1 LEU 7 HD21 LEU 7 4.113 -9.656 11.830 48 2HD1 LEU 7 HD22 LEU 7 5.445 -10.321 12.779 49 3HD1 LEU 7 HD23 LEU 7 4.866 -8.681 13.097 50 1HD2 LEU 7 HD11 LEU 7 6.452 -10.160 9.662 51 2HD2 LEU 7 HD12 LEU 7 4.739 -9.856 9.889 52 3HD2 LEU 7 HD13 LEU 7 5.771 -8.598 9.209 53 H GLY 8 HN GLY 8 8.688 -4.965 9.547 54 1HA GLY 8 HA1 GLY 8 6.852 -2.743 9.723 55 2HA GLY 8 HA2 GLY 8 8.234 -2.646 10.807 56 H ARG 9 HN ARG 9 10.347 -3.335 9.567 57 HA ARG 9 HA ARG 9 11.955 -2.577 8.155 58 1HB ARG 9 HB3 ARG 9 9.758 -3.023 6.123 59 2HB ARG 9 HB2 ARG 9 11.478 -2.884 5.754 60 1HG ARG 9 HG2 ARG 9 11.776 -4.865 7.329 61 2HG ARG 9 HG3 ARG 9 10.034 -5.065 7.198 62 1HD ARG 9 HD2 ARG 9 10.125 -5.516 4.914 63 2HD ARG 9 HD3 ARG 9 11.757 -4.854 4.748 64 HE ARG 9 HE ARG 9 12.579 -6.911 5.274 65 1HH1 ARG 9 HH12 ARG 9 9.073 -7.804 5.438 66 2HH1 ARG 9 HH11 ARG 9 9.244 -7.742 7.172 67 1HH2 ARG 9 HH22 ARG 9 11.658 -9.570 5.488 68 2HH2 ARG 9 HH21 ARG 9 11.923 -9.235 7.175 69 H ILE 10 HN ILE 10 10.385 -1.198 5.675 70 HA ILE 10 HA ILE 10 10.648 1.459 6.864 71 HB ILE 10 HB ILE 10 12.186 1.299 5.079 72 1HG1 ILE 10 HG12 ILE 10 11.358 3.013 3.485 73 2HG1 ILE 10 HG13 ILE 10 9.730 2.776 4.116 74 1HG2 ILE 10 HG21 ILE 10 11.991 0.151 3.208 75 2HG2 ILE 10 HG22 ILE 10 10.586 -0.596 3.988 76 3HG2 ILE 10 HG23 ILE 10 10.372 0.756 2.870 77 1HD1 ILE 10 HD11 ILE 10 11.875 3.466 6.052 78 2HD1 ILE 10 HD12 ILE 10 11.269 4.726 4.977 79 3HD1 ILE 10 HD13 ILE 10 10.155 3.883 6.046 80 H ILE 11 HN ILE 11 8.912 2.625 7.083 81 HA ILE 11 HA ILE 11 6.805 3.316 7.144 82 HB ILE 11 HB ILE 11 6.299 1.957 4.493 83 1HG1 ILE 11 HG13 ILE 11 7.513 4.679 5.062 84 2HG1 ILE 11 HG12 ILE 11 8.290 3.333 4.227 85 1HG2 ILE 11 HG21 ILE 11 4.457 3.028 6.022 86 2HG2 ILE 11 HG22 ILE 11 5.101 4.540 5.389 87 3HG2 ILE 11 HG23 ILE 11 4.461 3.328 4.285 88 1HD1 ILE 11 HD11 ILE 11 6.657 5.420 3.167 89 2HD1 ILE 11 HD12 ILE 11 7.565 4.165 2.315 90 3HD1 ILE 11 HD13 ILE 11 5.904 3.857 2.844 91 H ARG 12 HN ARG 12 5.116 1.019 5.390 92 HA ARG 12 HA ARG 12 4.941 -0.922 7.550 93 1HB ARG 12 HB2 ARG 12 3.281 1.217 7.727 94 2HB ARG 12 HB3 ARG 12 2.308 0.158 6.701 95 1HG ARG 12 HG2 ARG 12 1.678 -0.174 8.974 96 2HG ARG 12 HG3 ARG 12 2.537 -1.616 8.425 97 1HD ARG 12 HD2 ARG 12 3.276 -1.024 10.643 98 2HD ARG 12 HD3 ARG 12 4.591 -0.743 9.503 99 HE ARG 12 HE ARG 12 3.000 1.601 9.986 100 1HH1 ARG 12 HH11 ARG 12 6.429 0.826 10.263 101 2HH1 ARG 12 HH12 ARG 12 6.030 0.086 11.782 102 1HH2 ARG 12 HH21 ARG 12 4.652 3.427 10.775 103 2HH2 ARG 12 HH22 ARG 12 4.609 2.920 12.444 104 H HIS 13 HN HIS 13 3.640 -2.797 7.011 105 HA HIS 13 HA HIS 13 2.700 -3.017 4.281 106 1HB HIS 13 HB2 HIS 13 4.060 -4.818 3.605 107 2HB HIS 13 HB3 HIS 13 5.172 -3.662 4.325 108 HD1 HIS 13 HD1 HIS 13 5.339 -4.345 7.183 109 HD2 HIS 13 HD2 HIS 13 4.824 -7.261 4.272 110 HE1 HIS 13 HE1 HIS 13 6.230 -6.476 8.185 111 HE2 HIS 13 HE2 HIS 13 5.984 -8.210 6.382 112 H ASP 14 HN ASP 14 0.735 -3.756 4.460 113 HA ASP 14 HA ASP 14 0.149 -6.022 6.208 114 1HB ASP 14 HB3 ASP 14 -0.237 -3.936 7.539 115 2HB ASP 14 HB2 ASP 14 -1.433 -3.438 6.339 116 H ALA 15 HN ALA 15 -1.738 -7.168 5.613 117 HA ALA 15 HA ALA 15 -2.667 -6.614 2.878 118 1HB ALA 15 HB1 ALA 15 -3.496 -8.896 2.860 119 2HB ALA 15 HB2 ALA 15 -1.786 -8.845 3.277 120 3HB ALA 15 HB3 ALA 15 -2.988 -9.110 4.535 121 H PHE 16 HN PHE 16 -4.699 -6.115 2.384 122 HA PHE 16 HA PHE 16 -6.661 -6.068 4.576 123 1HB PHE 16 HB2 PHE 16 -6.399 -4.176 2.223 124 2HB PHE 16 HB3 PHE 16 -7.730 -4.165 3.375 125 HD1 PHE 16 HD1 PHE 16 -6.926 -4.073 5.891 126 HD2 PHE 16 HD2 PHE 16 -4.700 -2.661 2.579 127 HE1 PHE 16 HE1 PHE 16 -5.645 -2.597 7.392 128 HE2 PHE 16 HE2 PHE 16 -3.397 -1.186 4.070 129 HZ PHE 16 HZ PHE 16 -3.871 -1.153 6.479 130 H GLN 17 HN GLN 17 -8.978 -6.050 3.606 131 HA GLN 17 HA GLN 17 -9.024 -7.975 1.383 132 1HB GLN 17 HB3 GLN 17 -9.433 -9.106 3.529 133 2HB GLN 17 HB2 GLN 17 -10.750 -7.994 3.873 134 1HG GLN 17 HG3 GLN 17 -12.139 -8.946 2.276 135 2HG GLN 17 HG2 GLN 17 -10.798 -9.704 1.419 136 1HE2 GLN 17 HE21 GLN 17 -10.762 -11.828 1.645 137 2HE2 GLN 17 HE22 GLN 17 -11.055 -12.692 3.105 138 H VAL 18 HN VAL 18 -9.215 -6.062 0.163 139 HA VAL 18 HA VAL 18 -11.967 -5.208 -0.180 140 HB VAL 18 HB VAL 18 -11.014 -2.832 -0.413 141 1HG1 VAL 18 HG21 VAL 18 -11.402 -4.012 2.339 142 2HG1 VAL 18 HG22 VAL 18 -11.636 -2.332 1.860 143 3HG1 VAL 18 HG23 VAL 18 -12.706 -3.588 1.220 144 1HG2 VAL 18 HG11 VAL 18 -8.765 -2.941 -0.141 145 2HG2 VAL 18 HG12 VAL 18 -9.244 -2.616 1.524 146 3HG2 VAL 18 HG13 VAL 18 -8.848 -4.262 1.021 147 H TRP 19 HN TRP 19 -12.279 -3.993 -1.974 148 HA TRP 19 HA TRP 19 -11.609 -5.058 -4.360 149 1HB TRP 19 HB2 TRP 19 -12.308 -2.171 -4.027 150 2HB TRP 19 HB3 TRP 19 -12.898 -3.321 -5.229 151 HD1 TRP 19 HD1 TRP 19 -14.787 -5.094 -4.384 152 HE1 TRP 19 HE1 TRP 19 -16.493 -4.965 -2.466 153 HE3 TRP 19 HE3 TRP 19 -12.613 -1.417 -1.609 154 HZ2 TRP 19 HZ2 TRP 19 -16.866 -3.491 -0.074 155 HZ3 TRP 19 HZ3 TRP 19 -13.688 -0.676 0.477 156 HH2 TRP 19 HH2 TRP 19 -15.788 -1.715 1.230 157 H GLU 20 HN GLU 20 -10.055 -4.918 -5.752 158 HA GLU 20 HA GLU 20 -8.242 -2.634 -5.915 159 1HB GLU 20 HB2 GLU 20 -7.123 -3.897 -4.266 160 2HB GLU 20 HB3 GLU 20 -7.360 -5.395 -5.137 161 1HG GLU 20 HG2 GLU 20 -5.040 -4.557 -5.136 162 2HG GLU 20 HG3 GLU 20 -5.708 -4.816 -6.741 163 H GLY 21 HN GLY 21 -10.214 -3.535 -7.566 164 1HA GLY 21 HA1 GLY 21 -10.241 -3.408 -9.969 165 2HA GLY 21 HA2 GLY 21 -8.698 -4.244 -9.979 166 H ASP 22 HN ASP 22 -11.112 -5.025 -11.368 167 HA ASP 22 HA ASP 22 -12.381 -6.877 -11.763 168 1HB ASP 22 HB2 ASP 22 -10.178 -8.036 -11.699 169 2HB ASP 22 HB3 ASP 22 -10.358 -8.270 -9.964 170 H GLU 23 HN GLU 23 -13.128 -5.081 -9.975 171 HA GLU 23 HA GLU 23 -14.039 -4.624 -7.913 172 1HB GLU 23 HB3 GLU 23 -15.920 -6.016 -9.724 173 2HB GLU 23 HB2 GLU 23 -16.482 -5.459 -8.157 174 1HG GLU 23 HG2 GLU 23 -15.058 -3.699 -10.107 175 2HG GLU 23 HG3 GLU 23 -16.805 -3.848 -10.053 176 HA PRO 24 HA PRO 24 -15.986 -8.687 -5.569 177 1HB PRO 24 HB2 PRO 24 -14.043 -10.369 -7.121 178 2HB PRO 24 HB3 PRO 24 -15.550 -10.835 -6.349 179 1HG PRO 24 HG2 PRO 24 -15.269 -10.220 -9.017 180 2HG PRO 24 HG3 PRO 24 -16.798 -10.168 -8.121 181 1HD PRO 24 HD3 PRO 24 -15.381 -7.987 -9.294 182 2HD PRO 24 HD2 PRO 24 -16.849 -7.910 -8.303 183 HA PRO 25 HA PRO 25 -12.400 -7.417 -3.151 184 1HB PRO 25 HB3 PRO 25 -13.523 -8.218 -0.774 185 2HB PRO 25 HB2 PRO 25 -13.757 -6.653 -1.526 186 1HG PRO 25 HG3 PRO 25 -15.535 -9.043 -1.511 187 2HG PRO 25 HG2 PRO 25 -15.962 -7.322 -1.435 188 1HD PRO 25 HD3 PRO 25 -16.209 -8.783 -3.686 189 2HD PRO 25 HD2 PRO 25 -15.831 -7.055 -3.702 190 H LYS 26 HN LYS 26 -10.639 -8.501 -2.941 191 HA LYS 26 HA LYS 26 -10.701 -11.390 -2.540 192 1HB LYS 26 HB2 LYS 26 -8.683 -9.638 -3.851 193 2HB LYS 26 HB3 LYS 26 -8.512 -11.354 -3.638 194 1HG LYS 26 HG2 LYS 26 -10.254 -11.833 -5.140 195 2HG LYS 26 HG3 LYS 26 -10.846 -10.176 -5.092 196 1HD LYS 26 HD2 LYS 26 -8.823 -9.428 -6.272 197 2HD LYS 26 HD3 LYS 26 -8.263 -11.099 -6.352 198 1HE LYS 26 HE3 LYS 26 -10.164 -11.719 -7.711 199 2HE LYS 26 HE2 LYS 26 -10.862 -10.112 -7.536 200 1HZ LYS 26 HZ1 LYS 26 -9.821 -10.237 -9.649 201 2HZ LYS 26 HZ2 LYS 26 -8.389 -10.859 -8.992 202 3HZ LYS 26 HZ3 LYS 26 -8.824 -9.256 -8.674 203 H LEU 27 HN LEU 27 -7.589 -10.469 -2.325 204 HA LEU 27 HA LEU 27 -7.497 -9.679 0.433 205 1HB LEU 27 HB3 LEU 27 -7.600 -12.336 -0.037 206 2HB LEU 27 HB2 LEU 27 -5.888 -12.085 -0.283 207 HG LEU 27 HG LEU 27 -7.364 -11.307 2.232 208 1HD1 LEU 27 HD11 LEU 27 -6.795 -13.315 3.186 209 2HD1 LEU 27 HD12 LEU 27 -7.170 -13.811 1.540 210 3HD1 LEU 27 HD13 LEU 27 -5.487 -13.612 2.046 211 1HD2 LEU 27 HD21 LEU 27 -5.484 -10.020 2.330 212 2HD2 LEU 27 HD22 LEU 27 -4.844 -11.523 3.007 213 3HD2 LEU 27 HD23 LEU 27 -4.544 -11.114 1.315 214 H ARG 28 HN ARG 28 -6.448 -7.849 -0.400 215 HA ARG 28 HA ARG 28 -4.151 -8.274 -2.143 216 1HB ARG 28 HB2 ARG 28 -5.423 -5.676 -1.293 217 2HB ARG 28 HB3 ARG 28 -4.275 -5.915 -2.605 218 1HG ARG 28 HG2 ARG 28 -7.034 -7.108 -2.495 219 2HG ARG 28 HG3 ARG 28 -6.584 -5.648 -3.384 220 1HD ARG 28 HD2 ARG 28 -5.489 -8.425 -3.845 221 2HD ARG 28 HD3 ARG 28 -6.654 -7.588 -4.870 222 HE ARG 28 HE ARG 28 -4.194 -6.138 -4.521 223 1HH1 ARG 28 HH12 ARG 28 -6.225 -7.658 -6.857 224 2HH1 ARG 28 HH11 ARG 28 -4.918 -8.310 -7.794 225 1HH2 ARG 28 HH22 ARG 28 -3.651 -5.758 -7.437 226 2HH2 ARG 28 HH21 ARG 28 -2.514 -6.965 -6.952 227 H TYR 29 HN TYR 29 -2.137 -8.128 -1.534 228 HA TYR 29 HA TYR 29 -1.489 -7.491 1.223 229 1HB TYR 29 HB2 TYR 29 0.299 -8.350 -1.070 230 2HB TYR 29 HB3 TYR 29 0.783 -8.233 0.616 231 HD1 TYR 29 HD1 TYR 29 1.490 -10.612 -0.439 232 HD2 TYR 29 HD2 TYR 29 -2.423 -9.508 0.812 233 HE1 TYR 29 HE1 TYR 29 0.933 -12.986 -0.139 234 HE2 TYR 29 HE2 TYR 29 -2.992 -11.882 1.126 235 HH TYR 29 HH TYR 29 -2.095 -13.960 1.359 236 H VAL 30 HN VAL 30 -1.436 -5.332 1.604 237 HA VAL 30 HA VAL 30 -0.369 -3.510 -0.400 238 HB VAL 30 HB VAL 30 -1.443 -2.773 2.330 239 1HG1 VAL 30 HG21 VAL 30 -0.317 -0.920 1.429 240 2HG1 VAL 30 HG22 VAL 30 -0.880 -1.257 -0.200 241 3HG1 VAL 30 HG23 VAL 30 -2.015 -0.643 1.003 242 1HG2 VAL 30 HG11 VAL 30 -2.869 -3.548 -0.141 243 2HG2 VAL 30 HG12 VAL 30 -3.365 -3.680 1.546 244 3HG2 VAL 30 HG13 VAL 30 -3.459 -2.124 0.712 245 H PHE 31 HN PHE 31 1.698 -3.212 -0.467 246 HA PHE 31 HA PHE 31 3.240 -3.173 2.049 247 1HB PHE 31 HB2 PHE 31 4.194 -3.790 -0.754 248 2HB PHE 31 HB3 PHE 31 5.164 -3.865 0.709 249 HD1 PHE 31 HD1 PHE 31 4.320 -5.504 2.531 250 HD2 PHE 31 HD2 PHE 31 3.238 -5.673 -1.581 251 HE1 PHE 31 HE1 PHE 31 3.792 -7.892 2.779 252 HE2 PHE 31 HE2 PHE 31 2.732 -8.068 -1.337 253 HZ PHE 31 HZ PHE 31 3.011 -9.178 0.839 254 H LEU 32 HN LEU 32 4.182 -1.211 2.552 255 HA LEU 32 HA LEU 32 4.640 0.575 0.261 256 1HB LEU 32 HB2 LEU 32 4.560 1.902 2.879 257 2HB LEU 32 HB3 LEU 32 3.964 2.423 1.312 258 HG LEU 32 HG LEU 32 2.506 0.542 3.166 259 1HD1 LEU 32 HD11 LEU 32 1.639 3.316 2.479 260 2HD1 LEU 32 HD12 LEU 32 1.227 2.325 3.881 261 3HD1 LEU 32 HD13 LEU 32 2.824 3.069 3.764 262 1HD2 LEU 32 HD21 LEU 32 1.918 0.083 0.911 263 2HD2 LEU 32 HD22 LEU 32 0.614 1.060 1.605 264 3HD2 LEU 32 HD23 LEU 32 1.800 1.801 0.525 265 H PHE 33 HN PHE 33 6.744 0.463 -0.142 266 HA PHE 33 HA PHE 33 8.584 0.637 2.151 267 1HB PHE 33 HB3 PHE 33 8.933 -0.965 -0.395 268 2HB PHE 33 HB2 PHE 33 10.227 -0.669 0.757 269 HD1 PHE 33 HD1 PHE 33 6.861 -2.224 0.456 270 HD2 PHE 33 HD2 PHE 33 10.554 -2.103 2.550 271 HE1 PHE 33 HE1 PHE 33 6.196 -4.212 1.743 272 HE2 PHE 33 HE2 PHE 33 9.903 -4.105 3.812 273 HZ PHE 33 HZ PHE 33 7.717 -5.157 3.421 274 H ARG 34 HN ARG 34 8.954 2.718 2.087 275 HA ARG 34 HA ARG 34 9.943 4.664 1.554 276 1HB ARG 34 HB3 ARG 34 11.029 3.127 -0.799 277 2HB ARG 34 HB2 ARG 34 11.299 4.850 -0.597 278 1HG ARG 34 HG2 ARG 34 12.275 4.304 1.672 279 2HG ARG 34 HG3 ARG 34 12.250 2.616 1.168 280 1HD ARG 34 HD2 ARG 34 14.441 3.697 0.804 281 2HD ARG 34 HD3 ARG 34 13.720 3.103 -0.695 282 HE ARG 34 HE ARG 34 12.916 5.712 -0.523 283 1HH1 ARG 34 HH12 ARG 34 16.448 4.437 -0.900 284 2HH1 ARG 34 HH11 ARG 34 16.584 5.902 0.047 285 1HH2 ARG 34 HH21 ARG 34 14.546 7.697 -1.090 286 2HH2 ARG 34 HH22 ARG 34 14.733 6.906 -2.620 287 H ASN 35 HN ASN 35 10.140 5.429 -1.465 288 HA ASN 35 HA ASN 35 7.456 6.513 -1.443 289 1HB ASN 35 HB2 ASN 35 9.971 7.207 -2.836 290 2HB ASN 35 HB3 ASN 35 8.466 7.616 -3.658 291 1HD2 ASN 35 HD21 ASN 35 7.446 9.348 -3.089 292 2HD2 ASN 35 HD22 ASN 35 7.474 10.095 -1.539 293 H LYS 36 HN LYS 36 6.803 4.152 -1.797 294 HA LYS 36 HA LYS 36 5.531 4.027 -4.289 295 1HB LYS 36 HB3 LYS 36 6.539 2.122 -5.337 296 2HB LYS 36 HB2 LYS 36 7.796 3.321 -5.083 297 1HG LYS 36 HG2 LYS 36 8.892 2.052 -3.544 298 2HG LYS 36 HG3 LYS 36 7.432 1.205 -3.023 299 1HD LYS 36 HD3 LYS 36 8.866 -0.306 -4.267 300 2HD LYS 36 HD2 LYS 36 7.407 0.015 -5.195 301 1HE LYS 36 HE3 LYS 36 8.669 1.789 -6.424 302 2HE LYS 36 HE2 LYS 36 10.123 1.258 -5.589 303 1HZ LYS 36 HZ1 LYS 36 10.392 -0.115 -7.270 304 2HZ LYS 36 HZ2 LYS 36 8.822 0.121 -7.851 305 3HZ LYS 36 HZ3 LYS 36 9.105 -1.025 -6.639 306 H ILE 37 HN ILE 37 4.084 2.241 -4.409 307 HA ILE 37 HA ILE 37 3.788 0.766 -1.851 308 HB ILE 37 HB ILE 37 1.592 1.809 -3.657 309 1HG1 ILE 37 HG13 ILE 37 2.444 2.660 -0.885 310 2HG1 ILE 37 HG12 ILE 37 2.602 3.596 -2.365 311 1HG2 ILE 37 HG21 ILE 37 1.450 -0.443 -2.118 312 2HG2 ILE 37 HG22 ILE 37 0.851 0.790 -1.006 313 3HG2 ILE 37 HG23 ILE 37 0.064 0.560 -2.569 314 1HD1 ILE 37 HD11 ILE 37 -0.145 2.877 -2.010 315 2HD1 ILE 37 HD12 ILE 37 0.481 3.590 -0.524 316 3HD1 ILE 37 HD13 ILE 37 0.596 4.477 -2.042 317 H MET 38 HN MET 38 3.908 -1.385 -2.141 318 HA MET 38 HA MET 38 3.675 -2.464 -4.869 319 1HB MET 38 HB2 MET 38 5.786 -2.843 -3.503 320 2HB MET 38 HB3 MET 38 4.803 -3.823 -2.426 321 1HG MET 38 HG3 MET 38 6.029 -5.215 -3.972 322 2HG MET 38 HG2 MET 38 4.295 -5.357 -4.243 323 1HE MET 38 HE1 MET 38 4.874 -6.579 -6.250 324 2HE MET 38 HE2 MET 38 5.275 -5.874 -7.818 325 3HE MET 38 HE3 MET 38 6.555 -6.250 -6.663 326 H PHE 39 HN PHE 39 2.211 -4.057 -5.355 327 HA PHE 39 HA PHE 39 0.395 -4.919 -3.191 328 1HB PHE 39 HB3 PHE 39 -0.130 -3.508 -5.685 329 2HB PHE 39 HB2 PHE 39 -1.204 -4.867 -5.385 330 HD1 PHE 39 HD1 PHE 39 -2.672 -4.869 -3.446 331 HD2 PHE 39 HD2 PHE 39 -0.186 -1.552 -4.358 332 HE1 PHE 39 HE1 PHE 39 -4.050 -3.444 -1.991 333 HE2 PHE 39 HE2 PHE 39 -1.558 -0.118 -2.908 334 HZ PHE 39 HZ PHE 39 -3.490 -1.062 -1.719 335 H THR 40 HN THR 40 0.778 -7.024 -2.981 336 HA THR 40 HA THR 40 1.193 -8.653 -5.351 337 HB THR 40 HB THR 40 1.077 -9.517 -2.456 338 HG1 THR 40 HG1 THR 40 3.414 -9.480 -2.714 339 1HG2 THR 40 HG21 THR 40 2.438 -11.412 -3.282 340 2HG2 THR 40 HG22 THR 40 2.131 -10.859 -4.929 341 3HG2 THR 40 HG23 THR 40 0.783 -11.382 -3.909 342 H GLU 41 HN GLU 41 -0.304 -9.880 -6.249 343 HA GLU 41 HA GLU 41 -3.033 -9.501 -5.426 344 1HB GLU 41 HB3 GLU 41 -2.535 -9.238 -7.733 345 2HB GLU 41 HB2 GLU 41 -1.736 -10.800 -7.803 346 1HG GLU 41 HG2 GLU 41 -3.656 -11.913 -8.113 347 2HG GLU 41 HG3 GLU 41 -4.547 -10.890 -6.983 348 H GLN 42 HN GLN 42 -4.204 -10.792 -4.307 349 HA GLN 42 HA GLN 42 -3.678 -13.674 -4.334 350 1HB GLN 42 HB2 GLN 42 -2.886 -12.788 -2.168 351 2HB GLN 42 HB3 GLN 42 -4.478 -12.100 -1.862 352 1HG GLN 42 HG2 GLN 42 -4.297 -14.129 -0.633 353 2HG GLN 42 HG3 GLN 42 -5.414 -14.409 -1.964 354 1HE2 GLN 42 HE21 GLN 42 -2.209 -14.217 -2.973 355 2HE2 GLN 42 HE22 GLN 42 -1.991 -15.898 -3.292 356 H ASP 43 HN ASP 43 -5.351 -14.630 -5.227 357 HA ASP 43 HA ASP 43 -7.902 -13.219 -5.259 358 1HB ASP 43 HB3 ASP 43 -6.952 -13.772 -7.436 359 2HB ASP 43 HB2 ASP 43 -6.917 -15.477 -7.000 360 H ALA 44 HN ALA 44 -9.903 -14.472 -5.142 361 HA ALA 44 HA ALA 44 -9.935 -17.074 -3.955 362 1HB ALA 44 HB1 ALA 44 -10.409 -14.665 -2.224 363 2HB ALA 44 HB2 ALA 44 -11.080 -16.243 -1.836 364 3HB ALA 44 HB3 ALA 44 -9.331 -16.029 -1.920 365 H SER 45 HN SER 45 -11.137 -16.017 -6.215 366 HA SER 45 HA SER 45 -13.885 -15.402 -5.519 367 1HB SER 45 HB2 SER 45 -12.825 -14.182 -7.394 368 2HB SER 45 HB3 SER 45 -12.604 -15.706 -8.247 369 HG SER 45 HG SER 45 -14.489 -14.577 -8.947 370 H THR 46 HN THR 46 -12.478 -17.693 -7.860 371 HA THR 46 HA THR 46 -14.283 -19.779 -6.830 372 HB THR 46 HB THR 46 -14.395 -20.516 -9.315 373 HG1 THR 46 HG1 THR 46 -14.273 -17.891 -10.069 374 1HG2 THR 46 HG21 THR 46 -16.412 -19.484 -9.592 375 2HG2 THR 46 HG22 THR 46 -15.855 -17.959 -8.897 376 3HG2 THR 46 HG23 THR 46 -16.196 -19.336 -7.848 377 H SER 47 HN SER 47 -11.836 -19.583 -9.393 378 HA SER 47 HA SER 47 -10.247 -21.608 -7.954 379 1HB SER 47 HB3 SER 47 -10.471 -21.211 -10.953 380 2HB SER 47 HB2 SER 47 -9.374 -22.334 -10.163 381 HG SER 47 HG SER 47 -12.008 -22.616 -10.763 382 HA PRO 48 HA PRO 48 -7.852 -17.721 -8.115 383 1HB PRO 48 HB3 PRO 48 -6.754 -17.981 -5.675 384 2HB PRO 48 HB2 PRO 48 -8.415 -17.430 -5.894 385 1HG PRO 48 HG3 PRO 48 -7.398 -20.154 -5.194 386 2HG PRO 48 HG2 PRO 48 -8.735 -19.240 -4.472 387 1HD PRO 48 HD2 PRO 48 -9.112 -21.188 -6.321 388 2HD PRO 48 HD3 PRO 48 -10.190 -19.781 -6.162 389 HA PRO 49 HA PRO 49 -4.146 -19.998 -9.423 390 1HB PRO 49 HB2 PRO 49 -3.407 -17.511 -10.738 391 2HB PRO 49 HB3 PRO 49 -3.801 -19.077 -11.461 392 1HG PRO 49 HG3 PRO 49 -5.398 -16.896 -11.693 393 2HG PRO 49 HG2 PRO 49 -6.023 -18.554 -11.687 394 1HD PRO 49 HD2 PRO 49 -5.964 -16.543 -9.466 395 2HD PRO 49 HD3 PRO 49 -7.262 -17.664 -9.941 396 H SER 50 HN SER 50 -4.493 -16.868 -7.942 397 HA SER 50 HA SER 50 -3.338 -15.792 -6.320 398 1HB SER 50 HB3 SER 50 -3.024 -18.151 -5.429 399 2HB SER 50 HB2 SER 50 -1.443 -18.148 -6.218 400 HG SER 50 HG SER 50 -0.742 -16.586 -4.854 401 H TYR 51 HN TYR 51 -2.469 -14.073 -7.168 402 HA TYR 51 HA TYR 51 -1.046 -12.581 -8.043 403 1HB TYR 51 HB2 TYR 51 0.466 -13.892 -6.372 404 2HB TYR 51 HB3 TYR 51 1.241 -14.499 -7.832 405 HD1 TYR 51 HD1 TYR 51 3.159 -13.268 -6.433 406 HD2 TYR 51 HD2 TYR 51 0.069 -11.276 -8.580 407 HE1 TYR 51 HE1 TYR 51 4.520 -11.228 -6.498 408 HE2 TYR 51 HE2 TYR 51 1.417 -9.227 -8.635 409 HH TYR 51 HH TYR 51 3.390 -8.274 -7.035 410 H THR 52 HN THR 52 -2.392 -13.551 -10.005 411 HA THR 52 HA THR 52 -0.533 -14.476 -12.065 412 HB THR 52 HB THR 52 -2.994 -14.336 -13.254 413 HG1 THR 52 HG1 THR 52 -4.526 -14.507 -11.811 414 1HG2 THR 52 HG21 THR 52 -2.226 -16.717 -11.609 415 2HG2 THR 52 HG22 THR 52 -1.339 -16.269 -13.064 416 3HG2 THR 52 HG23 THR 52 -3.060 -16.658 -13.164 417 H HIS 53 HN HIS 53 -1.405 -11.693 -10.763 418 HA HIS 53 HA HIS 53 -0.916 -10.186 -13.202 419 1HB HIS 53 HB2 HIS 53 -3.233 -9.982 -13.230 420 2HB HIS 53 HB3 HIS 53 -3.360 -10.007 -11.479 421 HD1 HIS 53 HD1 HIS 53 -3.588 -7.830 -10.313 422 HD2 HIS 53 HD2 HIS 53 -2.358 -7.387 -14.270 423 HE1 HIS 53 HE1 HIS 53 -3.633 -5.353 -10.774 424 HE2 HIS 53 HE2 HIS 53 -2.754 -5.098 -13.119 425 H TYR 54 HN TYR 54 0.655 -8.794 -12.871 426 HA TYR 54 HA TYR 54 1.772 -8.331 -10.281 427 1HB TYR 54 HB3 TYR 54 2.364 -6.920 -12.892 428 2HB TYR 54 HB2 TYR 54 3.393 -6.944 -11.463 429 HD1 TYR 54 HD1 TYR 54 3.851 -9.519 -10.649 430 HD2 TYR 54 HD2 TYR 54 3.085 -8.232 -14.634 431 HE1 TYR 54 HE1 TYR 54 4.977 -11.520 -11.505 432 HE2 TYR 54 HE2 TYR 54 4.186 -10.253 -15.503 433 HH TYR 54 HH TYR 54 4.723 -12.917 -13.878 434 H SER 55 HN SER 55 1.735 -6.433 -9.030 435 HA SER 55 HA SER 55 0.105 -4.218 -10.023 436 1HB SER 55 HB2 SER 55 -0.375 -5.422 -7.303 437 2HB SER 55 HB3 SER 55 -1.342 -4.211 -8.149 438 HG SER 55 HG SER 55 -1.266 -6.182 -9.799 439 H SER 56 HN SER 56 1.169 -2.409 -9.753 440 HA SER 56 HA SER 56 2.728 -2.000 -7.302 441 1HB SER 56 HB2 SER 56 4.186 -2.695 -9.254 442 2HB SER 56 HB3 SER 56 3.710 -1.197 -10.047 443 HG SER 56 HG SER 56 4.886 -0.054 -8.658 444 H ILE 57 HN ILE 57 2.896 0.229 -6.693 445 HA ILE 57 HA ILE 57 1.136 2.062 -8.192 446 HB ILE 57 HB ILE 57 1.096 1.413 -5.257 447 1HG1 ILE 57 HG12 ILE 57 -0.364 0.169 -6.887 448 2HG1 ILE 57 HG13 ILE 57 -1.229 0.969 -5.577 449 1HG2 ILE 57 HG21 ILE 57 -0.782 3.410 -5.587 450 2HG2 ILE 57 HG22 ILE 57 0.767 3.570 -4.768 451 3HG2 ILE 57 HG23 ILE 57 0.624 4.013 -6.474 452 1HD1 ILE 57 HD11 ILE 57 -1.307 1.456 -8.462 453 2HD1 ILE 57 HD12 ILE 57 -2.539 1.689 -7.231 454 3HD1 ILE 57 HD13 ILE 57 -1.270 2.897 -7.454 455 H ARG 58 HN ARG 58 2.222 3.867 -8.719 456 HA ARG 58 HA ARG 58 4.726 4.525 -7.490 457 1HB ARG 58 HB2 ARG 58 4.623 6.604 -8.888 458 2HB ARG 58 HB3 ARG 58 4.459 5.131 -9.821 459 1HG ARG 58 HG3 ARG 58 2.103 5.472 -10.080 460 2HG ARG 58 HG2 ARG 58 2.134 6.823 -8.953 461 1HD ARG 58 HD3 ARG 58 2.038 7.762 -11.112 462 2HD ARG 58 HD2 ARG 58 3.680 7.993 -10.532 463 HE ARG 58 HE ARG 58 3.500 5.631 -12.093 464 1HH1 ARG 58 HH11 ARG 58 3.426 9.193 -12.541 465 2HH1 ARG 58 HH12 ARG 58 4.798 9.035 -13.598 466 1HH2 ARG 58 HH22 ARG 58 5.209 6.516 -14.411 467 2HH2 ARG 58 HH21 ARG 58 3.589 6.628 -15.012 468 H LEU 59 HN LEU 59 4.934 5.555 -5.601 469 HA LEU 59 HA LEU 59 2.619 6.808 -4.421 470 1HB LEU 59 HB2 LEU 59 4.252 5.397 -3.142 471 2HB LEU 59 HB3 LEU 59 5.425 6.686 -3.325 472 HG LEU 59 HG LEU 59 3.879 8.196 -2.079 473 1HD1 LEU 59 HD11 LEU 59 2.191 5.810 -2.284 474 2HD1 LEU 59 HD12 LEU 59 2.263 6.504 -0.667 475 3HD1 LEU 59 HD13 LEU 59 1.738 7.507 -2.033 476 1HD2 LEU 59 HD21 LEU 59 5.731 7.007 -0.974 477 2HD2 LEU 59 HD22 LEU 59 4.354 7.301 0.095 478 3HD2 LEU 59 HD23 LEU 59 4.621 5.691 -0.582 479 H ASP 60 HN ASP 60 4.328 7.878 -6.742 480 HA ASP 60 HA ASP 60 5.097 10.486 -5.818 481 1HB ASP 60 HB2 ASP 60 4.819 9.212 -8.549 482 2HB ASP 60 HB3 ASP 60 5.129 10.933 -8.373 483 H LYS 61 HN LYS 61 3.316 10.529 -8.670 484 HA LYS 61 HA LYS 61 1.178 11.944 -7.272 485 1HB LYS 61 HB3 LYS 61 1.961 12.220 -10.170 486 2HB LYS 61 HB2 LYS 61 0.792 13.208 -9.299 487 1HG LYS 61 HG2 LYS 61 2.859 13.629 -7.708 488 2HG LYS 61 HG3 LYS 61 3.759 13.225 -9.173 489 1HD LYS 61 HD3 LYS 61 3.430 15.629 -8.988 490 2HD LYS 61 HD2 LYS 61 2.554 15.000 -10.387 491 1HE LYS 61 HE3 LYS 61 1.211 16.620 -9.191 492 2HE LYS 61 HE2 LYS 61 0.478 15.025 -9.067 493 1HZ LYS 61 HZ1 LYS 61 1.900 14.991 -6.856 494 2HZ LYS 61 HZ2 LYS 61 0.352 15.675 -6.909 495 3HZ LYS 61 HZ3 LYS 61 1.714 16.668 -6.984 496 H TYR 62 HN TYR 62 -0.373 10.663 -6.833 497 HA TYR 62 HA TYR 62 -1.935 9.592 -9.023 498 1HB TYR 62 HB3 TYR 62 -2.353 7.481 -7.923 499 2HB TYR 62 HB2 TYR 62 -0.611 7.683 -8.041 500 HD1 TYR 62 HD1 TYR 62 -3.464 7.482 -5.756 501 HD2 TYR 62 HD2 TYR 62 0.738 8.057 -6.050 502 HE1 TYR 62 HE1 TYR 62 -3.251 7.092 -3.344 503 HE2 TYR 62 HE2 TYR 62 0.957 7.673 -3.627 504 HH TYR 62 HH TYR 62 -0.229 7.603 -1.659 505 H ASN 63 HN ASN 63 -4.265 9.443 -8.297 506 HA ASN 63 HA ASN 63 -4.745 11.610 -6.428 507 1HB ASN 63 HB3 ASN 63 -5.931 11.265 -8.732 508 2HB ASN 63 HB2 ASN 63 -6.913 10.093 -7.863 509 1HD2 ASN 63 HD21 ASN 63 -5.963 12.514 -5.764 510 2HD2 ASN 63 HD22 ASN 63 -7.434 13.428 -5.795 511 H ILE 64 HN ILE 64 -5.505 11.346 -4.439 512 HA ILE 64 HA ILE 64 -6.556 8.718 -3.692 513 HB ILE 64 HB ILE 64 -4.153 8.730 -3.140 514 1HG1 ILE 64 HG12 ILE 64 -5.923 8.805 -0.692 515 2HG1 ILE 64 HG13 ILE 64 -5.889 7.467 -1.841 516 1HG2 ILE 64 HG21 ILE 64 -3.364 10.148 -1.281 517 2HG2 ILE 64 HG22 ILE 64 -3.821 11.085 -2.703 518 3HG2 ILE 64 HG23 ILE 64 -4.905 11.010 -1.321 519 1HD1 ILE 64 HD11 ILE 64 -4.410 7.652 0.416 520 2HD1 ILE 64 HD12 ILE 64 -4.010 6.647 -0.982 521 3HD1 ILE 64 HD13 ILE 64 -3.279 8.243 -0.805 522 H ARG 65 HN ARG 65 -8.127 8.697 -2.271 523 HA ARG 65 HA ARG 65 -8.717 11.084 -0.682 524 1HB ARG 65 HB3 ARG 65 -10.816 9.584 -2.252 525 2HB ARG 65 HB2 ARG 65 -11.121 10.897 -1.141 526 1HG ARG 65 HG2 ARG 65 -9.584 11.111 -3.724 527 2HG ARG 65 HG3 ARG 65 -11.249 11.642 -3.454 528 1HD ARG 65 HD3 ARG 65 -10.499 13.254 -1.797 529 2HD ARG 65 HD2 ARG 65 -8.845 12.678 -1.953 530 HE ARG 65 HE ARG 65 -9.797 13.570 -4.463 531 1HH1 ARG 65 HH12 ARG 65 -7.305 14.931 -2.195 532 2HH1 ARG 65 HH11 ARG 65 -8.656 15.787 -1.490 533 1HH2 ARG 65 HH21 ARG 65 -9.629 16.170 -4.852 534 2HH2 ARG 65 HH22 ARG 65 -7.915 16.220 -4.555 535 H GLN 66 HN GLN 66 -9.398 10.573 1.314 536 HA GLN 66 HA GLN 66 -9.283 7.736 1.929 537 1HB GLN 66 HB3 GLN 66 -8.918 8.409 4.241 538 2HB GLN 66 HB2 GLN 66 -7.786 9.171 3.139 539 1HG GLN 66 HG2 GLN 66 -10.221 10.686 3.898 540 2HG GLN 66 HG3 GLN 66 -8.930 10.498 5.083 541 1HE2 GLN 66 HE21 GLN 66 -7.404 11.921 5.085 542 2HE2 GLN 66 HE22 GLN 66 -6.975 12.960 3.766 543 H HIS 67 HN HIS 67 -10.746 8.822 4.506 544 HA HIS 67 HA HIS 67 -13.374 9.363 4.135 545 1HB HIS 67 HB3 HIS 67 -12.858 6.597 3.345 546 2HB HIS 67 HB2 HIS 67 -14.056 6.705 4.625 547 HD1 HIS 67 HD1 HIS 67 -16.012 8.665 3.974 548 HD2 HIS 67 HD2 HIS 67 -13.972 6.753 0.890 549 HE1 HIS 67 HE1 HIS 67 -17.403 9.023 1.908 550 HE2 HIS 67 HE2 HIS 67 -16.260 7.667 0.113 551 H THR 68 HN THR 68 -14.435 9.543 6.027 552 HA THR 68 HA THR 68 -13.013 8.575 8.407 553 HB THR 68 HB THR 68 -15.119 10.736 8.372 554 HG1 THR 68 HG1 THR 68 -12.979 10.954 7.007 555 1HG2 THR 68 HG21 THR 68 -14.165 9.656 10.514 556 2HG2 THR 68 HG22 THR 68 -14.299 11.411 10.413 557 3HG2 THR 68 HG23 THR 68 -12.740 10.629 10.164 558 H THR 69 HN THR 69 -16.119 9.695 9.078 559 HA THR 69 HA THR 69 -17.939 8.680 9.968 560 HB THR 69 HB THR 69 -17.831 6.911 7.522 561 HG1 THR 69 HG1 THR 69 -18.266 9.694 7.760 562 1HG2 THR 69 HG21 THR 69 -19.943 6.448 8.020 563 2HG2 THR 69 HG22 THR 69 -20.338 8.168 7.907 564 3HG2 THR 69 HG23 THR 69 -19.844 7.476 9.448 565 H ASP 70 HN ASP 70 -15.985 7.788 11.384 566 HA ASP 70 HA ASP 70 -15.085 6.164 12.659 567 1HB ASP 70 HB2 ASP 70 -17.918 5.213 12.325 568 2HB ASP 70 HB3 ASP 70 -16.787 4.563 13.497 569 H GLU 71 HN GLU 71 -14.746 5.715 9.765 570 HA GLU 71 HA GLU 71 -13.874 2.957 9.944 571 1HB GLU 71 HB3 GLU 71 -15.879 3.890 7.904 572 2HB GLU 71 HB2 GLU 71 -14.775 2.567 7.565 573 1HG GLU 71 HG3 GLU 71 -15.662 1.395 9.562 574 2HG GLU 71 HG2 GLU 71 -16.873 2.671 9.711 575 H ASP 72 HN ASP 72 -11.788 3.519 9.752 576 HA ASP 72 HA ASP 72 -10.780 5.529 8.066 577 1HB ASP 72 HB3 ASP 72 -9.373 3.083 9.154 578 2HB ASP 72 HB2 ASP 72 -8.583 4.509 8.480 579 H THR 73 HN THR 73 -10.454 5.592 5.980 580 HA THR 73 HA THR 73 -10.199 3.100 4.458 581 HB THR 73 HB THR 73 -12.227 5.281 4.186 582 HG1 THR 73 HG1 THR 73 -12.690 3.381 5.403 583 1HG2 THR 73 HG21 THR 73 -11.795 5.228 1.976 584 2HG2 THR 73 HG22 THR 73 -12.928 3.878 2.097 585 3HG2 THR 73 HG23 THR 73 -11.192 3.566 2.007 586 H ILE 74 HN ILE 74 -9.156 3.266 2.448 587 HA ILE 74 HA ILE 74 -7.886 5.830 1.744 588 HB ILE 74 HB ILE 74 -6.482 3.141 1.812 589 1HG1 ILE 74 HG13 ILE 74 -6.745 4.217 4.030 590 2HG1 ILE 74 HG12 ILE 74 -5.059 4.172 3.517 591 1HG2 ILE 74 HG21 ILE 74 -5.193 3.986 0.190 592 2HG2 ILE 74 HG22 ILE 74 -5.944 5.578 0.329 593 3HG2 ILE 74 HG23 ILE 74 -4.603 5.137 1.386 594 1HD1 ILE 74 HD11 ILE 74 -6.836 6.498 3.947 595 2HD1 ILE 74 HD12 ILE 74 -5.098 6.328 4.201 596 3HD1 ILE 74 HD13 ILE 74 -5.734 6.596 2.583 597 H VAL 75 HN VAL 75 -8.940 6.280 -0.098 598 HA VAL 75 HA VAL 75 -9.420 4.156 -2.075 599 HB VAL 75 HB VAL 75 -10.559 6.964 -1.925 600 1HG1 VAL 75 HG21 VAL 75 -10.260 5.916 -4.227 601 2HG1 VAL 75 HG22 VAL 75 -11.513 4.777 -3.741 602 3HG1 VAL 75 HG23 VAL 75 -11.865 6.510 -3.800 603 1HG2 VAL 75 HG11 VAL 75 -11.267 4.724 -0.458 604 2HG2 VAL 75 HG12 VAL 75 -12.255 6.167 -0.710 605 3HG2 VAL 75 HG13 VAL 75 -12.442 4.768 -1.765 606 H LEU 76 HN LEU 76 -8.119 4.020 -3.791 607 HA LEU 76 HA LEU 76 -6.475 6.355 -4.454 608 1HB LEU 76 HB2 LEU 76 -6.067 3.415 -4.923 609 2HB LEU 76 HB3 LEU 76 -5.176 4.610 -5.845 610 HG LEU 76 HG LEU 76 -4.413 5.547 -3.594 611 1HD1 LEU 76 HD11 LEU 76 -5.309 2.839 -2.634 612 2HD1 LEU 76 HD12 LEU 76 -4.447 4.076 -1.704 613 3HD1 LEU 76 HD13 LEU 76 -6.103 4.365 -2.251 614 1HD2 LEU 76 HD21 LEU 76 -3.117 4.052 -5.230 615 2HD2 LEU 76 HD22 LEU 76 -2.521 4.203 -3.578 616 3HD2 LEU 76 HD23 LEU 76 -3.419 2.765 -4.062 617 H GLN 77 HN GLN 77 -6.728 7.414 -6.270 618 HA GLN 77 HA GLN 77 -8.384 6.231 -8.409 619 1HB GLN 77 HB2 GLN 77 -8.291 9.166 -7.646 620 2HB GLN 77 HB3 GLN 77 -9.308 8.441 -8.884 621 1HG GLN 77 HG3 GLN 77 -10.475 7.168 -7.162 622 2HG GLN 77 HG2 GLN 77 -9.461 7.922 -5.932 623 1HE2 GLN 77 HE21 GLN 77 -12.403 7.985 -7.208 624 2HE2 GLN 77 HE22 GLN 77 -12.800 9.673 -7.166 625 HA PRO 78 HA PRO 78 -4.799 7.305 -10.754 626 1HB PRO 78 HB2 PRO 78 -5.605 6.527 -13.176 627 2HB PRO 78 HB3 PRO 78 -5.297 5.386 -11.866 628 1HG PRO 78 HG2 PRO 78 -7.863 6.316 -13.007 629 2HG PRO 78 HG3 PRO 78 -7.459 4.767 -12.253 630 1HD PRO 78 HD2 PRO 78 -8.795 6.967 -11.051 631 2HD PRO 78 HD3 PRO 78 -8.221 5.495 -10.243 632 H GLN 79 HN GLN 79 -3.903 8.900 -11.869 633 HA GLN 79 HA GLN 79 -5.660 10.945 -13.086 634 1HB GLN 79 HB2 GLN 79 -2.763 11.477 -12.829 635 2HB GLN 79 HB3 GLN 79 -4.127 12.543 -12.541 636 1HG GLN 79 HG3 GLN 79 -4.454 11.625 -10.347 637 2HG GLN 79 HG2 GLN 79 -3.228 10.395 -10.651 638 1HE2 GLN 79 HE21 GLN 79 -1.868 12.793 -12.183 639 2HE2 GLN 79 HE22 GLN 79 -1.070 13.660 -10.919 640 H GLU 80 HN GLU 80 -4.058 8.292 -13.668 641 HA GLU 80 HA GLU 80 -3.668 8.806 -16.492 642 1HB GLU 80 HB3 GLU 80 -1.502 9.094 -15.088 643 2HB GLU 80 HB2 GLU 80 -1.553 7.347 -14.928 644 1HG GLU 80 HG3 GLU 80 -0.086 7.796 -16.711 645 2HG GLU 80 HG2 GLU 80 -1.581 7.219 -17.445 646 HA PRO 81 HA PRO 81 -5.756 4.835 -16.605 647 1HB PRO 81 HB3 PRO 81 -4.034 4.134 -18.905 648 2HB PRO 81 HB2 PRO 81 -5.798 4.184 -18.787 649 1HG PRO 81 HG3 PRO 81 -4.400 6.049 -20.115 650 2HG PRO 81 HG2 PRO 81 -5.896 6.418 -19.260 651 1HD PRO 81 HD2 PRO 81 -3.088 7.042 -18.504 652 2HD PRO 81 HD3 PRO 81 -4.579 7.940 -18.165 653 H GLY 82 HN GLY 82 -2.252 4.932 -16.930 654 1HA GLY 82 HA1 GLY 82 -1.888 2.179 -16.107 655 2HA GLY 82 HA2 GLY 82 -0.620 3.374 -16.350 656 H LEU 83 HN LEU 83 -3.437 2.984 -14.274 657 HA LEU 83 HA LEU 83 -2.074 2.809 -11.799 658 1HB LEU 83 HB3 LEU 83 -1.958 5.351 -12.601 659 2HB LEU 83 HB2 LEU 83 -3.628 5.373 -12.087 660 HG LEU 83 HG LEU 83 -2.207 6.287 -10.366 661 1HD1 LEU 83 HD11 LEU 83 -4.167 4.495 -9.962 662 2HD1 LEU 83 HD12 LEU 83 -2.851 3.718 -9.086 663 3HD1 LEU 83 HD13 LEU 83 -3.346 5.362 -8.672 664 1HD2 LEU 83 HD21 LEU 83 -0.395 4.328 -11.156 665 2HD2 LEU 83 HD22 LEU 83 -0.202 5.495 -9.848 666 3HD2 LEU 83 HD23 LEU 83 -0.863 3.896 -9.513 667 HA PRO 84 HA PRO 84 -6.245 1.149 -11.874 668 1HB PRO 84 HB2 PRO 84 -5.622 -0.333 -9.502 669 2HB PRO 84 HB3 PRO 84 -5.863 -0.933 -11.137 670 1HG PRO 84 HG2 PRO 84 -3.455 -0.928 -9.808 671 2HG PRO 84 HG3 PRO 84 -3.620 -0.964 -11.575 672 1HD PRO 84 HD2 PRO 84 -2.961 1.318 -9.767 673 2HD PRO 84 HD3 PRO 84 -2.397 0.987 -11.412 674 H SER 85 HN SER 85 -8.106 1.602 -10.864 675 HA SER 85 HA SER 85 -7.945 3.349 -8.520 676 1HB SER 85 HB3 SER 85 -10.406 3.761 -9.098 677 2HB SER 85 HB2 SER 85 -9.220 4.340 -10.268 678 HG SER 85 HG SER 85 -10.366 1.778 -10.513 679 H PHE 86 HN PHE 86 -8.337 2.451 -6.556 680 HA PHE 86 HA PHE 86 -10.292 0.325 -6.346 681 1HB PHE 86 HB3 PHE 86 -8.830 -1.284 -5.397 682 2HB PHE 86 HB2 PHE 86 -8.059 -0.736 -6.879 683 HD1 PHE 86 HD1 PHE 86 -7.865 -0.903 -3.294 684 HD2 PHE 86 HD2 PHE 86 -6.102 0.721 -6.781 685 HE1 PHE 86 HE1 PHE 86 -5.872 -0.335 -1.997 686 HE2 PHE 86 HE2 PHE 86 -4.065 1.271 -5.502 687 HZ PHE 86 HZ PHE 86 -3.960 0.741 -3.077 688 H ARG 87 HN ARG 87 -10.528 -0.279 -3.910 689 HA ARG 87 HA ARG 87 -9.918 2.095 -2.292 690 1HB ARG 87 HB2 ARG 87 -12.510 0.520 -2.284 691 2HB ARG 87 HB3 ARG 87 -12.128 1.866 -1.226 692 1HG ARG 87 HG3 ARG 87 -13.517 2.806 -2.806 693 2HG ARG 87 HG2 ARG 87 -11.903 3.246 -3.363 694 1HD ARG 87 HD3 ARG 87 -13.292 2.562 -5.215 695 2HD ARG 87 HD2 ARG 87 -11.961 1.430 -4.986 696 HE ARG 87 HE ARG 87 -14.202 0.465 -3.595 697 1HH1 ARG 87 HH11 ARG 87 -13.604 1.384 -6.877 698 2HH1 ARG 87 HH12 ARG 87 -14.456 0.039 -7.555 699 1HH2 ARG 87 HH21 ARG 87 -15.948 -0.862 -4.894 700 2HH2 ARG 87 HH22 ARG 87 -15.045 -1.783 -6.057 701 H ILE 88 HN ILE 88 -8.486 1.395 -0.774 702 HA ILE 88 HA ILE 88 -8.835 -1.298 0.338 703 HB ILE 88 HB ILE 88 -6.663 -0.566 1.630 704 1HG1 ILE 88 HG12 ILE 88 -6.471 1.096 -0.885 705 2HG1 ILE 88 HG13 ILE 88 -6.717 1.746 0.733 706 1HG2 ILE 88 HG21 ILE 88 -6.330 -2.434 0.437 707 2HG2 ILE 88 HG22 ILE 88 -7.104 -1.797 -1.001 708 3HG2 ILE 88 HG23 ILE 88 -5.438 -1.349 -0.634 709 1HD1 ILE 88 HD11 ILE 88 -4.548 1.406 1.333 710 2HD1 ILE 88 HD12 ILE 88 -4.389 -0.030 0.319 711 3HD1 ILE 88 HD13 ILE 88 -4.330 1.573 -0.411 712 H LYS 89 HN LYS 89 -10.046 -1.478 2.092 713 HA LYS 89 HA LYS 89 -9.769 0.560 4.153 714 1HB LYS 89 HB3 LYS 89 -12.145 0.964 4.343 715 2HB LYS 89 HB2 LYS 89 -11.674 1.255 2.670 716 1HG LYS 89 HG2 LYS 89 -12.653 -0.755 1.928 717 2HG LYS 89 HG3 LYS 89 -12.924 -1.315 3.574 718 1HD LYS 89 HD3 LYS 89 -14.154 1.257 2.705 719 2HD LYS 89 HD2 LYS 89 -14.862 -0.250 2.135 720 1HE LYS 89 HE3 LYS 89 -16.082 0.062 4.044 721 2HE LYS 89 HE2 LYS 89 -14.746 -0.897 4.685 722 1HZ LYS 89 HZ1 LYS 89 -13.714 1.057 5.529 723 2HZ LYS 89 HZ2 LYS 89 -15.332 1.059 6.045 724 3HZ LYS 89 HZ3 LYS 89 -14.859 2.069 4.762 725 HA PRO 90 HA PRO 90 -9.630 -3.245 6.428 726 1HB PRO 90 HB2 PRO 90 -9.788 -1.448 8.772 727 2HB PRO 90 HB3 PRO 90 -8.546 -2.622 8.345 728 1HG PRO 90 HG3 PRO 90 -8.098 0.017 8.144 729 2HG PRO 90 HG2 PRO 90 -7.402 -1.148 7.000 730 1HD PRO 90 HD3 PRO 90 -9.763 0.660 6.677 731 2HD PRO 90 HD2 PRO 90 -8.499 0.252 5.506 732 H LYS 91 HN LYS 91 -11.604 -4.003 5.938 733 HA LYS 91 HA LYS 91 -14.074 -2.991 6.261 734 1HB LYS 91 HB2 LYS 91 -13.532 -5.136 5.143 735 2HB LYS 91 HB3 LYS 91 -13.397 -5.896 6.725 736 1HG LYS 91 HG2 LYS 91 -15.747 -5.268 7.172 737 2HG LYS 91 HG3 LYS 91 -15.858 -4.652 5.521 738 1HD LYS 91 HD2 LYS 91 -15.167 -6.969 4.754 739 2HD LYS 91 HD3 LYS 91 -15.412 -7.487 6.424 740 1HE LYS 91 HE3 LYS 91 -17.727 -6.683 6.306 741 2HE LYS 91 HE2 LYS 91 -17.492 -6.306 4.601 742 1HZ LYS 91 HZ1 LYS 91 -17.542 -8.489 4.028 743 2HZ LYS 91 HZ2 LYS 91 -18.466 -8.604 5.441 744 3HZ LYS 91 HZ3 LYS 91 -16.830 -9.015 5.475 745 H ASP 92 HN ASP 92 -12.237 -4.585 8.806 746 HA ASP 92 HA ASP 92 -14.123 -3.497 10.764 747 1HB ASP 92 HB3 ASP 92 -13.328 -6.361 10.457 748 2HB ASP 92 HB2 ASP 92 -13.515 -5.723 12.086 749 H PHE 93 HN PHE 93 -13.016 -3.919 13.060 750 HA PHE 93 HA PHE 93 -10.461 -2.590 12.841 751 1HB PHE 93 HB3 PHE 93 -10.563 -2.189 15.167 752 2HB PHE 93 HB2 PHE 93 -12.232 -2.073 14.631 753 HD1 PHE 93 HD1 PHE 93 -13.406 -4.592 14.686 754 HD2 PHE 93 HD2 PHE 93 -10.314 -3.125 17.223 755 HE1 PHE 93 HE1 PHE 93 -14.078 -6.193 16.424 756 HE2 PHE 93 HE2 PHE 93 -10.968 -4.744 18.951 757 HZ PHE 93 HZ PHE 93 -12.857 -6.278 18.560 758 H GLU 94 HN GLU 94 -8.471 -3.487 13.043 759 HA GLU 94 HA GLU 94 -8.400 -6.388 13.448 760 1HB GLU 94 HB2 GLU 94 -6.306 -6.372 12.247 761 2HB GLU 94 HB3 GLU 94 -7.528 -5.534 11.306 762 1HG GLU 94 HG2 GLU 94 -5.360 -4.232 12.933 763 2HG GLU 94 HG3 GLU 94 -5.356 -4.439 11.185 764 H THR 95 HN THR 95 -6.731 -3.408 14.357 765 HA THR 95 HA THR 95 -5.875 -4.758 16.837 766 HB THR 95 HB THR 95 -4.190 -2.688 15.400 767 HG1 THR 95 HG1 THR 95 -4.128 -5.513 15.166 768 1HG2 THR 95 HG21 THR 95 -3.924 -4.048 17.901 769 2HG2 THR 95 HG22 THR 95 -2.899 -2.800 17.191 770 3HG2 THR 95 HG23 THR 95 -2.607 -4.503 16.822 771 H SER 96 HN SER 96 -8.197 -3.522 16.758 772 HA SER 96 HA SER 96 -9.517 -1.899 17.575 773 1HB SER 96 HB3 SER 96 -8.016 -2.607 19.554 774 2HB SER 96 HB2 SER 96 -7.207 -1.072 19.283 775 HG SER 96 HG SER 96 -9.043 0.019 19.783 776 H GLU 97 HN GLU 97 -8.543 -1.234 15.266 777 HA GLU 97 HA GLU 97 -8.220 0.490 13.789 778 1HB GLU 97 HB3 GLU 97 -10.078 1.391 14.934 779 2HB GLU 97 HB2 GLU 97 -9.064 1.831 16.304 780 1HG GLU 97 HG2 GLU 97 -8.124 3.648 15.123 781 2HG GLU 97 HG3 GLU 97 -8.773 3.071 13.586 782 H TYR 98 HN TYR 98 -6.402 0.580 16.688 783 HA TYR 98 HA TYR 98 -4.821 2.753 16.659 784 1HB TYR 98 HB2 TYR 98 -4.737 0.639 18.148 785 2HB TYR 98 HB3 TYR 98 -3.511 0.086 17.020 786 HD1 TYR 98 HD1 TYR 98 -1.382 1.320 16.798 787 HD2 TYR 98 HD2 TYR 98 -4.311 2.382 19.680 788 HE1 TYR 98 HE1 TYR 98 0.290 2.690 17.972 789 HE2 TYR 98 HE2 TYR 98 -2.643 3.745 20.880 790 HH TYR 98 HH TYR 98 -0.455 4.996 20.215 791 H VAL 99 HN VAL 99 -4.013 -0.181 14.872 792 HA VAL 99 HA VAL 99 -1.848 1.104 13.500 793 HB VAL 99 HB VAL 99 -1.752 -1.287 14.072 794 1HG1 VAL 99 HG11 VAL 99 -3.725 -2.338 13.777 795 2HG1 VAL 99 HG12 VAL 99 -4.157 -1.356 12.381 796 3HG1 VAL 99 HG13 VAL 99 -3.028 -2.687 12.197 797 1HG2 VAL 99 HG21 VAL 99 -0.188 -0.913 12.477 798 2HG2 VAL 99 HG22 VAL 99 -1.234 -2.000 11.558 799 3HG2 VAL 99 HG23 VAL 99 -1.356 -0.251 11.332 800 H ARG 100 HN ARG 100 -5.191 0.527 12.868 801 HA ARG 100 HA ARG 100 -5.185 0.880 10.073 802 1HB ARG 100 HB3 ARG 100 -7.041 -0.135 11.299 803 2HB ARG 100 HB2 ARG 100 -7.331 1.384 12.136 804 1HG ARG 100 HG3 ARG 100 -8.023 2.443 10.129 805 2HG ARG 100 HG2 ARG 100 -7.540 1.047 9.165 806 1HD ARG 100 HD2 ARG 100 -9.873 0.894 9.392 807 2HD ARG 100 HD3 ARG 100 -9.198 -0.292 10.510 808 HE ARG 100 HE ARG 100 -9.751 2.265 11.717 809 1HH1 ARG 100 HH11 ARG 100 -10.851 -1.178 11.598 810 2HH1 ARG 100 HH12 ARG 100 -12.330 -0.490 10.996 811 1HH2 ARG 100 HH22 ARG 100 -11.352 2.134 13.455 812 2HH2 ARG 100 HH21 ARG 100 -12.783 1.274 12.967 813 H LYS 101 HN LYS 101 -5.593 3.106 12.802 814 HA LYS 101 HA LYS 101 -6.141 5.425 11.269 815 1HB LYS 101 HB3 LYS 101 -6.533 5.046 13.764 816 2HB LYS 101 HB2 LYS 101 -4.831 5.428 13.968 817 1HG LYS 101 HG2 LYS 101 -6.034 7.401 14.347 818 2HG LYS 101 HG3 LYS 101 -5.263 7.589 12.787 819 1HD LYS 101 HD3 LYS 101 -7.503 8.415 12.613 820 2HD LYS 101 HD2 LYS 101 -7.440 6.879 11.746 821 1HE LYS 101 HE2 LYS 101 -8.292 5.782 13.844 822 2HE LYS 101 HE3 LYS 101 -8.561 7.398 14.495 823 1HZ LYS 101 HZ1 LYS 101 -10.536 6.359 13.458 824 2HZ LYS 101 HZ2 LYS 101 -9.747 6.426 11.960 825 3HZ LYS 101 HZ3 LYS 101 -10.129 7.857 12.795 826 H ALA 102 HN ALA 102 -3.225 3.858 12.362 827 HA ALA 102 HA ALA 102 -1.355 5.885 11.838 828 1HB ALA 102 HB1 ALA 102 0.209 4.326 12.334 829 2HB ALA 102 HB2 ALA 102 -1.201 3.406 12.889 830 3HB ALA 102 HB3 ALA 102 -0.531 3.107 11.284 831 H TRP 103 HN TRP 103 -2.413 3.141 9.803 832 HA TRP 103 HA TRP 103 -0.957 3.672 7.534 833 1HB TRP 103 HB3 TRP 103 -3.619 2.353 7.928 834 2HB TRP 103 HB2 TRP 103 -3.070 2.700 6.291 835 HD1 TRP 103 HD1 TRP 103 -1.985 0.674 9.416 836 HE1 TRP 103 HE1 TRP 103 -0.419 -1.225 8.649 837 HE3 TRP 103 HE3 TRP 103 -1.653 1.887 4.489 838 HZ2 TRP 103 HZ2 TRP 103 0.824 -2.072 6.195 839 HZ3 TRP 103 HZ3 TRP 103 -0.279 0.523 2.997 840 HH2 TRP 103 HH2 TRP 103 0.961 -1.389 3.815 841 H LEU 104 HN LEU 104 -4.087 5.133 8.393 842 HA LEU 104 HA LEU 104 -4.320 6.598 5.980 843 1HB LEU 104 HB2 LEU 104 -5.601 6.735 8.663 844 2HB LEU 104 HB3 LEU 104 -5.742 8.131 7.611 845 HG LEU 104 HG LEU 104 -6.682 6.649 5.859 846 1HD1 LEU 104 HD11 LEU 104 -5.957 4.479 6.361 847 2HD1 LEU 104 HD12 LEU 104 -6.425 4.614 8.053 848 3HD1 LEU 104 HD13 LEU 104 -7.661 4.457 6.803 849 1HD2 LEU 104 HD21 LEU 104 -8.466 7.644 6.699 850 2HD2 LEU 104 HD22 LEU 104 -8.760 6.142 7.571 851 3HD2 LEU 104 HD23 LEU 104 -7.899 7.462 8.363 852 H ARG 105 HN ARG 105 -3.407 7.641 9.217 853 HA ARG 105 HA ARG 105 -2.634 10.238 8.674 854 1HB ARG 105 HB3 ARG 105 -1.449 8.343 10.705 855 2HB ARG 105 HB2 ARG 105 -1.131 10.072 10.666 856 1HG ARG 105 HG2 ARG 105 -3.509 10.512 11.023 857 2HG ARG 105 HG3 ARG 105 -3.810 8.771 11.086 858 1HD ARG 105 HD2 ARG 105 -3.664 9.607 13.324 859 2HD ARG 105 HD3 ARG 105 -2.242 8.622 12.998 860 HE ARG 105 HE ARG 105 -1.596 11.291 12.424 861 1HH1 ARG 105 HH11 ARG 105 -1.031 9.098 15.200 862 2HH1 ARG 105 HH12 ARG 105 -2.326 9.951 15.992 863 1HH2 ARG 105 HH21 ARG 105 -0.047 12.285 14.033 864 2HH2 ARG 105 HH22 ARG 105 -1.069 12.610 15.398 865 H ASP 106 HN ASP 106 -0.644 7.306 8.452 866 HA ASP 106 HA ASP 106 1.722 8.708 7.654 867 1HB ASP 106 HB3 ASP 106 1.297 6.272 8.664 868 2HB ASP 106 HB2 ASP 106 1.351 5.842 6.959 869 H ILE 107 HN ILE 107 -1.125 8.290 6.061 870 HA ILE 107 HA ILE 107 0.100 8.056 3.396 871 HB ILE 107 HB ILE 107 -2.451 7.189 4.478 872 1HG1 ILE 107 HG13 ILE 107 -2.500 5.822 2.458 873 2HG1 ILE 107 HG12 ILE 107 -1.200 6.782 1.761 874 1HG2 ILE 107 HG21 ILE 107 -2.543 9.053 2.137 875 2HG2 ILE 107 HG22 ILE 107 -3.750 7.789 2.357 876 3HG2 ILE 107 HG23 ILE 107 -3.551 9.044 3.580 877 1HD1 ILE 107 HD11 ILE 107 -1.004 4.473 3.409 878 2HD1 ILE 107 HD12 ILE 107 0.286 5.406 2.655 879 3HD1 ILE 107 HD13 ILE 107 -0.289 5.838 4.263 880 H ALA 108 HN ALA 108 -1.919 10.072 5.425 881 HA ALA 108 HA ALA 108 -2.359 12.169 3.554 882 1HB ALA 108 HB1 ALA 108 -3.910 12.300 5.216 883 2HB ALA 108 HB2 ALA 108 -2.796 11.681 6.435 884 3HB ALA 108 HB3 ALA 108 -2.695 13.373 5.936 885 H GLU 109 HN GLU 109 0.319 11.142 5.326 886 HA GLU 109 HA GLU 109 1.946 13.311 4.410 887 1HB GLU 109 HB3 GLU 109 2.889 13.663 6.791 888 2HB GLU 109 HB2 GLU 109 1.391 14.473 6.362 889 1HG GLU 109 HG3 GLU 109 0.109 12.829 7.536 890 2HG GLU 109 HG2 GLU 109 1.558 11.894 7.892 891 H GLU 110 HN GLU 110 2.726 11.565 3.276 892 HA GLU 110 HA GLU 110 3.710 9.164 4.288 893 1HB GLU 110 HB2 GLU 110 4.966 9.025 2.147 894 2HB GLU 110 HB3 GLU 110 3.277 9.468 1.928 895 1HG GLU 110 HG2 GLU 110 3.822 11.743 1.516 896 2HG GLU 110 HG3 GLU 110 5.487 11.512 2.041 897 H GLN 111 HN GLN 111 5.697 8.439 4.788 898 HA GLN 111 HA GLN 111 7.510 8.653 6.241 899 1HB GLN 111 HB2 GLN 111 8.005 7.951 3.839 900 2HB GLN 111 HB3 GLN 111 8.620 9.581 3.611 901 1HG GLN 111 HG3 GLN 111 10.301 9.220 5.318 902 2HG GLN 111 HG2 GLN 111 9.673 7.598 5.611 903 1HE2 GLN 111 HE21 GLN 111 9.386 8.248 2.380 904 2HE2 GLN 111 HE22 GLN 111 10.898 7.644 1.805 905 H GLU 112 HN GLU 112 7.403 10.257 7.719 906 HA GLU 112 HA GLU 112 7.303 12.894 7.520 907 1HB GLU 112 HB3 GLU 112 8.718 12.903 9.726 908 2HB GLU 112 HB2 GLU 112 7.092 12.254 9.629 909 1HG GLU 112 HG2 GLU 112 8.424 10.795 10.942 910 2HG GLU 112 HG3 GLU 112 7.995 9.998 9.437 911 H LYS 113 HN LYS 113 10.186 11.295 6.460 912 HA LYS 113 HA LYS 113 11.979 13.511 6.812 913 1HB LYS 113 HB2 LYS 113 11.969 11.235 4.824 914 2HB LYS 113 HB3 LYS 113 13.233 12.457 4.873 915 1HG LYS 113 HG2 LYS 113 14.124 10.667 6.057 916 2HG LYS 113 HG3 LYS 113 13.537 11.755 7.320 917 1HD LYS 113 HD3 LYS 113 11.486 10.427 7.471 918 2HD LYS 113 HD2 LYS 113 12.110 9.336 6.247 919 1HE LYS 113 HE2 LYS 113 12.535 8.321 8.359 920 2HE LYS 113 HE3 LYS 113 14.080 8.933 7.771 921 1HZ LYS 113 HZ1 LYS 113 13.799 9.473 10.090 922 2HZ LYS 113 HZ2 LYS 113 12.326 10.259 9.773 923 3HZ LYS 113 HZ3 LYS 113 13.789 10.886 9.183 924 H TYR 114 HN TYR 114 9.456 12.702 4.593 925 HA TYR 114 HA TYR 114 10.077 14.319 2.385 926 1HB TYR 114 HB2 TYR 114 8.403 12.515 2.410 927 2HB TYR 114 HB3 TYR 114 7.383 13.465 3.478 928 HD1 TYR 114 HD1 TYR 114 6.206 15.463 2.592 929 HD2 TYR 114 HD2 TYR 114 8.448 12.877 0.066 930 HE1 TYR 114 HE1 TYR 114 5.042 16.383 0.634 931 HE2 TYR 114 HE2 TYR 114 7.318 13.828 -1.914 932 HH TYR 114 HH TYR 114 4.825 16.355 -1.594 933 H ALA 115 HN ALA 115 7.716 14.967 4.958 934 HA ALA 115 HA ALA 115 6.853 16.870 5.844 935 1HB ALA 115 HB1 ALA 115 9.693 17.043 5.862 936 2HB ALA 115 HB2 ALA 115 9.022 18.667 5.666 937 3HB ALA 115 HB3 ALA 115 8.538 17.663 7.042 938 H ALA 116 HN ALA 116 7.733 19.612 5.290 939 HA ALA 116 HA ALA 116 7.115 21.396 4.030 940 1HB ALA 116 HB1 ALA 116 7.228 21.030 1.493 941 2HB ALA 116 HB2 ALA 116 8.714 20.852 2.435 942 3HB ALA 116 HB3 ALA 116 7.835 19.428 1.899 943 H GLU 117 HN GLU 117 5.038 19.746 5.058 944 HA GLU 117 HA GLU 117 3.041 19.404 3.050 945 1HB GLU 117 HB3 GLU 117 3.071 18.038 5.092 946 2HB GLU 117 HB2 GLU 117 2.759 19.474 6.056 947 1HG GLU 117 HG3 GLU 117 0.599 19.763 4.965 948 2HG GLU 117 HG2 GLU 117 0.897 18.341 3.972 949 H ARG 118 HN ARG 118 2.072 20.989 2.086 950 HA ARG 118 HA ARG 118 0.679 23.025 3.506 951 1HB ARG 118 HB3 ARG 118 3.329 23.648 2.661 952 2HB ARG 118 HB2 ARG 118 2.205 24.512 1.614 953 1HG ARG 118 HG2 ARG 118 1.989 24.568 4.612 954 2HG ARG 118 HG3 ARG 118 2.955 25.730 3.696 955 1HD ARG 118 HD2 ARG 118 1.037 26.557 2.559 956 2HD ARG 118 HD3 ARG 118 0.029 25.245 3.159 957 HE ARG 118 HE ARG 118 0.669 27.695 4.500 958 1HH1 ARG 118 HH11 ARG 118 -1.324 24.738 5.081 959 2HH1 ARG 118 HH12 ARG 118 -0.068 24.314 6.204 960 1HH2 ARG 118 HH22 ARG 118 -0.728 28.029 6.439 961 2HH2 ARG 118 HH21 ARG 118 -0.654 26.704 7.561 962 H ASP 119 HN ASP 119 -0.959 23.800 2.304 963 HA ASP 119 HA ASP 119 -1.052 23.145 -0.554 964 1HB ASP 119 HB3 ASP 119 -2.245 21.441 1.017 965 2HB ASP 119 HB2 ASP 119 -3.416 22.725 1.271 Start of MODEL 22 1 1H MET 1 HT1 MET 1 20.968 -11.701 -5.589 2 2H MET 1 HT2 MET 1 21.946 -10.293 -5.721 3 3H MET 1 HT3 MET 1 20.469 -10.395 -6.589 4 HA MET 1 HA MET 1 20.897 -10.092 -3.706 5 1HB MET 1 HB2 MET 1 20.855 -8.082 -5.107 6 2HB MET 1 HB3 MET 1 19.321 -8.587 -5.800 7 1HG MET 1 HG3 MET 1 18.330 -8.467 -3.521 8 2HG MET 1 HG2 MET 1 19.851 -7.785 -2.953 9 1HE MET 1 HE1 MET 1 17.908 -4.671 -2.665 10 2HE MET 1 HE2 MET 1 16.709 -5.936 -2.939 11 3HE MET 1 HE3 MET 1 18.144 -6.276 -1.973 12 H GLY 2 HN GLY 2 18.253 -10.354 -6.086 13 1HA GLY 2 HA2 GLY 2 16.938 -12.546 -5.346 14 2HA GLY 2 HA1 GLY 2 16.514 -11.453 -4.036 15 H ASP 3 HN ASP 3 14.346 -11.299 -4.551 16 HA ASP 3 HA ASP 3 13.653 -10.323 -7.221 17 1HB ASP 3 HB3 ASP 3 12.061 -11.547 -4.987 18 2HB ASP 3 HB2 ASP 3 11.262 -10.639 -6.268 19 H THR 4 HN THR 4 12.477 -9.593 -3.931 20 HA THR 4 HA THR 4 12.831 -6.744 -4.508 21 HB THR 4 HB THR 4 10.239 -8.045 -3.654 22 HG1 THR 4 HG1 THR 4 11.202 -7.161 -5.983 23 1HG2 THR 4 HG21 THR 4 11.145 -5.248 -3.306 24 2HG2 THR 4 HG22 THR 4 10.041 -6.216 -2.331 25 3HG2 THR 4 HG23 THR 4 9.493 -5.523 -3.857 26 H GLY 5 HN GLY 5 14.116 -6.027 -2.965 27 1HA GLY 5 HA2 GLY 5 14.170 -7.298 -0.342 28 2HA GLY 5 HA1 GLY 5 15.238 -6.018 -0.916 29 H LYS 6 HN LYS 6 12.856 -6.689 1.225 30 HA LYS 6 HA LYS 6 11.290 -4.305 1.013 31 1HB LYS 6 HB2 LYS 6 11.534 -6.331 3.237 32 2HB LYS 6 HB3 LYS 6 10.355 -5.025 3.201 33 1HG LYS 6 HG2 LYS 6 9.316 -5.923 1.237 34 2HG LYS 6 HG3 LYS 6 10.584 -7.142 1.073 35 1HD LYS 6 HD3 LYS 6 9.879 -8.133 3.206 36 2HD LYS 6 HD2 LYS 6 8.589 -6.934 3.321 37 1HE LYS 6 HE3 LYS 6 7.518 -7.793 1.361 38 2HE LYS 6 HE2 LYS 6 8.888 -8.838 1.008 39 1HZ LYS 6 HZ1 LYS 6 8.406 -10.133 2.962 40 2HZ LYS 6 HZ2 LYS 6 7.010 -10.042 2.000 41 3HZ LYS 6 HZ3 LYS 6 7.135 -9.095 3.402 42 H LEU 7 HN LEU 7 13.325 -3.014 0.872 43 HA LEU 7 HA LEU 7 14.070 -2.044 3.549 44 1HB LEU 7 HB2 LEU 7 15.687 -2.206 1.019 45 2HB LEU 7 HB3 LEU 7 16.089 -1.046 2.270 46 HG LEU 7 HG LEU 7 16.181 -3.093 3.846 47 1HD1 LEU 7 HD11 LEU 7 17.104 -4.881 1.849 48 2HD1 LEU 7 HD12 LEU 7 15.779 -5.098 2.994 49 3HD1 LEU 7 HD13 LEU 7 15.465 -4.371 1.419 50 1HD2 LEU 7 HD21 LEU 7 18.090 -1.921 2.046 51 2HD2 LEU 7 HD22 LEU 7 18.306 -2.475 3.701 52 3HD2 LEU 7 HD23 LEU 7 18.488 -3.607 2.359 53 H GLY 8 HN GLY 8 14.808 0.396 3.289 54 1HA GLY 8 HA1 GLY 8 14.194 2.547 2.750 55 2HA GLY 8 HA2 GLY 8 13.562 1.914 1.234 56 H ARG 9 HN ARG 9 12.828 1.635 4.683 57 HA ARG 9 HA ARG 9 10.032 1.277 4.261 58 1HB ARG 9 HB3 ARG 9 11.367 2.092 6.843 59 2HB ARG 9 HB2 ARG 9 9.864 1.204 6.636 60 1HG ARG 9 HG2 ARG 9 11.032 -0.720 5.826 61 2HG ARG 9 HG3 ARG 9 12.561 0.162 5.803 62 1HD ARG 9 HD2 ARG 9 12.624 -1.150 7.749 63 2HD ARG 9 HD3 ARG 9 12.253 0.486 8.294 64 HE ARG 9 HE ARG 9 9.858 -0.919 7.877 65 1HH1 ARG 9 HH11 ARG 9 12.187 -0.247 10.500 66 2HH1 ARG 9 HH12 ARG 9 12.190 -1.958 10.789 67 1HH2 ARG 9 HH21 ARG 9 9.214 -2.691 9.884 68 2HH2 ARG 9 HH22 ARG 9 9.003 -1.278 10.889 69 H ILE 10 HN ILE 10 10.100 3.300 2.833 70 HA ILE 10 HA ILE 10 10.195 5.876 3.905 71 HB ILE 10 HB ILE 10 10.271 5.430 1.487 72 1HG1 ILE 10 HG13 ILE 10 8.654 7.251 0.779 73 2HG1 ILE 10 HG12 ILE 10 8.081 7.273 2.446 74 1HG2 ILE 10 HG21 ILE 10 7.463 5.305 0.932 75 2HG2 ILE 10 HG22 ILE 10 8.757 4.226 0.413 76 3HG2 ILE 10 HG23 ILE 10 7.937 3.951 1.957 77 1HD1 ILE 10 HD11 ILE 10 10.699 8.145 1.333 78 2HD1 ILE 10 HD12 ILE 10 9.605 8.985 2.435 79 3HD1 ILE 10 HD13 ILE 10 10.582 7.636 3.021 80 H ILE 11 HN ILE 11 7.499 3.596 3.676 81 HA ILE 11 HA ILE 11 5.977 5.431 5.390 82 HB ILE 11 HB ILE 11 4.737 3.611 3.311 83 1HG1 ILE 11 HG13 ILE 11 5.042 6.630 3.284 84 2HG1 ILE 11 HG12 ILE 11 5.983 5.510 2.303 85 1HG2 ILE 11 HG21 ILE 11 2.692 4.222 4.091 86 2HG2 ILE 11 HG22 ILE 11 3.581 4.502 5.586 87 3HG2 ILE 11 HG23 ILE 11 3.223 5.848 4.507 88 1HD1 ILE 11 HD11 ILE 11 3.349 6.602 1.832 89 2HD1 ILE 11 HD12 ILE 11 4.437 5.768 0.724 90 3HD1 ILE 11 HD13 ILE 11 3.347 4.842 1.756 91 H ARG 12 HN ARG 12 4.702 2.322 4.489 92 HA ARG 12 HA ARG 12 5.732 0.970 6.836 93 1HB ARG 12 HB2 ARG 12 2.922 2.000 6.713 94 2HB ARG 12 HB3 ARG 12 3.214 0.444 7.472 95 1HG ARG 12 HG3 ARG 12 3.444 1.659 9.324 96 2HG ARG 12 HG2 ARG 12 5.071 1.958 8.714 97 1HD ARG 12 HD3 ARG 12 4.192 4.004 7.585 98 2HD ARG 12 HD2 ARG 12 2.652 3.732 8.403 99 HE ARG 12 HE ARG 12 5.003 4.895 9.513 100 1HH1 ARG 12 HH12 ARG 12 1.728 4.348 10.876 101 2HH1 ARG 12 HH11 ARG 12 2.329 2.831 11.508 102 1HH2 ARG 12 HH21 ARG 12 5.189 4.366 12.292 103 2HH2 ARG 12 HH22 ARG 12 4.051 5.684 12.163 104 H HIS 13 HN HIS 13 4.380 -1.172 7.109 105 HA HIS 13 HA HIS 13 3.661 -2.232 4.475 106 1HB HIS 13 HB2 HIS 13 5.030 -4.153 4.693 107 2HB HIS 13 HB3 HIS 13 6.068 -2.797 5.107 108 HD1 HIS 13 HD1 HIS 13 6.327 -2.441 7.868 109 HD2 HIS 13 HD2 HIS 13 5.038 -6.143 6.477 110 HE1 HIS 13 HE1 HIS 13 6.655 -4.044 9.781 111 HE2 HIS 13 HE2 HIS 13 5.733 -6.236 8.958 112 H ASP 14 HN ASP 14 1.791 -3.384 4.517 113 HA ASP 14 HA ASP 14 1.024 -4.932 6.808 114 1HB ASP 14 HB2 ASP 14 0.424 -2.458 7.322 115 2HB ASP 14 HB3 ASP 14 -0.884 -2.702 6.167 116 H ALA 15 HN ALA 15 -1.905 -4.563 6.041 117 HA ALA 15 HA ALA 15 -2.006 -5.501 3.312 118 1HB ALA 15 HB1 ALA 15 -2.469 -7.692 3.628 119 2HB ALA 15 HB2 ALA 15 -1.469 -7.446 5.055 120 3HB ALA 15 HB3 ALA 15 -3.226 -7.419 5.191 121 H PHE 16 HN PHE 16 -4.102 -5.580 2.448 122 HA PHE 16 HA PHE 16 -6.278 -4.725 4.211 123 1HB PHE 16 HB2 PHE 16 -5.422 -3.324 1.677 124 2HB PHE 16 HB3 PHE 16 -7.060 -3.198 2.304 125 HD1 PHE 16 HD1 PHE 16 -6.873 -2.855 5.071 126 HD2 PHE 16 HD2 PHE 16 -4.249 -1.377 2.070 127 HE1 PHE 16 HE1 PHE 16 -6.228 -1.007 6.555 128 HE2 PHE 16 HE2 PHE 16 -3.582 0.468 3.555 129 HZ PHE 16 HZ PHE 16 -4.579 0.654 5.807 130 H GLN 17 HN GLN 17 -8.285 -5.508 3.601 131 HA GLN 17 HA GLN 17 -8.274 -7.271 1.247 132 1HB GLN 17 HB3 GLN 17 -8.240 -8.599 3.329 133 2HB GLN 17 HB2 GLN 17 -9.671 -7.749 3.900 134 1HG GLN 17 HG2 GLN 17 -10.983 -8.711 2.087 135 2HG GLN 17 HG3 GLN 17 -9.543 -9.532 1.475 136 1HE2 GLN 17 HE21 GLN 17 -9.772 -11.611 1.863 137 2HE2 GLN 17 HE22 GLN 17 -9.989 -12.282 3.442 138 H VAL 18 HN VAL 18 -8.848 -5.010 0.573 139 HA VAL 18 HA VAL 18 -11.619 -4.284 0.967 140 HB VAL 18 HB VAL 18 -9.773 -2.699 1.296 141 1HG1 VAL 18 HG11 VAL 18 -9.151 -3.417 -1.526 142 2HG1 VAL 18 HG12 VAL 18 -8.682 -1.843 -0.877 143 3HG1 VAL 18 HG13 VAL 18 -8.086 -3.323 -0.118 144 1HG2 VAL 18 HG21 VAL 18 -11.044 -1.498 -1.067 145 2HG2 VAL 18 HG22 VAL 18 -12.132 -2.118 0.181 146 3HG2 VAL 18 HG23 VAL 18 -10.916 -0.913 0.588 147 H TRP 19 HN TRP 19 -12.000 -2.939 -1.433 148 HA TRP 19 HA TRP 19 -12.451 -5.116 -3.316 149 1HB TRP 19 HB2 TRP 19 -13.691 -2.357 -3.167 150 2HB TRP 19 HB3 TRP 19 -14.235 -3.699 -4.168 151 HD1 TRP 19 HD1 TRP 19 -15.536 -5.703 -2.945 152 HE1 TRP 19 HE1 TRP 19 -16.845 -5.795 -0.727 153 HE3 TRP 19 HE3 TRP 19 -13.693 -1.438 -0.689 154 HZ2 TRP 19 HZ2 TRP 19 -17.067 -4.285 1.635 155 HZ3 TRP 19 HZ3 TRP 19 -14.527 -0.862 1.537 156 HH2 TRP 19 HH2 TRP 19 -16.173 -2.255 2.683 157 H GLU 20 HN GLU 20 -12.420 -4.494 -5.618 158 HA GLU 20 HA GLU 20 -10.426 -2.430 -6.304 159 1HB GLU 20 HB2 GLU 20 -9.886 -5.088 -6.526 160 2HB GLU 20 HB3 GLU 20 -10.688 -4.822 -8.064 161 1HG GLU 20 HG2 GLU 20 -8.279 -3.275 -7.112 162 2HG GLU 20 HG3 GLU 20 -8.204 -4.681 -8.168 163 H GLY 21 HN GLY 21 -10.859 -1.501 -8.452 164 1HA GLY 21 HA2 GLY 21 -13.030 -0.317 -9.105 165 2HA GLY 21 HA1 GLY 21 -12.209 -1.187 -10.382 166 H ASP 22 HN ASP 22 -13.021 -3.121 -11.134 167 HA ASP 22 HA ASP 22 -15.811 -3.642 -10.333 168 1HB ASP 22 HB2 ASP 22 -15.436 -2.731 -12.696 169 2HB ASP 22 HB3 ASP 22 -14.639 -4.259 -13.052 170 H GLU 23 HN GLU 23 -13.650 -4.625 -8.995 171 HA GLU 23 HA GLU 23 -13.676 -7.490 -9.715 172 1HB GLU 23 HB2 GLU 23 -11.455 -5.880 -8.433 173 2HB GLU 23 HB3 GLU 23 -11.440 -7.627 -8.622 174 1HG GLU 23 HG2 GLU 23 -11.823 -5.949 -11.038 175 2HG GLU 23 HG3 GLU 23 -10.218 -6.038 -10.312 176 HA PRO 24 HA PRO 24 -15.345 -8.075 -5.653 177 1HB PRO 24 HB2 PRO 24 -14.023 -10.634 -5.361 178 2HB PRO 24 HB3 PRO 24 -15.730 -10.303 -5.667 179 1HG PRO 24 HG2 PRO 24 -14.011 -11.445 -7.477 180 2HG PRO 24 HG3 PRO 24 -15.505 -10.598 -7.906 181 1HD PRO 24 HD2 PRO 24 -12.684 -9.687 -8.085 182 2HD PRO 24 HD3 PRO 24 -14.077 -9.271 -9.105 183 HA PRO 25 HA PRO 25 -12.288 -7.038 -2.638 184 1HB PRO 25 HB3 PRO 25 -12.998 -8.534 -0.452 185 2HB PRO 25 HB2 PRO 25 -13.834 -7.056 -0.945 186 1HG PRO 25 HG3 PRO 25 -14.573 -9.912 -1.494 187 2HG PRO 25 HG2 PRO 25 -15.614 -8.565 -0.987 188 1HD PRO 25 HD2 PRO 25 -15.526 -9.351 -3.544 189 2HD PRO 25 HD3 PRO 25 -15.651 -7.632 -3.117 190 H LYS 26 HN LYS 26 -10.284 -7.672 -2.010 191 HA LYS 26 HA LYS 26 -9.620 -10.516 -1.879 192 1HB LYS 26 HB3 LYS 26 -8.075 -8.640 -3.679 193 2HB LYS 26 HB2 LYS 26 -7.760 -10.348 -3.429 194 1HG LYS 26 HG2 LYS 26 -9.965 -10.852 -4.445 195 2HG LYS 26 HG3 LYS 26 -10.135 -9.129 -4.804 196 1HD LYS 26 HD2 LYS 26 -7.962 -9.281 -6.059 197 2HD LYS 26 HD3 LYS 26 -8.066 -11.034 -5.872 198 1HE LYS 26 HE3 LYS 26 -10.139 -9.297 -7.207 199 2HE LYS 26 HE2 LYS 26 -8.929 -10.269 -8.048 200 1HZ LYS 26 HZ1 LYS 26 -9.899 -12.259 -7.013 201 2HZ LYS 26 HZ2 LYS 26 -11.018 -11.425 -7.987 202 3HZ LYS 26 HZ3 LYS 26 -11.104 -11.296 -6.296 203 H LEU 27 HN LEU 27 -7.661 -10.957 -0.800 204 HA LEU 27 HA LEU 27 -6.957 -8.979 1.180 205 1HB LEU 27 HB3 LEU 27 -7.266 -11.322 1.806 206 2HB LEU 27 HB2 LEU 27 -5.990 -11.805 0.708 207 HG LEU 27 HG LEU 27 -4.328 -10.698 2.075 208 1HD1 LEU 27 HD21 LEU 27 -4.743 -9.277 3.787 209 2HD1 LEU 27 HD22 LEU 27 -6.229 -9.000 2.869 210 3HD1 LEU 27 HD23 LEU 27 -6.236 -10.101 4.251 211 1HD2 LEU 27 HD11 LEU 27 -5.874 -12.123 4.152 212 2HD2 LEU 27 HD12 LEU 27 -5.518 -13.016 2.671 213 3HD2 LEU 27 HD13 LEU 27 -4.199 -12.335 3.635 214 H ARG 28 HN ARG 28 -5.967 -7.412 -0.182 215 HA ARG 28 HA ARG 28 -3.507 -8.173 -1.525 216 1HB ARG 28 HB3 ARG 28 -3.498 -5.759 -2.245 217 2HB ARG 28 HB2 ARG 28 -4.876 -6.707 -2.791 218 1HG ARG 28 HG2 ARG 28 -6.058 -5.742 -0.697 219 2HG ARG 28 HG3 ARG 28 -4.772 -4.530 -0.747 220 1HD ARG 28 HD3 ARG 28 -6.765 -3.781 -1.957 221 2HD ARG 28 HD2 ARG 28 -5.383 -3.965 -3.039 222 HE ARG 28 HE ARG 28 -6.816 -6.362 -3.052 223 1HH1 ARG 28 HH12 ARG 28 -7.241 -3.319 -5.306 224 2HH1 ARG 28 HH11 ARG 28 -8.569 -3.230 -4.201 225 1HH2 ARG 28 HH22 ARG 28 -7.747 -6.497 -5.680 226 2HH2 ARG 28 HH21 ARG 28 -9.236 -6.108 -4.855 227 H TYR 29 HN TYR 29 -1.686 -8.231 -0.467 228 HA TYR 29 HA TYR 29 -1.360 -6.891 2.056 229 1HB TYR 29 HB3 TYR 29 0.269 -8.780 0.423 230 2HB TYR 29 HB2 TYR 29 1.094 -7.794 1.628 231 HD1 TYR 29 HD1 TYR 29 -2.182 -9.606 1.563 232 HD2 TYR 29 HD2 TYR 29 1.532 -8.991 3.543 233 HE1 TYR 29 HE1 TYR 29 -2.882 -11.165 3.332 234 HE2 TYR 29 HE2 TYR 29 0.857 -10.557 5.309 235 HH TYR 29 HH TYR 29 -1.809 -11.337 6.161 236 H VAL 30 HN VAL 30 -1.256 -4.820 1.948 237 HA VAL 30 HA VAL 30 0.085 -3.408 -0.177 238 HB VAL 30 HB VAL 30 -1.344 -2.311 2.247 239 1HG1 VAL 30 HG21 VAL 30 -1.412 -0.210 1.037 240 2HG1 VAL 30 HG22 VAL 30 0.262 -0.734 1.230 241 3HG1 VAL 30 HG23 VAL 30 -0.562 -0.941 -0.322 242 1HG2 VAL 30 HG11 VAL 30 -2.305 -2.916 -0.542 243 2HG2 VAL 30 HG12 VAL 30 -2.950 -3.508 0.990 244 3HG2 VAL 30 HG13 VAL 30 -3.150 -1.817 0.549 245 H PHE 31 HN PHE 31 2.211 -3.326 -0.083 246 HA PHE 31 HA PHE 31 3.482 -2.519 2.459 247 1HB PHE 31 HB3 PHE 31 4.786 -3.821 0.045 248 2HB PHE 31 HB2 PHE 31 5.591 -3.381 1.550 249 HD1 PHE 31 HD1 PHE 31 3.125 -5.655 0.042 250 HD2 PHE 31 HD2 PHE 31 5.592 -4.822 3.396 251 HE1 PHE 31 HE1 PHE 31 2.667 -7.899 0.920 252 HE2 PHE 31 HE2 PHE 31 5.142 -7.069 4.298 253 HZ PHE 31 HZ PHE 31 3.679 -8.619 3.060 254 H LEU 32 HN LEU 32 4.300 -0.425 2.444 255 HA LEU 32 HA LEU 32 4.615 0.767 -0.225 256 1HB LEU 32 HB2 LEU 32 4.058 2.445 2.162 257 2HB LEU 32 HB3 LEU 32 3.829 2.794 0.464 258 HG LEU 32 HG LEU 32 2.070 0.952 2.116 259 1HD1 LEU 32 HD11 LEU 32 1.762 3.315 2.670 260 2HD1 LEU 32 HD12 LEU 32 1.553 3.695 0.956 261 3HD1 LEU 32 HD13 LEU 32 0.376 2.676 1.783 262 1HD2 LEU 32 HD21 LEU 32 0.676 0.871 0.144 263 2HD2 LEU 32 HD22 LEU 32 1.815 1.889 -0.740 264 3HD2 LEU 32 HD23 LEU 32 2.291 0.265 -0.224 265 H PHE 33 HN PHE 33 6.662 0.434 -0.420 266 HA PHE 33 HA PHE 33 8.472 1.818 1.420 267 1HB PHE 33 HB3 PHE 33 8.830 -0.904 0.142 268 2HB PHE 33 HB2 PHE 33 10.186 0.023 0.766 269 HD1 PHE 33 HD1 PHE 33 9.676 -2.664 1.684 270 HD2 PHE 33 HD2 PHE 33 8.088 1.027 3.072 271 HE1 PHE 33 HE1 PHE 33 9.347 -3.649 3.915 272 HE2 PHE 33 HE2 PHE 33 7.742 0.048 5.300 273 HZ PHE 33 HZ PHE 33 8.377 -2.294 5.726 274 H ARG 34 HN ARG 34 10.737 1.949 0.188 275 HA ARG 34 HA ARG 34 11.938 2.972 -1.448 276 1HB ARG 34 HB3 ARG 34 9.966 1.662 -3.331 277 2HB ARG 34 HB2 ARG 34 11.558 2.281 -3.752 278 1HG ARG 34 HG3 ARG 34 11.037 -0.012 -1.876 279 2HG ARG 34 HG2 ARG 34 11.500 -0.153 -3.568 280 1HD ARG 34 HD3 ARG 34 13.595 0.978 -3.124 281 2HD ARG 34 HD2 ARG 34 13.143 1.198 -1.435 282 HE ARG 34 HE ARG 34 12.981 -1.525 -1.987 283 1HH1 ARG 34 HH12 ARG 34 15.849 0.293 -2.927 284 2HH1 ARG 34 HH11 ARG 34 16.375 0.344 -1.271 285 1HH2 ARG 34 HH22 ARG 34 14.608 -2.922 -1.220 286 2HH2 ARG 34 HH21 ARG 34 16.249 -2.352 -1.091 287 H ASN 35 HN ASN 35 9.160 3.082 -3.508 288 HA ASN 35 HA ASN 35 8.161 5.621 -2.755 289 1HB ASN 35 HB3 ASN 35 10.479 6.001 -4.016 290 2HB ASN 35 HB2 ASN 35 9.472 5.756 -5.438 291 1HD2 ASN 35 HD21 ASN 35 10.711 8.021 -3.480 292 2HD2 ASN 35 HD22 ASN 35 9.478 9.228 -3.488 293 H LYS 36 HN LYS 36 7.200 3.047 -3.216 294 HA LYS 36 HA LYS 36 5.197 3.604 -5.241 295 1HB LYS 36 HB2 LYS 36 5.517 1.427 -6.363 296 2HB LYS 36 HB3 LYS 36 6.910 2.486 -6.556 297 1HG LYS 36 HG3 LYS 36 8.198 1.249 -5.043 298 2HG LYS 36 HG2 LYS 36 6.793 0.399 -4.407 299 1HD LYS 36 HD3 LYS 36 8.014 -1.099 -5.838 300 2HD LYS 36 HD2 LYS 36 6.502 -0.664 -6.633 301 1HE LYS 36 HE2 LYS 36 7.691 0.995 -7.980 302 2HE LYS 36 HE3 LYS 36 9.209 0.530 -7.206 303 1HZ LYS 36 HZ1 LYS 36 8.158 -0.570 -9.464 304 2HZ LYS 36 HZ2 LYS 36 7.786 -1.712 -8.269 305 3HZ LYS 36 HZ3 LYS 36 9.394 -1.233 -8.514 306 H ILE 37 HN ILE 37 3.417 2.039 -5.157 307 HA ILE 37 HA ILE 37 3.096 0.956 -2.442 308 HB ILE 37 HB ILE 37 1.074 1.722 -4.557 309 1HG1 ILE 37 HG12 ILE 37 1.513 2.679 -1.731 310 2HG1 ILE 37 HG13 ILE 37 1.997 3.533 -3.191 311 1HG2 ILE 37 HG21 ILE 37 0.549 -0.449 -3.290 312 2HG2 ILE 37 HG22 ILE 37 0.290 0.605 -1.896 313 3HG2 ILE 37 HG23 ILE 37 -0.685 0.813 -3.354 314 1HD1 ILE 37 HD11 ILE 37 -0.850 2.826 -2.586 315 2HD1 ILE 37 HD12 ILE 37 -0.090 4.341 -2.091 316 3HD1 ILE 37 HD13 ILE 37 -0.233 3.945 -3.806 317 H MET 38 HN MET 38 3.638 -1.116 -2.335 318 HA MET 38 HA MET 38 3.145 -2.843 -4.657 319 1HB MET 38 HB2 MET 38 4.949 -3.198 -2.257 320 2HB MET 38 HB3 MET 38 4.697 -4.420 -3.494 321 1HG MET 38 HG3 MET 38 5.617 -2.933 -5.181 322 2HG MET 38 HG2 MET 38 5.821 -1.667 -3.974 323 1HE MET 38 HE1 MET 38 7.554 -1.619 -2.144 324 2HE MET 38 HE2 MET 38 7.008 -3.131 -1.422 325 3HE MET 38 HE3 MET 38 8.716 -2.895 -1.786 326 H PHE 39 HN PHE 39 0.979 -3.283 -4.354 327 HA PHE 39 HA PHE 39 0.343 -4.687 -1.861 328 1HB PHE 39 HB2 PHE 39 -1.998 -4.122 -2.156 329 2HB PHE 39 HB3 PHE 39 -1.023 -2.661 -2.197 330 HD1 PHE 39 HD1 PHE 39 -0.319 -1.955 -4.712 331 HD2 PHE 39 HD2 PHE 39 -3.725 -4.260 -3.625 332 HE1 PHE 39 HE1 PHE 39 -1.428 -1.302 -6.806 333 HE2 PHE 39 HE2 PHE 39 -4.851 -3.602 -5.722 334 HZ PHE 39 HZ PHE 39 -3.688 -2.127 -7.316 335 H THR 40 HN THR 40 0.628 -6.757 -2.131 336 HA THR 40 HA THR 40 0.043 -8.015 -4.683 337 HB THR 40 HB THR 40 0.985 -10.064 -3.511 338 HG1 THR 40 HG1 THR 40 2.112 -8.406 -1.588 339 1HG2 THR 40 HG21 THR 40 3.214 -8.341 -3.128 340 2HG2 THR 40 HG22 THR 40 2.310 -7.811 -4.545 341 3HG2 THR 40 HG23 THR 40 2.892 -9.470 -4.442 342 H GLU 41 HN GLU 41 -1.972 -8.540 -5.081 343 HA GLU 41 HA GLU 41 -3.914 -8.914 -3.043 344 1HB GLU 41 HB2 GLU 41 -4.068 -9.412 -6.012 345 2HB GLU 41 HB3 GLU 41 -5.439 -9.392 -4.912 346 1HG GLU 41 HG3 GLU 41 -5.018 -7.076 -4.380 347 2HG GLU 41 HG2 GLU 41 -3.584 -7.080 -5.402 348 H GLN 42 HN GLN 42 -3.889 -10.618 -1.802 349 HA GLN 42 HA GLN 42 -3.240 -13.265 -2.842 350 1HB GLN 42 HB2 GLN 42 -2.443 -12.384 -0.569 351 2HB GLN 42 HB3 GLN 42 -4.106 -12.541 -0.031 352 1HG GLN 42 HG2 GLN 42 -2.504 -14.845 -1.119 353 2HG GLN 42 HG3 GLN 42 -2.566 -14.426 0.592 354 1HE2 GLN 42 HE21 GLN 42 -3.760 -16.468 -1.594 355 2HE2 GLN 42 HE22 GLN 42 -5.384 -16.678 -1.059 356 H ASP 43 HN ASP 43 -4.845 -14.256 -3.884 357 HA ASP 43 HA ASP 43 -7.589 -13.898 -2.863 358 1HB ASP 43 HB2 ASP 43 -6.893 -13.094 -5.249 359 2HB ASP 43 HB3 ASP 43 -6.986 -14.804 -5.659 360 H ALA 44 HN ALA 44 -8.992 -15.763 -2.933 361 HA ALA 44 HA ALA 44 -7.501 -18.200 -2.382 362 1HB ALA 44 HB1 ALA 44 -10.445 -17.695 -2.010 363 2HB ALA 44 HB2 ALA 44 -9.492 -19.022 -1.345 364 3HB ALA 44 HB3 ALA 44 -9.210 -17.368 -0.795 365 H SER 45 HN SER 45 -10.745 -18.006 -3.828 366 HA SER 45 HA SER 45 -9.798 -19.183 -6.293 367 1HB SER 45 HB3 SER 45 -11.636 -20.721 -4.446 368 2HB SER 45 HB2 SER 45 -11.234 -21.192 -6.097 369 HG SER 45 HG SER 45 -9.037 -20.684 -4.530 370 H THR 46 HN THR 46 -12.805 -20.242 -6.335 371 HA THR 46 HA THR 46 -14.730 -19.629 -7.272 372 HB THR 46 HB THR 46 -15.780 -17.478 -6.601 373 HG1 THR 46 HG1 THR 46 -13.232 -17.019 -5.514 374 1HG2 THR 46 HG21 THR 46 -16.023 -17.953 -4.258 375 2HG2 THR 46 HG22 THR 46 -14.585 -18.975 -4.288 376 3HG2 THR 46 HG23 THR 46 -16.027 -19.453 -5.187 377 H SER 47 HN SER 47 -13.269 -16.400 -7.471 378 HA SER 47 HA SER 47 -13.563 -16.543 -10.389 379 1HB SER 47 HB2 SER 47 -13.152 -14.106 -8.626 380 2HB SER 47 HB3 SER 47 -13.584 -14.111 -10.337 381 HG SER 47 HG SER 47 -15.410 -13.783 -8.985 382 HA PRO 48 HA PRO 48 -9.188 -16.542 -11.049 383 1HB PRO 48 HB2 PRO 48 -9.306 -14.045 -12.633 384 2HB PRO 48 HB3 PRO 48 -8.761 -15.656 -13.113 385 1HG PRO 48 HG2 PRO 48 -11.093 -14.639 -13.988 386 2HG PRO 48 HG3 PRO 48 -10.899 -16.372 -13.636 387 1HD PRO 48 HD3 PRO 48 -12.223 -14.233 -12.016 388 2HD PRO 48 HD2 PRO 48 -12.704 -15.928 -12.249 389 HA PRO 49 HA PRO 49 -7.738 -13.729 -7.937 390 1HB PRO 49 HB2 PRO 49 -5.145 -14.428 -7.889 391 2HB PRO 49 HB3 PRO 49 -6.415 -15.503 -7.273 392 1HG PRO 49 HG2 PRO 49 -5.041 -15.523 -9.937 393 2HG PRO 49 HG3 PRO 49 -5.368 -16.886 -8.846 394 1HD PRO 49 HD3 PRO 49 -6.934 -16.339 -10.989 395 2HD PRO 49 HD2 PRO 49 -7.587 -17.028 -9.489 396 H SER 50 HN SER 50 -5.644 -12.343 -7.655 397 HA SER 50 HA SER 50 -4.875 -11.011 -10.140 398 1HB SER 50 HB2 SER 50 -6.884 -9.839 -9.199 399 2HB SER 50 HB3 SER 50 -5.956 -9.511 -7.742 400 HG SER 50 HG SER 50 -4.986 -7.928 -8.717 401 H TYR 51 HN TYR 51 -3.270 -12.705 -8.672 402 HA TYR 51 HA TYR 51 -1.634 -10.996 -6.962 403 1HB TYR 51 HB3 TYR 51 -2.058 -13.191 -6.071 404 2HB TYR 51 HB2 TYR 51 -1.496 -13.960 -7.553 405 HD1 TYR 51 HD1 TYR 51 -0.106 -11.366 -5.226 406 HD2 TYR 51 HD2 TYR 51 0.513 -15.046 -7.273 407 HE1 TYR 51 HE1 TYR 51 2.164 -11.499 -4.295 408 HE2 TYR 51 HE2 TYR 51 2.781 -15.187 -6.341 409 HH TYR 51 HH TYR 51 3.935 -12.870 -3.952 410 H THR 52 HN THR 52 -1.008 -13.323 -9.578 411 HA THR 52 HA THR 52 0.460 -13.349 -11.294 412 HB THR 52 HB THR 52 0.566 -10.348 -10.965 413 HG1 THR 52 HG1 THR 52 -1.552 -11.813 -11.410 414 1HG2 THR 52 HG21 THR 52 1.148 -12.182 -13.257 415 2HG2 THR 52 HG22 THR 52 2.146 -10.893 -12.582 416 3HG2 THR 52 HG23 THR 52 0.698 -10.492 -13.507 417 H HIS 53 HN HIS 53 1.980 -10.463 -9.931 418 HA HIS 53 HA HIS 53 4.019 -12.088 -8.649 419 1HB HIS 53 HB3 HIS 53 4.640 -10.122 -10.859 420 2HB HIS 53 HB2 HIS 53 5.849 -10.717 -9.724 421 HD1 HIS 53 HD1 HIS 53 4.162 -11.560 -12.863 422 HD2 HIS 53 HD2 HIS 53 6.293 -13.573 -9.917 423 HE1 HIS 53 HE1 HIS 53 4.701 -13.815 -13.835 424 HE2 HIS 53 HE2 HIS 53 5.798 -15.086 -11.956 425 H TYR 54 HN TYR 54 4.268 -8.674 -9.553 426 HA TYR 54 HA TYR 54 3.553 -7.924 -6.808 427 1HB TYR 54 HB3 TYR 54 6.106 -7.068 -8.197 428 2HB TYR 54 HB2 TYR 54 5.527 -6.425 -6.665 429 HD1 TYR 54 HD1 TYR 54 5.007 -8.363 -4.858 430 HD2 TYR 54 HD2 TYR 54 7.758 -8.672 -8.094 431 HE1 TYR 54 HE1 TYR 54 6.212 -10.140 -3.660 432 HE2 TYR 54 HE2 TYR 54 8.976 -10.440 -6.893 433 HH TYR 54 HH TYR 54 8.607 -12.084 -5.161 434 H SER 55 HN SER 55 1.965 -6.484 -7.014 435 HA SER 55 HA SER 55 1.676 -4.883 -9.396 436 1HB SER 55 HB2 SER 55 0.100 -4.720 -6.813 437 2HB SER 55 HB3 SER 55 -0.376 -4.088 -8.387 438 HG SER 55 HG SER 55 -1.425 -6.003 -8.195 439 H SER 56 HN SER 56 2.067 -2.654 -9.549 440 HA SER 56 HA SER 56 3.157 -1.374 -7.135 441 1HB SER 56 HB3 SER 56 5.078 -2.126 -8.379 442 2HB SER 56 HB2 SER 56 4.440 -1.431 -9.867 443 HG SER 56 HG SER 56 5.534 0.269 -9.314 444 H ILE 57 HN ILE 57 2.681 0.705 -6.842 445 HA ILE 57 HA ILE 57 1.333 2.206 -8.992 446 HB ILE 57 HB ILE 57 0.523 1.947 -6.112 447 1HG1 ILE 57 HG12 ILE 57 -0.910 1.624 -8.745 448 2HG1 ILE 57 HG13 ILE 57 -0.534 0.366 -7.567 449 1HG2 ILE 57 HG21 ILE 57 -1.212 3.798 -6.956 450 2HG2 ILE 57 HG22 ILE 57 0.301 4.208 -6.155 451 3HG2 ILE 57 HG23 ILE 57 0.189 4.272 -7.908 452 1HD1 ILE 57 HD11 ILE 57 -2.413 2.667 -7.119 453 2HD1 ILE 57 HD12 ILE 57 -2.889 1.017 -7.517 454 3HD1 ILE 57 HD13 ILE 57 -2.070 1.360 -5.985 455 H ARG 58 HN ARG 58 2.238 4.154 -9.361 456 HA ARG 58 HA ARG 58 4.614 4.947 -8.122 457 1HB ARG 58 HB3 ARG 58 3.282 5.700 -10.369 458 2HB ARG 58 HB2 ARG 58 3.011 7.095 -9.329 459 1HG ARG 58 HG2 ARG 58 5.715 6.479 -9.053 460 2HG ARG 58 HG3 ARG 58 5.365 6.343 -10.778 461 1HD ARG 58 HD3 ARG 58 4.245 8.595 -10.604 462 2HD ARG 58 HD2 ARG 58 4.906 8.709 -8.975 463 HE ARG 58 HE ARG 58 6.256 9.358 -11.317 464 1HH1 ARG 58 HH12 ARG 58 7.934 8.483 -7.999 465 2HH1 ARG 58 HH11 ARG 58 7.714 6.939 -8.770 466 1HH2 ARG 58 HH21 ARG 58 8.841 8.758 -11.502 467 2HH2 ARG 58 HH22 ARG 58 9.113 9.796 -10.128 468 H LEU 59 HN LEU 59 5.075 6.152 -6.397 469 HA LEU 59 HA LEU 59 2.846 7.233 -4.817 470 1HB LEU 59 HB2 LEU 59 5.602 6.276 -4.149 471 2HB LEU 59 HB3 LEU 59 4.836 7.445 -3.097 472 HG LEU 59 HG LEU 59 3.761 4.702 -3.747 473 1HD1 LEU 59 HD21 LEU 59 4.729 5.642 -1.080 474 2HD1 LEU 59 HD22 LEU 59 4.538 3.992 -1.687 475 3HD1 LEU 59 HD23 LEU 59 5.864 5.004 -2.274 476 1HD2 LEU 59 HD11 LEU 59 2.694 6.102 -1.434 477 2HD2 LEU 59 HD12 LEU 59 2.343 6.919 -2.955 478 3HD2 LEU 59 HD13 LEU 59 1.864 5.242 -2.727 479 H ASP 60 HN ASP 60 3.529 8.831 -7.020 480 HA ASP 60 HA ASP 60 4.711 11.099 -5.608 481 1HB ASP 60 HB3 ASP 60 6.514 10.030 -6.908 482 2HB ASP 60 HB2 ASP 60 5.572 10.265 -8.378 483 H LYS 61 HN LYS 61 2.878 10.046 -8.487 484 HA LYS 61 HA LYS 61 1.575 12.671 -8.387 485 1HB LYS 61 HB3 LYS 61 2.650 11.282 -10.819 486 2HB LYS 61 HB2 LYS 61 1.429 12.543 -10.926 487 1HG LYS 61 HG2 LYS 61 4.045 12.929 -9.513 488 2HG LYS 61 HG3 LYS 61 3.830 13.273 -11.233 489 1HD LYS 61 HD3 LYS 61 2.331 15.019 -10.805 490 2HD LYS 61 HD2 LYS 61 2.026 14.469 -9.152 491 1HE LYS 61 HE2 LYS 61 4.643 15.591 -10.154 492 2HE LYS 61 HE3 LYS 61 3.428 16.493 -9.248 493 1HZ LYS 61 HZ1 LYS 61 5.218 15.659 -7.827 494 2HZ LYS 61 HZ2 LYS 61 4.827 14.065 -8.253 495 3HZ LYS 61 HZ3 LYS 61 3.711 15.015 -7.390 496 H TYR 62 HN TYR 62 0.441 10.674 -7.105 497 HA TYR 62 HA TYR 62 -1.791 9.859 -8.855 498 1HB TYR 62 HB3 TYR 62 -2.040 7.816 -7.624 499 2HB TYR 62 HB2 TYR 62 -0.328 7.946 -8.012 500 HD1 TYR 62 HD1 TYR 62 -2.655 7.322 -5.424 501 HD2 TYR 62 HD2 TYR 62 1.164 9.028 -6.186 502 HE1 TYR 62 HE1 TYR 62 -2.100 7.121 -3.028 503 HE2 TYR 62 HE2 TYR 62 1.742 8.818 -3.808 504 HH TYR 62 HH TYR 62 0.334 8.741 -1.578 505 H ASN 63 HN ASN 63 -3.865 10.254 -8.004 506 HA ASN 63 HA ASN 63 -3.856 12.145 -5.786 507 1HB ASN 63 HB2 ASN 63 -6.039 11.311 -7.707 508 2HB ASN 63 HB3 ASN 63 -6.277 12.454 -6.392 509 1HD2 ASN 63 HD21 ASN 63 -3.292 13.161 -7.102 510 2HD2 ASN 63 HD22 ASN 63 -3.576 14.466 -8.190 511 H ILE 64 HN ILE 64 -3.640 11.063 -3.935 512 HA ILE 64 HA ILE 64 -5.307 8.721 -3.448 513 HB ILE 64 HB ILE 64 -2.856 8.669 -2.991 514 1HG1 ILE 64 HG13 ILE 64 -4.687 7.255 -1.790 515 2HG1 ILE 64 HG12 ILE 64 -3.022 7.217 -1.217 516 1HG2 ILE 64 HG21 ILE 64 -2.272 10.735 -2.137 517 2HG2 ILE 64 HG22 ILE 64 -3.569 10.718 -0.943 518 3HG2 ILE 64 HG23 ILE 64 -2.175 9.660 -0.742 519 1HD1 ILE 64 HD11 ILE 64 -3.954 9.166 0.326 520 2HD1 ILE 64 HD12 ILE 64 -5.442 8.248 0.081 521 3HD1 ILE 64 HD13 ILE 64 -4.015 7.457 0.758 522 H ARG 65 HN ARG 65 -7.133 8.853 -2.417 523 HA ARG 65 HA ARG 65 -7.637 11.233 -0.768 524 1HB ARG 65 HB3 ARG 65 -9.667 9.493 -2.181 525 2HB ARG 65 HB2 ARG 65 -10.000 10.972 -1.286 526 1HG ARG 65 HG2 ARG 65 -8.542 10.656 -3.887 527 2HG ARG 65 HG3 ARG 65 -10.037 11.542 -3.561 528 1HD ARG 65 HD2 ARG 65 -8.843 13.175 -2.261 529 2HD ARG 65 HD3 ARG 65 -7.353 12.237 -2.379 530 HE ARG 65 HE ARG 65 -8.432 13.020 -4.933 531 1HH1 ARG 65 HH12 ARG 65 -6.318 14.416 -2.281 532 2HH1 ARG 65 HH11 ARG 65 -5.116 13.849 -3.406 533 1HH2 ARG 65 HH21 ARG 65 -7.464 14.787 -6.036 534 2HH2 ARG 65 HH22 ARG 65 -5.925 15.355 -5.452 535 H GLN 66 HN GLN 66 -9.232 10.918 0.973 536 HA GLN 66 HA GLN 66 -9.430 8.265 2.106 537 1HB GLN 66 HB3 GLN 66 -7.343 8.684 3.052 538 2HB GLN 66 HB2 GLN 66 -7.623 10.414 3.156 539 1HG GLN 66 HG3 GLN 66 -9.288 8.708 4.890 540 2HG GLN 66 HG2 GLN 66 -7.568 8.807 5.272 541 1HE2 GLN 66 HE21 GLN 66 -10.065 9.863 6.531 542 2HE2 GLN 66 HE22 GLN 66 -9.502 11.419 7.027 543 H HIS 67 HN HIS 67 -11.510 8.155 2.585 544 HA HIS 67 HA HIS 67 -12.895 10.583 3.521 545 1HB HIS 67 HB3 HIS 67 -14.050 8.189 2.099 546 2HB HIS 67 HB2 HIS 67 -14.938 9.625 2.590 547 HD1 HIS 67 HD1 HIS 67 -13.584 11.939 1.505 548 HD2 HIS 67 HD2 HIS 67 -13.485 8.301 -0.489 549 HE1 HIS 67 HE1 HIS 67 -13.019 12.494 -0.887 550 HE2 HIS 67 HE2 HIS 67 -13.087 10.287 -2.110 551 H THR 68 HN THR 68 -13.826 10.550 5.475 552 HA THR 68 HA THR 68 -13.779 8.012 6.927 553 HB THR 68 HB THR 68 -14.220 10.760 8.088 554 HG1 THR 68 HG1 THR 68 -11.840 9.449 7.346 555 1HG2 THR 68 HG21 THR 68 -13.884 8.095 9.205 556 2HG2 THR 68 HG22 THR 68 -14.532 9.565 9.932 557 3HG2 THR 68 HG23 THR 68 -12.791 9.301 9.885 558 H THR 69 HN THR 69 -15.729 7.004 6.342 559 HA THR 69 HA THR 69 -18.185 8.508 6.642 560 HB THR 69 HB THR 69 -17.798 5.574 5.965 561 HG1 THR 69 HG1 THR 69 -17.662 7.878 4.411 562 1HG2 THR 69 HG21 THR 69 -19.990 5.446 5.339 563 2HG2 THR 69 HG22 THR 69 -20.123 7.182 5.058 564 3HG2 THR 69 HG23 THR 69 -20.115 6.553 6.705 565 H ASP 70 HN ASP 70 -18.183 5.150 7.739 566 HA ASP 70 HA ASP 70 -18.674 6.102 10.444 567 1HB ASP 70 HB2 ASP 70 -20.168 4.364 9.523 568 2HB ASP 70 HB3 ASP 70 -18.785 3.316 9.241 569 H GLU 71 HN GLU 71 -16.437 4.493 8.408 570 HA GLU 71 HA GLU 71 -14.355 4.607 10.456 571 1HB GLU 71 HB3 GLU 71 -15.200 2.232 8.864 572 2HB GLU 71 HB2 GLU 71 -13.468 2.503 9.024 573 1HG GLU 71 HG3 GLU 71 -15.422 2.227 11.293 574 2HG GLU 71 HG2 GLU 71 -14.303 0.986 10.725 575 H ASP 72 HN ASP 72 -12.266 5.050 9.551 576 HA ASP 72 HA ASP 72 -12.393 6.770 7.309 577 1HB ASP 72 HB2 ASP 72 -10.697 6.579 9.379 578 2HB ASP 72 HB3 ASP 72 -9.744 5.734 8.161 579 H THR 73 HN THR 73 -12.347 6.295 5.237 580 HA THR 73 HA THR 73 -11.262 3.688 4.373 581 HB THR 73 HB THR 73 -13.503 5.362 3.224 582 HG1 THR 73 HG1 THR 73 -13.712 4.055 5.283 583 1HG2 THR 73 HG21 THR 73 -12.108 3.767 1.672 584 2HG2 THR 73 HG22 THR 73 -13.869 3.848 1.572 585 3HG2 THR 73 HG23 THR 73 -13.095 2.527 2.452 586 H ILE 74 HN ILE 74 -9.626 3.715 2.886 587 HA ILE 74 HA ILE 74 -8.811 6.300 1.793 588 HB ILE 74 HB ILE 74 -7.405 3.648 1.453 589 1HG1 ILE 74 HG12 ILE 74 -7.583 4.005 3.823 590 2HG1 ILE 74 HG13 ILE 74 -5.940 4.389 3.333 591 1HG2 ILE 74 HG21 ILE 74 -6.840 5.616 -0.047 592 2HG2 ILE 74 HG22 ILE 74 -6.190 6.395 1.396 593 3HG2 ILE 74 HG23 ILE 74 -5.498 4.876 0.829 594 1HD1 ILE 74 HD11 ILE 74 -8.128 6.226 4.190 595 2HD1 ILE 74 HD12 ILE 74 -6.481 6.082 4.812 596 3HD1 ILE 74 HD13 ILE 74 -6.766 6.817 3.232 597 H VAL 75 HN VAL 75 -8.597 6.706 -0.385 598 HA VAL 75 HA VAL 75 -9.620 4.721 -2.298 599 HB VAL 75 HB VAL 75 -10.583 7.583 -2.061 600 1HG1 VAL 75 HG21 VAL 75 -11.177 5.590 -4.236 601 2HG1 VAL 75 HG22 VAL 75 -11.915 7.185 -4.061 602 3HG1 VAL 75 HG23 VAL 75 -10.190 7.047 -4.400 603 1HG2 VAL 75 HG11 VAL 75 -11.958 6.438 -0.646 604 2HG2 VAL 75 HG12 VAL 75 -12.833 6.242 -2.162 605 3HG2 VAL 75 HG13 VAL 75 -11.820 4.928 -1.545 606 H LEU 76 HN LEU 76 -8.531 4.843 -4.317 607 HA LEU 76 HA LEU 76 -6.505 6.976 -4.472 608 1HB LEU 76 HB2 LEU 76 -6.118 4.149 -5.446 609 2HB LEU 76 HB3 LEU 76 -4.925 5.439 -5.435 610 HG LEU 76 HG LEU 76 -5.376 5.375 -2.830 611 1HD1 LEU 76 HD11 LEU 76 -6.490 2.814 -3.845 612 2HD1 LEU 76 HD12 LEU 76 -5.528 2.776 -2.361 613 3HD1 LEU 76 HD13 LEU 76 -6.967 3.794 -2.453 614 1HD2 LEU 76 HD21 LEU 76 -3.606 3.437 -2.817 615 2HD2 LEU 76 HD22 LEU 76 -3.592 3.745 -4.553 616 3HD2 LEU 76 HD23 LEU 76 -3.203 5.041 -3.424 617 H GLN 77 HN GLN 77 -6.523 8.169 -6.213 618 HA GLN 77 HA GLN 77 -7.932 7.185 -8.602 619 1HB GLN 77 HB2 GLN 77 -7.536 10.012 -7.594 620 2HB GLN 77 HB3 GLN 77 -8.194 9.620 -9.180 621 1HG GLN 77 HG2 GLN 77 -10.005 8.342 -8.035 622 2HG GLN 77 HG3 GLN 77 -9.398 8.954 -6.497 623 1HE2 GLN 77 HE21 GLN 77 -10.763 10.410 -5.794 624 2HE2 GLN 77 HE22 GLN 77 -11.616 11.563 -6.761 625 HA PRO 78 HA PRO 78 -3.741 7.105 -10.097 626 1HB PRO 78 HB2 PRO 78 -4.270 5.770 -12.367 627 2HB PRO 78 HB3 PRO 78 -4.300 4.982 -10.785 628 1HG PRO 78 HG2 PRO 78 -6.585 6.044 -12.414 629 2HG PRO 78 HG3 PRO 78 -6.443 4.483 -11.582 630 1HD PRO 78 HD3 PRO 78 -7.787 6.573 -10.519 631 2HD PRO 78 HD2 PRO 78 -6.901 5.401 -9.515 632 H GLN 79 HN GLN 79 -2.500 7.767 -11.824 633 HA GLN 79 HA GLN 79 -3.559 10.026 -13.347 634 1HB GLN 79 HB3 GLN 79 -1.079 10.116 -14.144 635 2HB GLN 79 HB2 GLN 79 -1.459 10.607 -12.499 636 1HG GLN 79 HG3 GLN 79 -0.703 8.486 -11.643 637 2HG GLN 79 HG2 GLN 79 -0.429 7.887 -13.274 638 1HE2 GLN 79 HE21 GLN 79 0.434 11.031 -13.388 639 2HE2 GLN 79 HE22 GLN 79 2.135 10.850 -13.127 640 H GLU 80 HN GLU 80 -3.596 6.881 -13.519 641 HA GLU 80 HA GLU 80 -3.925 5.270 -14.942 642 1HB GLU 80 HB3 GLU 80 -5.699 6.964 -15.438 643 2HB GLU 80 HB2 GLU 80 -4.779 7.387 -16.863 644 1HG GLU 80 HG2 GLU 80 -5.146 5.310 -17.870 645 2HG GLU 80 HG3 GLU 80 -5.681 4.580 -16.356 646 HA PRO 81 HA PRO 81 -0.370 5.343 -17.902 647 1HB PRO 81 HB2 PRO 81 1.831 5.745 -16.462 648 2HB PRO 81 HB3 PRO 81 0.790 7.129 -16.831 649 1HG PRO 81 HG2 PRO 81 1.220 5.743 -14.257 650 2HG PRO 81 HG3 PRO 81 0.581 7.366 -14.556 651 1HD PRO 81 HD2 PRO 81 -0.875 4.846 -14.146 652 2HD PRO 81 HD3 PRO 81 -1.500 6.513 -14.111 653 H GLY 82 HN GLY 82 -1.855 3.473 -16.345 654 1HA GLY 82 HA2 GLY 82 -1.646 1.091 -16.110 655 2HA GLY 82 HA1 GLY 82 0.095 1.320 -15.814 656 H LEU 83 HN LEU 83 -2.916 0.938 -14.255 657 HA LEU 83 HA LEU 83 -2.170 1.071 -11.657 658 1HB LEU 83 HB3 LEU 83 -1.571 3.536 -12.499 659 2HB LEU 83 HB2 LEU 83 -3.279 3.800 -12.229 660 HG LEU 83 HG LEU 83 -1.399 2.815 -10.092 661 1HD1 LEU 83 HD21 LEU 83 -1.705 5.230 -9.289 662 2HD1 LEU 83 HD22 LEU 83 -0.555 4.928 -10.589 663 3HD1 LEU 83 HD23 LEU 83 -2.149 5.583 -10.960 664 1HD2 LEU 83 HD11 LEU 83 -3.427 2.340 -9.226 665 2HD2 LEU 83 HD12 LEU 83 -3.364 4.048 -8.799 666 3HD2 LEU 83 HD13 LEU 83 -4.262 3.523 -10.227 667 HA PRO 84 HA PRO 84 -6.583 0.277 -12.049 668 1HB PRO 84 HB2 PRO 84 -6.908 -1.073 -9.716 669 2HB PRO 84 HB3 PRO 84 -6.193 -1.808 -11.159 670 1HG PRO 84 HG2 PRO 84 -4.888 -0.853 -8.673 671 2HG PRO 84 HG3 PRO 84 -4.411 -2.157 -9.775 672 1HD PRO 84 HD2 PRO 84 -3.303 0.420 -9.682 673 2HD PRO 84 HD3 PRO 84 -3.085 -0.771 -10.974 674 H SER 85 HN SER 85 -8.456 1.199 -11.215 675 HA SER 85 HA SER 85 -8.036 3.296 -9.211 676 1HB SER 85 HB3 SER 85 -10.486 2.774 -10.905 677 2HB SER 85 HB2 SER 85 -10.152 4.201 -9.931 678 HG SER 85 HG SER 85 -8.608 3.358 -12.169 679 H PHE 86 HN PHE 86 -8.212 2.469 -7.236 680 HA PHE 86 HA PHE 86 -10.659 1.009 -6.627 681 1HB PHE 86 HB2 PHE 86 -9.520 -0.700 -5.389 682 2HB PHE 86 HB3 PHE 86 -8.845 -0.642 -7.010 683 HD1 PHE 86 HD1 PHE 86 -6.716 1.185 -7.061 684 HD2 PHE 86 HD2 PHE 86 -8.033 -1.176 -3.768 685 HE1 PHE 86 HE1 PHE 86 -4.472 1.311 -6.069 686 HE2 PHE 86 HE2 PHE 86 -5.790 -1.048 -2.779 687 HZ PHE 86 HZ PHE 86 -4.008 0.194 -3.927 688 H ARG 87 HN ARG 87 -9.883 0.346 -4.038 689 HA ARG 87 HA ARG 87 -9.308 2.787 -2.600 690 1HB ARG 87 HB3 ARG 87 -11.428 2.174 -1.126 691 2HB ARG 87 HB2 ARG 87 -11.587 3.221 -2.535 692 1HG ARG 87 HG2 ARG 87 -11.930 0.476 -3.310 693 2HG ARG 87 HG3 ARG 87 -12.994 0.864 -1.954 694 1HD ARG 87 HD2 ARG 87 -13.775 2.852 -3.174 695 2HD ARG 87 HD3 ARG 87 -12.763 2.386 -4.540 696 HE ARG 87 HE ARG 87 -15.344 1.393 -3.924 697 1HH1 ARG 87 HH12 ARG 87 -12.891 0.627 -6.507 698 2HH1 ARG 87 HH11 ARG 87 -12.520 -0.761 -5.523 699 1HH2 ARG 87 HH22 ARG 87 -16.013 -0.004 -6.065 700 2HH2 ARG 87 HH21 ARG 87 -15.329 -1.497 -5.488 701 H ILE 88 HN ILE 88 -8.761 2.286 -0.348 702 HA ILE 88 HA ILE 88 -8.485 -0.600 0.129 703 HB ILE 88 HB ILE 88 -6.468 0.215 1.656 704 1HG1 ILE 88 HG12 ILE 88 -6.428 2.106 -0.708 705 2HG1 ILE 88 HG13 ILE 88 -6.587 2.565 0.983 706 1HG2 ILE 88 HG21 ILE 88 -5.007 -0.380 -0.388 707 2HG2 ILE 88 HG22 ILE 88 -6.148 -1.581 0.224 708 3HG2 ILE 88 HG23 ILE 88 -6.545 -0.638 -1.213 709 1HD1 ILE 88 HD11 ILE 88 -4.312 1.319 1.228 710 2HD1 ILE 88 HD12 ILE 88 -4.193 1.628 -0.506 711 3HD1 ILE 88 HD13 ILE 88 -4.374 2.973 0.625 712 H LYS 89 HN LYS 89 -9.557 -1.258 1.734 713 HA LYS 89 HA LYS 89 -10.087 0.484 4.020 714 1HB LYS 89 HB2 LYS 89 -12.068 0.878 2.971 715 2HB LYS 89 HB3 LYS 89 -11.921 -0.540 1.955 716 1HG LYS 89 HG2 LYS 89 -13.499 -1.495 3.116 717 2HG LYS 89 HG3 LYS 89 -12.429 -1.500 4.533 718 1HD LYS 89 HD2 LYS 89 -14.378 -0.379 5.248 719 2HD LYS 89 HD3 LYS 89 -13.205 0.897 4.919 720 1HE LYS 89 HE2 LYS 89 -14.206 1.296 2.746 721 2HE LYS 89 HE3 LYS 89 -15.359 -0.010 3.015 722 1HZ LYS 89 HZ1 LYS 89 -16.578 1.803 3.604 723 2HZ LYS 89 HZ2 LYS 89 -15.245 2.659 4.206 724 3HZ LYS 89 HZ3 LYS 89 -15.927 1.399 5.119 725 HA PRO 90 HA PRO 90 -9.059 -3.345 6.034 726 1HB PRO 90 HB3 PRO 90 -9.680 -2.077 8.551 727 2HB PRO 90 HB2 PRO 90 -8.095 -2.462 7.875 728 1HG PRO 90 HG2 PRO 90 -9.040 0.086 8.222 729 2HG PRO 90 HG3 PRO 90 -7.814 -0.366 7.027 730 1HD PRO 90 HD3 PRO 90 -10.735 0.133 6.654 731 2HD PRO 90 HD2 PRO 90 -9.374 0.555 5.595 732 H LYS 91 HN LYS 91 -11.394 -3.821 4.978 733 HA LYS 91 HA LYS 91 -13.379 -4.863 5.178 734 1HB LYS 91 HB2 LYS 91 -11.811 -6.186 6.761 735 2HB LYS 91 HB3 LYS 91 -12.745 -5.448 8.056 736 1HG LYS 91 HG2 LYS 91 -14.763 -6.497 7.270 737 2HG LYS 91 HG3 LYS 91 -13.938 -7.081 5.824 738 1HD LYS 91 HD2 LYS 91 -12.411 -8.378 7.311 739 2HD LYS 91 HD3 LYS 91 -13.447 -7.941 8.669 740 1HE LYS 91 HE3 LYS 91 -14.022 -10.150 7.818 741 2HE LYS 91 HE2 LYS 91 -15.347 -9.020 7.561 742 1HZ LYS 91 HZ1 LYS 91 -13.507 -9.156 5.355 743 2HZ LYS 91 HZ2 LYS 91 -15.198 -9.241 5.356 744 3HZ LYS 91 HZ3 LYS 91 -14.272 -10.630 5.671 745 H ASP 92 HN ASP 92 -12.826 -2.063 6.533 746 HA ASP 92 HA ASP 92 -14.070 -0.342 7.394 747 1HB ASP 92 HB3 ASP 92 -15.688 -1.261 5.631 748 2HB ASP 92 HB2 ASP 92 -16.504 -2.066 6.960 749 H PHE 93 HN PHE 93 -12.938 -2.381 8.952 750 HA PHE 93 HA PHE 93 -14.731 -2.507 11.286 751 1HB PHE 93 HB2 PHE 93 -14.108 -4.672 10.070 752 2HB PHE 93 HB3 PHE 93 -12.467 -4.397 10.640 753 HD1 PHE 93 HD1 PHE 93 -15.924 -4.465 12.046 754 HD2 PHE 93 HD2 PHE 93 -11.826 -5.523 12.501 755 HE1 PHE 93 HE1 PHE 93 -16.467 -5.640 14.142 756 HE2 PHE 93 HE2 PHE 93 -12.360 -6.703 14.599 757 HZ PHE 93 HZ PHE 93 -14.683 -6.765 15.421 758 H GLU 94 HN GLU 94 -13.743 -2.204 13.347 759 HA GLU 94 HA GLU 94 -11.495 -0.397 13.276 760 1HB GLU 94 HB3 GLU 94 -13.174 -1.422 15.561 761 2HB GLU 94 HB2 GLU 94 -11.879 -0.247 15.741 762 1HG GLU 94 HG3 GLU 94 -13.065 1.309 14.301 763 2HG GLU 94 HG2 GLU 94 -14.351 0.123 14.066 764 H THR 95 HN THR 95 -12.169 -3.259 15.300 765 HA THR 95 HA THR 95 -9.379 -3.630 15.841 766 HB THR 95 HB THR 95 -11.622 -5.570 16.426 767 HG1 THR 95 HG1 THR 95 -12.372 -3.862 17.455 768 1HG2 THR 95 HG21 THR 95 -10.082 -5.657 18.589 769 2HG2 THR 95 HG22 THR 95 -8.850 -5.229 17.403 770 3HG2 THR 95 HG23 THR 95 -9.807 -6.696 17.189 771 H SER 96 HN SER 96 -9.426 -3.644 13.206 772 HA SER 96 HA SER 96 -9.730 -6.254 12.034 773 1HB SER 96 HB3 SER 96 -9.945 -4.126 10.739 774 2HB SER 96 HB2 SER 96 -8.245 -3.789 11.061 775 HG SER 96 HG SER 96 -8.871 -6.242 9.877 776 H GLU 97 HN GLU 97 -6.754 -4.559 11.475 777 HA GLU 97 HA GLU 97 -5.230 -6.771 12.490 778 1HB GLU 97 HB3 GLU 97 -4.516 -5.473 10.489 779 2HB GLU 97 HB2 GLU 97 -4.323 -4.062 11.521 780 1HG GLU 97 HG2 GLU 97 -2.178 -5.094 11.086 781 2HG GLU 97 HG3 GLU 97 -2.593 -5.266 12.794 782 H TYR 98 HN TYR 98 -4.649 -3.403 13.008 783 HA TYR 98 HA TYR 98 -5.500 -2.599 15.336 784 1HB TYR 98 HB2 TYR 98 -3.438 -4.631 15.676 785 2HB TYR 98 HB3 TYR 98 -2.977 -3.096 16.407 786 HD1 TYR 98 HD1 TYR 98 -5.206 -1.976 17.630 787 HD2 TYR 98 HD2 TYR 98 -4.323 -6.117 17.240 788 HE1 TYR 98 HE1 TYR 98 -6.595 -2.453 19.604 789 HE2 TYR 98 HE2 TYR 98 -5.730 -6.602 19.200 790 HH TYR 98 HH TYR 98 -7.910 -4.496 20.483 791 H VAL 99 HN VAL 99 -2.976 -3.255 13.166 792 HA VAL 99 HA VAL 99 -1.634 -0.692 13.290 793 HB VAL 99 HB VAL 99 -1.332 -2.990 11.346 794 1HG1 VAL 99 HG21 VAL 99 0.777 -1.926 10.688 795 2HG1 VAL 99 HG22 VAL 99 -0.610 -0.878 10.354 796 3HG1 VAL 99 HG23 VAL 99 0.416 -0.565 11.759 797 1HG2 VAL 99 HG11 VAL 99 0.345 -3.848 12.645 798 2HG2 VAL 99 HG12 VAL 99 0.710 -2.297 13.399 799 3HG2 VAL 99 HG13 VAL 99 -0.720 -3.199 13.892 800 H ARG 100 HN ARG 100 -3.818 -2.463 11.147 801 HA ARG 100 HA ARG 100 -3.845 -0.963 8.893 802 1HB ARG 100 HB2 ARG 100 -6.195 -2.247 10.272 803 2HB ARG 100 HB3 ARG 100 -6.271 -1.579 8.646 804 1HG ARG 100 HG3 ARG 100 -4.386 -3.110 8.034 805 2HG ARG 100 HG2 ARG 100 -4.575 -3.858 9.617 806 1HD ARG 100 HD2 ARG 100 -6.781 -4.591 9.091 807 2HD ARG 100 HD3 ARG 100 -6.795 -3.655 7.600 808 HE ARG 100 HE ARG 100 -5.487 -5.258 6.580 809 1HH1 ARG 100 HH12 ARG 100 -6.676 -7.121 9.285 810 2HH1 ARG 100 HH11 ARG 100 -5.101 -7.221 10.006 811 1HH2 ARG 100 HH22 ARG 100 -4.090 -7.048 6.529 812 2HH2 ARG 100 HH21 ARG 100 -4.057 -8.141 7.864 813 H LYS 101 HN LYS 101 -5.678 -0.102 11.827 814 HA LYS 101 HA LYS 101 -6.881 2.183 10.619 815 1HB LYS 101 HB3 LYS 101 -6.639 1.181 13.428 816 2HB LYS 101 HB2 LYS 101 -7.241 2.806 13.119 817 1HG LYS 101 HG2 LYS 101 -9.023 1.901 11.740 818 2HG LYS 101 HG3 LYS 101 -8.426 0.266 12.019 819 1HD LYS 101 HD3 LYS 101 -10.266 0.684 13.507 820 2HD LYS 101 HD2 LYS 101 -8.775 0.618 14.450 821 1HE LYS 101 HE3 LYS 101 -10.048 2.455 15.264 822 2HE LYS 101 HE2 LYS 101 -8.698 3.116 14.345 823 1HZ LYS 101 HZ1 LYS 101 -10.133 4.203 13.087 824 2HZ LYS 101 HZ2 LYS 101 -11.421 3.578 13.986 825 3HZ LYS 101 HZ3 LYS 101 -10.878 2.756 12.609 826 H ALA 102 HN ALA 102 -3.874 1.643 12.309 827 HA ALA 102 HA ALA 102 -3.363 4.404 12.863 828 1HB ALA 102 HB1 ALA 102 -2.273 2.963 14.325 829 2HB ALA 102 HB2 ALA 102 -1.749 1.887 13.031 830 3HB ALA 102 HB3 ALA 102 -0.985 3.460 13.229 831 H TRP 103 HN TRP 103 -1.515 2.141 10.820 832 HA TRP 103 HA TRP 103 -0.187 4.136 9.455 833 1HB TRP 103 HB2 TRP 103 0.853 2.474 8.316 834 2HB TRP 103 HB3 TRP 103 0.209 1.569 9.680 835 HD1 TRP 103 HD1 TRP 103 -2.368 0.399 9.006 836 HE1 TRP 103 HE1 TRP 103 -2.845 -0.993 6.883 837 HE3 TRP 103 HE3 TRP 103 1.460 2.079 6.046 838 HZ2 TRP 103 HZ2 TRP 103 -1.712 -1.328 4.317 839 HZ3 TRP 103 HZ3 TRP 103 1.673 1.156 3.765 840 HH2 TRP 103 HH2 TRP 103 0.119 -0.505 2.946 841 H LEU 104 HN LEU 104 -3.438 3.348 9.087 842 HA LEU 104 HA LEU 104 -3.705 3.957 6.309 843 1HB LEU 104 HB3 LEU 104 -5.473 2.712 7.252 844 2HB LEU 104 HB2 LEU 104 -5.582 3.757 8.650 845 HG LEU 104 HG LEU 104 -6.286 4.874 5.978 846 1HD1 LEU 104 HD21 LEU 104 -7.389 2.535 6.520 847 2HD1 LEU 104 HD22 LEU 104 -8.395 3.521 7.582 848 3HD1 LEU 104 HD23 LEU 104 -8.336 3.864 5.849 849 1HD2 LEU 104 HD11 LEU 104 -6.556 5.523 8.791 850 2HD2 LEU 104 HD12 LEU 104 -6.669 6.568 7.373 851 3HD2 LEU 104 HD13 LEU 104 -8.088 5.663 7.914 852 H ARG 105 HN ARG 105 -3.921 5.571 9.353 853 HA ARG 105 HA ARG 105 -4.477 8.205 8.473 854 1HB ARG 105 HB2 ARG 105 -4.742 7.408 10.804 855 2HB ARG 105 HB3 ARG 105 -3.001 7.237 10.943 856 1HG ARG 105 HG3 ARG 105 -4.127 9.913 10.285 857 2HG ARG 105 HG2 ARG 105 -4.228 9.310 11.941 858 1HD ARG 105 HD2 ARG 105 -1.761 9.742 10.282 859 2HD ARG 105 HD3 ARG 105 -2.221 10.563 11.772 860 HE ARG 105 HE ARG 105 -2.080 7.924 12.462 861 1HH1 ARG 105 HH12 ARG 105 0.257 10.314 11.197 862 2HH1 ARG 105 HH11 ARG 105 1.242 8.938 10.786 863 1HH2 ARG 105 HH21 ARG 105 0.554 6.735 12.384 864 2HH2 ARG 105 HH22 ARG 105 0.691 7.797 13.758 865 H ASP 106 HN ASP 106 -1.569 6.287 8.741 866 HA ASP 106 HA ASP 106 0.257 8.425 8.116 867 1HB ASP 106 HB2 ASP 106 0.618 5.425 8.080 868 2HB ASP 106 HB3 ASP 106 1.901 6.568 7.699 869 H ILE 107 HN ILE 107 -2.006 6.706 6.394 870 HA ILE 107 HA ILE 107 -0.613 6.713 3.844 871 HB ILE 107 HB ILE 107 -2.991 5.443 4.864 872 1HG1 ILE 107 HG13 ILE 107 -2.763 4.133 2.730 873 2HG1 ILE 107 HG12 ILE 107 -1.438 5.206 2.293 874 1HG2 ILE 107 HG21 ILE 107 -3.465 7.400 2.714 875 2HG2 ILE 107 HG22 ILE 107 -4.132 5.787 2.448 876 3HG2 ILE 107 HG23 ILE 107 -4.587 6.700 3.886 877 1HD1 ILE 107 HD11 ILE 107 -0.150 4.472 4.171 878 2HD1 ILE 107 HD12 ILE 107 -1.506 3.512 4.771 879 3HD1 ILE 107 HD13 ILE 107 -0.710 3.063 3.268 880 H ALA 108 HN ALA 108 -2.815 8.621 5.723 881 HA ALA 108 HA ALA 108 -3.602 10.386 3.609 882 1HB ALA 108 HB1 ALA 108 -3.584 11.467 6.339 883 2HB ALA 108 HB2 ALA 108 -4.904 11.370 5.166 884 3HB ALA 108 HB3 ALA 108 -4.496 9.964 6.157 885 H GLU 109 HN GLU 109 -1.285 10.426 6.255 886 HA GLU 109 HA GLU 109 0.024 12.848 5.396 887 1HB GLU 109 HB3 GLU 109 0.918 10.805 7.432 888 2HB GLU 109 HB2 GLU 109 1.494 12.459 7.277 889 1HG GLU 109 HG3 GLU 109 -0.793 13.242 7.852 890 2HG GLU 109 HG2 GLU 109 -1.239 11.556 8.161 891 H GLU 110 HN GLU 110 0.058 10.758 3.359 892 HA GLU 110 HA GLU 110 2.571 9.463 3.516 893 1HB GLU 110 HB2 GLU 110 2.138 8.812 1.124 894 2HB GLU 110 HB3 GLU 110 0.994 8.264 2.331 895 1HG GLU 110 HG2 GLU 110 -0.167 8.930 0.338 896 2HG GLU 110 HG3 GLU 110 -0.558 10.033 1.651 897 H GLN 111 HN GLN 111 3.614 9.608 1.008 898 HA GLN 111 HA GLN 111 5.470 11.646 1.349 899 1HB GLN 111 HB2 GLN 111 5.836 9.415 0.320 900 2HB GLN 111 HB3 GLN 111 5.036 10.013 -1.129 901 1HG GLN 111 HG2 GLN 111 6.753 11.859 -1.155 902 2HG GLN 111 HG3 GLN 111 7.608 10.954 0.090 903 1HE2 GLN 111 HE21 GLN 111 6.133 8.712 -1.711 904 2HE2 GLN 111 HE22 GLN 111 7.220 8.511 -3.031 905 H GLU 112 HN GLU 112 2.504 11.855 -0.593 906 HA GLU 112 HA GLU 112 3.480 13.611 -2.537 907 1HB GLU 112 HB3 GLU 112 1.327 14.011 -3.199 908 2HB GLU 112 HB2 GLU 112 1.134 12.497 -2.326 909 1HG GLU 112 HG2 GLU 112 -0.040 13.457 -0.635 910 2HG GLU 112 HG3 GLU 112 0.752 15.022 -0.820 911 H LYS 113 HN LYS 113 3.052 14.244 0.791 912 HA LYS 113 HA LYS 113 2.677 17.081 0.561 913 1HB LYS 113 HB3 LYS 113 3.479 15.287 2.845 914 2HB LYS 113 HB2 LYS 113 3.431 17.038 3.007 915 1HG LYS 113 HG2 LYS 113 1.393 16.298 3.848 916 2HG LYS 113 HG3 LYS 113 1.025 16.898 2.232 917 1HD LYS 113 HD2 LYS 113 0.993 14.652 1.359 918 2HD LYS 113 HD3 LYS 113 1.482 14.006 2.928 919 1HE LYS 113 HE2 LYS 113 -1.095 15.436 2.281 920 2HE LYS 113 HE3 LYS 113 -0.900 13.724 2.663 921 1HZ LYS 113 HZ1 LYS 113 -0.816 16.047 4.441 922 2HZ LYS 113 HZ2 LYS 113 0.173 14.725 4.823 923 3HZ LYS 113 HZ3 LYS 113 -1.508 14.519 4.693 924 H TYR 114 HN TYR 114 5.304 14.912 0.441 925 HA TYR 114 HA TYR 114 7.562 15.111 0.687 926 1HB TYR 114 HB3 TYR 114 8.495 16.429 -1.222 927 2HB TYR 114 HB2 TYR 114 7.304 15.200 -1.621 928 HD1 TYR 114 HD1 TYR 114 7.230 18.746 -0.588 929 HD2 TYR 114 HD2 TYR 114 5.895 15.808 -3.318 930 HE1 TYR 114 HE1 TYR 114 5.945 20.479 -1.796 931 HE2 TYR 114 HE2 TYR 114 4.581 17.508 -4.541 932 HH TYR 114 HH TYR 114 4.667 20.927 -3.554 933 H ALA 115 HN ALA 115 6.584 16.668 2.756 934 HA ALA 115 HA ALA 115 8.871 18.258 3.301 935 1HB ALA 115 HB1 ALA 115 6.735 19.602 2.009 936 2HB ALA 115 HB2 ALA 115 6.776 20.147 3.684 937 3HB ALA 115 HB3 ALA 115 8.215 20.288 2.678 938 H ALA 116 HN ALA 116 8.696 19.297 5.488 939 HA ALA 116 HA ALA 116 6.596 18.259 7.214 940 1HB ALA 116 HB1 ALA 116 8.991 17.674 8.595 941 2HB ALA 116 HB2 ALA 116 7.768 16.542 8.009 942 3HB ALA 116 HB3 ALA 116 9.142 16.973 6.982 943 H GLU 117 HN GLU 117 6.389 19.406 9.157 944 HA GLU 117 HA GLU 117 7.427 22.069 9.072 945 1HB GLU 117 HB2 GLU 117 6.133 22.473 11.080 946 2HB GLU 117 HB3 GLU 117 5.169 21.588 9.910 947 1HG GLU 117 HG2 GLU 117 5.395 19.561 11.129 948 2HG GLU 117 HG3 GLU 117 6.586 20.277 12.216 949 H ARG 118 HN ARG 118 8.442 19.152 10.563 950 HA ARG 118 HA ARG 118 10.266 18.585 11.766 951 1HB ARG 118 HB2 ARG 118 11.158 21.439 11.331 952 2HB ARG 118 HB3 ARG 118 12.164 20.111 11.890 953 1HG ARG 118 HG2 ARG 118 10.865 20.351 9.191 954 2HG ARG 118 HG3 ARG 118 12.585 20.544 9.560 955 1HD ARG 118 HD2 ARG 118 12.701 18.218 10.278 956 2HD ARG 118 HD3 ARG 118 10.977 18.022 9.957 957 HE ARG 118 HE ARG 118 12.269 18.929 7.626 958 1HH1 ARG 118 HH11 ARG 118 11.480 15.631 9.133 959 2HH1 ARG 118 HH12 ARG 118 13.220 15.651 9.136 960 1HH2 ARG 118 HH22 ARG 118 11.893 16.869 5.864 961 2HH2 ARG 118 HH21 ARG 118 13.531 16.426 6.286 962 H ASP 119 HN ASP 119 11.732 20.492 13.527 963 HA ASP 119 HA ASP 119 9.731 21.305 15.455 964 1HB ASP 119 HB2 ASP 119 10.482 19.901 17.232 965 2HB ASP 119 HB3 ASP 119 10.155 18.858 15.848 Start of MODEL 23 1 1H MET 1 HT1 MET 1 20.392 0.388 8.781 2 2H MET 1 HT2 MET 1 22.017 -0.078 8.977 3 3H MET 1 HT3 MET 1 21.585 1.567 9.122 4 HA MET 1 HA MET 1 21.493 -0.558 11.048 5 1HB MET 1 HB3 MET 1 21.740 2.424 10.895 6 2HB MET 1 HB2 MET 1 21.172 1.771 12.387 7 1HG MET 1 HG3 MET 1 23.623 2.142 12.366 8 2HG MET 1 HG2 MET 1 23.180 0.431 12.593 9 1HE MET 1 HE1 MET 1 25.697 0.729 12.360 10 2HE MET 1 HE2 MET 1 25.991 -0.575 11.214 11 3HE MET 1 HE3 MET 1 26.553 1.043 10.818 12 H GLY 2 HN GLY 2 19.932 0.986 12.929 13 1HA GLY 2 HA1 GLY 2 17.659 1.546 13.353 14 2HA GLY 2 HA2 GLY 2 17.219 0.817 11.816 15 H ASP 3 HN ASP 3 15.697 -0.568 12.556 16 HA ASP 3 HA ASP 3 16.232 -2.361 14.797 17 1HB ASP 3 HB3 ASP 3 13.884 -1.994 12.936 18 2HB ASP 3 HB2 ASP 3 13.971 -3.375 14.008 19 H THR 4 HN THR 4 17.786 -3.784 14.356 20 HA THR 4 HA THR 4 18.756 -5.700 13.638 21 HB THR 4 HB THR 4 16.337 -6.037 11.848 22 HG1 THR 4 HG1 THR 4 16.881 -6.647 14.559 23 1HG2 THR 4 HG21 THR 4 18.664 -7.757 12.367 24 2HG2 THR 4 HG22 THR 4 17.529 -7.728 10.994 25 3HG2 THR 4 HG23 THR 4 17.057 -8.532 12.502 26 H GLY 5 HN GLY 5 17.299 -3.925 10.896 27 1HA GLY 5 HA1 GLY 5 18.534 -2.856 9.228 28 2HA GLY 5 HA2 GLY 5 19.949 -3.745 9.720 29 H LYS 6 HN LYS 6 17.461 -5.878 9.479 30 HA LYS 6 HA LYS 6 17.954 -6.425 6.669 31 1HB LYS 6 HB3 LYS 6 19.530 -7.659 8.247 32 2HB LYS 6 HB2 LYS 6 18.130 -8.630 8.655 33 1HG LYS 6 HG3 LYS 6 19.426 -9.789 6.983 34 2HG LYS 6 HG2 LYS 6 17.887 -9.313 6.313 35 1HD LYS 6 HD3 LYS 6 19.034 -7.323 5.275 36 2HD LYS 6 HD2 LYS 6 20.549 -7.900 5.966 37 1HE LYS 6 HE3 LYS 6 20.252 -10.060 4.725 38 2HE LYS 6 HE2 LYS 6 18.928 -9.235 3.890 39 1HZ LYS 6 HZ1 LYS 6 21.524 -9.087 3.163 40 2HZ LYS 6 HZ2 LYS 6 21.239 -7.611 3.881 41 3HZ LYS 6 HZ3 LYS 6 20.290 -8.103 2.560 42 H LEU 7 HN LEU 7 15.620 -5.526 8.362 43 HA LEU 7 HA LEU 7 13.783 -7.771 8.081 44 1HB LEU 7 HB3 LEU 7 13.206 -4.989 9.078 45 2HB LEU 7 HB2 LEU 7 12.170 -6.362 9.219 46 HG LEU 7 HG LEU 7 14.843 -6.017 10.641 47 1HD1 LEU 7 HD21 LEU 7 13.653 -5.826 12.577 48 2HD1 LEU 7 HD22 LEU 7 12.940 -4.648 11.420 49 3HD1 LEU 7 HD23 LEU 7 12.105 -6.177 11.814 50 1HD2 LEU 7 HD11 LEU 7 14.846 -8.249 10.746 51 2HD2 LEU 7 HD12 LEU 7 13.446 -8.069 11.783 52 3HD2 LEU 7 HD13 LEU 7 13.192 -8.375 10.059 53 H GLY 8 HN GLY 8 14.762 -4.959 6.371 54 1HA GLY 8 HA1 GLY 8 14.077 -4.077 4.446 55 2HA GLY 8 HA2 GLY 8 13.113 -5.520 4.125 56 H ARG 9 HN ARG 9 12.905 -3.048 6.691 57 HA ARG 9 HA ARG 9 10.138 -2.538 5.763 58 1HB ARG 9 HB3 ARG 9 11.243 -2.873 8.618 59 2HB ARG 9 HB2 ARG 9 9.566 -2.457 8.249 60 1HG ARG 9 HG2 ARG 9 9.223 -4.585 7.048 61 2HG ARG 9 HG3 ARG 9 10.871 -5.016 7.499 62 1HD ARG 9 HD3 ARG 9 10.343 -5.322 9.683 63 2HD ARG 9 HD2 ARG 9 8.990 -4.193 9.569 64 HE ARG 9 HE ARG 9 7.690 -6.084 9.273 65 1HH1 ARG 9 HH12 ARG 9 10.784 -7.275 7.416 66 2HH1 ARG 9 HH11 ARG 9 10.684 -8.317 8.822 67 1HH2 ARG 9 HH22 ARG 9 7.480 -8.547 9.014 68 2HH2 ARG 9 HH21 ARG 9 7.830 -8.594 7.310 69 H ILE 10 HN ILE 10 11.818 -0.876 4.817 70 HA ILE 10 HA ILE 10 12.826 1.172 6.427 71 HB ILE 10 HB ILE 10 13.371 0.907 4.085 72 1HG1 ILE 10 HG12 ILE 10 13.597 3.303 3.582 73 2HG1 ILE 10 HG13 ILE 10 12.474 3.598 4.922 74 1HG2 ILE 10 HG21 ILE 10 11.704 0.657 2.668 75 2HG2 ILE 10 HG22 ILE 10 10.585 1.625 3.669 76 3HG2 ILE 10 HG23 ILE 10 11.737 2.406 2.585 77 1HD1 ILE 10 HD11 ILE 10 14.403 3.801 6.114 78 2HD1 ILE 10 HD12 ILE 10 14.375 2.013 6.112 79 3HD1 ILE 10 HD13 ILE 10 15.330 2.918 4.932 80 H ILE 11 HN ILE 11 9.585 0.748 5.014 81 HA ILE 11 HA ILE 11 8.754 3.008 6.665 82 HB ILE 11 HB ILE 11 7.605 2.197 4.031 83 1HG1 ILE 11 HG12 ILE 11 8.877 4.715 5.152 84 2HG1 ILE 11 HG13 ILE 11 9.525 3.692 3.864 85 1HG2 ILE 11 HG21 ILE 11 6.215 3.323 6.232 86 2HG2 ILE 11 HG22 ILE 11 6.272 4.484 4.904 87 3HG2 ILE 11 HG23 ILE 11 5.574 2.865 4.673 88 1HD1 ILE 11 HD11 ILE 11 6.934 4.576 3.025 89 2HD1 ILE 11 HD12 ILE 11 7.904 5.971 3.545 90 3HD1 ILE 11 HD13 ILE 11 8.535 4.888 2.285 91 H ARG 12 HN ARG 12 6.489 0.841 5.078 92 HA ARG 12 HA ARG 12 6.200 -0.813 7.376 93 1HB ARG 12 HB2 ARG 12 4.973 1.518 7.684 94 2HB ARG 12 HB3 ARG 12 3.740 0.662 6.720 95 1HG ARG 12 HG3 ARG 12 3.473 -1.003 8.389 96 2HG ARG 12 HG2 ARG 12 4.932 -0.446 9.256 97 1HD ARG 12 HD3 ARG 12 2.295 1.020 8.960 98 2HD ARG 12 HD2 ARG 12 2.955 0.291 10.428 99 HE ARG 12 HE ARG 12 4.783 2.168 9.475 100 1HH1 ARG 12 HH12 ARG 12 1.636 2.658 11.620 101 2HH1 ARG 12 HH11 ARG 12 1.321 3.539 10.150 102 1HH2 ARG 12 HH22 ARG 12 4.418 4.376 11.440 103 2HH2 ARG 12 HH21 ARG 12 3.726 4.983 9.989 104 H HIS 13 HN HIS 13 4.189 -2.258 7.122 105 HA HIS 13 HA HIS 13 3.158 -2.520 4.430 106 1HB HIS 13 HB2 HIS 13 4.062 -4.641 3.900 107 2HB HIS 13 HB3 HIS 13 5.465 -3.761 4.466 108 HD1 HIS 13 HD1 HIS 13 5.471 -4.211 7.410 109 HD2 HIS 13 HD2 HIS 13 4.325 -7.156 4.719 110 HE1 HIS 13 HE1 HIS 13 5.831 -6.435 8.573 111 HE2 HIS 13 HE2 HIS 13 4.751 -8.116 7.061 112 H ASP 14 HN ASP 14 1.165 -3.409 4.490 113 HA ASP 14 HA ASP 14 0.336 -4.848 6.890 114 1HB ASP 14 HB2 ASP 14 -0.169 -2.291 6.909 115 2HB ASP 14 HB3 ASP 14 -1.452 -2.726 5.832 116 H ALA 15 HN ALA 15 -2.450 -4.821 6.170 117 HA ALA 15 HA ALA 15 -2.514 -5.997 3.488 118 1HB ALA 15 HB1 ALA 15 -2.192 -7.655 5.865 119 2HB ALA 15 HB2 ALA 15 -3.722 -7.975 5.032 120 3HB ALA 15 HB3 ALA 15 -2.214 -8.134 4.131 121 H PHE 16 HN PHE 16 -4.425 -5.716 2.575 122 HA PHE 16 HA PHE 16 -6.811 -5.211 4.270 123 1HB PHE 16 HB2 PHE 16 -5.794 -3.603 1.882 124 2HB PHE 16 HB3 PHE 16 -7.456 -3.531 2.433 125 HD1 PHE 16 HD1 PHE 16 -7.535 -3.166 5.126 126 HD2 PHE 16 HD2 PHE 16 -4.376 -2.048 2.561 127 HE1 PHE 16 HE1 PHE 16 -6.867 -1.429 6.723 128 HE2 PHE 16 HE2 PHE 16 -3.695 -0.318 4.162 129 HZ PHE 16 HZ PHE 16 -4.918 -0.011 6.260 130 H GLN 17 HN GLN 17 -8.754 -5.933 3.387 131 HA GLN 17 HA GLN 17 -8.546 -7.543 0.911 132 1HB GLN 17 HB3 GLN 17 -8.670 -8.931 2.963 133 2HB GLN 17 HB2 GLN 17 -10.210 -8.173 3.405 134 1HG GLN 17 HG2 GLN 17 -11.180 -9.087 1.321 135 2HG GLN 17 HG3 GLN 17 -9.673 -9.893 1.034 136 1HE2 GLN 17 HE21 GLN 17 -9.633 -11.900 1.598 137 2HE2 GLN 17 HE22 GLN 17 -10.246 -12.511 3.122 138 H VAL 18 HN VAL 18 -9.227 -5.453 -0.006 139 HA VAL 18 HA VAL 18 -12.118 -5.102 0.107 140 HB VAL 18 HB VAL 18 -11.191 -3.492 1.605 141 1HG1 VAL 18 HG11 VAL 18 -9.454 -1.859 0.497 142 2HG1 VAL 18 HG12 VAL 18 -8.948 -3.401 1.219 143 3HG1 VAL 18 HG13 VAL 18 -9.125 -3.260 -0.551 144 1HG2 VAL 18 HG21 VAL 18 -11.512 -1.861 -0.909 145 2HG2 VAL 18 HG22 VAL 18 -12.852 -2.744 -0.236 146 3HG2 VAL 18 HG23 VAL 18 -12.093 -1.503 0.734 147 H TRP 19 HN TRP 19 -13.030 -4.268 -1.684 148 HA TRP 19 HA TRP 19 -12.405 -5.239 -4.085 149 1HB TRP 19 HB2 TRP 19 -13.927 -2.655 -3.725 150 2HB TRP 19 HB3 TRP 19 -14.174 -3.922 -4.912 151 HD1 TRP 19 HD1 TRP 19 -15.426 -6.174 -4.162 152 HE1 TRP 19 HE1 TRP 19 -16.943 -6.647 -2.031 153 HE3 TRP 19 HE3 TRP 19 -14.290 -2.081 -1.199 154 HZ2 TRP 19 HZ2 TRP 19 -17.548 -5.510 0.398 155 HZ3 TRP 19 HZ3 TRP 19 -15.372 -1.868 0.987 156 HH2 TRP 19 HH2 TRP 19 -16.954 -3.541 1.813 157 H GLU 20 HN GLU 20 -11.610 -4.508 -6.043 158 HA GLU 20 HA GLU 20 -9.612 -2.400 -5.888 159 1HB GLU 20 HB3 GLU 20 -10.244 -4.491 -7.978 160 2HB GLU 20 HB2 GLU 20 -9.110 -3.199 -8.268 161 1HG GLU 20 HG3 GLU 20 -7.597 -4.074 -6.668 162 2HG GLU 20 HG2 GLU 20 -8.876 -5.048 -5.935 163 H GLY 21 HN GLY 21 -12.483 -1.868 -5.936 164 1HA GLY 21 HA1 GLY 21 -13.579 0.078 -6.727 165 2HA GLY 21 HA2 GLY 21 -12.491 0.167 -8.105 166 H ASP 22 HN ASP 22 -15.232 -1.532 -6.669 167 HA ASP 22 HA ASP 22 -16.995 -2.618 -7.497 168 1HB ASP 22 HB2 ASP 22 -16.166 -1.253 -10.069 169 2HB ASP 22 HB3 ASP 22 -17.598 -2.293 -9.944 170 H GLU 23 HN GLU 23 -14.176 -3.615 -7.631 171 HA GLU 23 HA GLU 23 -14.610 -5.918 -9.384 172 1HB GLU 23 HB3 GLU 23 -12.067 -4.623 -8.381 173 2HB GLU 23 HB2 GLU 23 -12.096 -6.280 -9.063 174 1HG GLU 23 HG3 GLU 23 -12.934 -3.754 -10.495 175 2HG GLU 23 HG2 GLU 23 -11.402 -4.581 -10.719 176 HA PRO 24 HA PRO 24 -15.226 -8.729 -6.079 177 1HB PRO 24 HB3 PRO 24 -12.859 -10.213 -7.111 178 2HB PRO 24 HB2 PRO 24 -14.434 -10.806 -6.707 179 1HG PRO 24 HG3 PRO 24 -13.817 -10.445 -9.230 180 2HG PRO 24 HG2 PRO 24 -15.393 -10.011 -8.695 181 1HD PRO 24 HD3 PRO 24 -13.096 -8.248 -9.345 182 2HD PRO 24 HD2 PRO 24 -14.811 -7.947 -9.534 183 HA PRO 25 HA PRO 25 -12.378 -7.497 -2.898 184 1HB PRO 25 HB3 PRO 25 -13.276 -9.094 -0.981 185 2HB PRO 25 HB2 PRO 25 -14.119 -7.624 -1.437 186 1HG PRO 25 HG3 PRO 25 -14.687 -10.449 -2.111 187 2HG PRO 25 HG2 PRO 25 -15.810 -9.150 -1.784 188 1HD PRO 25 HD2 PRO 25 -15.248 -10.054 -4.273 189 2HD PRO 25 HD3 PRO 25 -15.769 -8.369 -3.933 190 H LYS 26 HN LYS 26 -10.449 -8.232 -2.011 191 HA LYS 26 HA LYS 26 -9.713 -11.040 -2.005 192 1HB LYS 26 HB2 LYS 26 -9.427 -10.604 -4.316 193 2HB LYS 26 HB3 LYS 26 -8.658 -9.070 -4.012 194 1HG LYS 26 HG2 LYS 26 -6.639 -10.145 -3.249 195 2HG LYS 26 HG3 LYS 26 -7.436 -11.745 -3.307 196 1HD LYS 26 HD3 LYS 26 -5.976 -11.195 -5.265 197 2HD LYS 26 HD2 LYS 26 -7.623 -11.673 -5.688 198 1HE LYS 26 HE2 LYS 26 -8.151 -9.227 -5.810 199 2HE LYS 26 HE3 LYS 26 -6.437 -8.858 -5.556 200 1HZ LYS 26 HZ1 LYS 26 -7.049 -8.740 -7.857 201 2HZ LYS 26 HZ2 LYS 26 -7.557 -10.356 -7.850 202 3HZ LYS 26 HZ3 LYS 26 -5.923 -9.975 -7.599 203 H LEU 27 HN LEU 27 -7.758 -11.374 -0.868 204 HA LEU 27 HA LEU 27 -7.046 -9.264 0.947 205 1HB LEU 27 HB3 LEU 27 -7.322 -11.771 1.461 206 2HB LEU 27 HB2 LEU 27 -5.756 -11.985 0.713 207 HG LEU 27 HG LEU 27 -6.090 -10.066 3.038 208 1HD1 LEU 27 HD11 LEU 27 -4.840 -12.406 3.943 209 2HD1 LEU 27 HD12 LEU 27 -6.503 -11.852 4.320 210 3HD1 LEU 27 HD13 LEU 27 -6.214 -12.975 3.025 211 1HD2 LEU 27 HD21 LEU 27 -3.599 -11.499 2.817 212 2HD2 LEU 27 HD22 LEU 27 -3.937 -10.770 1.270 213 3HD2 LEU 27 HD23 LEU 27 -3.854 -9.767 2.734 214 H ARG 28 HN ARG 28 -5.369 -7.969 0.770 215 HA ARG 28 HA ARG 28 -3.202 -8.611 -1.135 216 1HB ARG 28 HB3 ARG 28 -4.629 -5.961 -0.959 217 2HB ARG 28 HB2 ARG 28 -3.199 -6.276 -1.962 218 1HG ARG 28 HG3 ARG 28 -4.439 -7.917 -3.262 219 2HG ARG 28 HG2 ARG 28 -5.912 -7.620 -2.279 220 1HD ARG 28 HD3 ARG 28 -5.723 -5.171 -2.953 221 2HD ARG 28 HD2 ARG 28 -4.501 -5.707 -4.129 222 HE ARG 28 HE ARG 28 -6.245 -6.432 -5.440 223 1HH1 ARG 28 HH11 ARG 28 -7.769 -7.035 -2.113 224 2HH1 ARG 28 HH12 ARG 28 -8.693 -5.643 -2.592 225 1HH2 ARG 28 HH22 ARG 28 -8.359 -7.104 -5.920 226 2HH2 ARG 28 HH21 ARG 28 -9.571 -7.162 -4.681 227 H TYR 29 HN TYR 29 -1.225 -8.217 -0.330 228 HA TYR 29 HA TYR 29 -0.985 -7.027 2.361 229 1HB TYR 29 HB2 TYR 29 1.060 -8.384 0.542 230 2HB TYR 29 HB3 TYR 29 1.346 -7.827 2.163 231 HD1 TYR 29 HD1 TYR 29 -0.828 -8.761 3.796 232 HD2 TYR 29 HD2 TYR 29 1.113 -10.691 0.523 233 HE1 TYR 29 HE1 TYR 29 -1.465 -10.978 4.699 234 HE2 TYR 29 HE2 TYR 29 0.438 -12.844 1.364 235 HH TYR 29 HH TYR 29 -0.267 -13.967 3.271 236 H VAL 30 HN VAL 30 -1.099 -4.828 2.161 237 HA VAL 30 HA VAL 30 0.068 -3.364 0.012 238 HB VAL 30 HB VAL 30 -1.022 -2.475 2.704 239 1HG1 VAL 30 HG21 VAL 30 -1.070 -0.405 0.702 240 2HG1 VAL 30 HG22 VAL 30 -0.251 -0.412 2.242 241 3HG1 VAL 30 HG23 VAL 30 0.567 -1.016 0.845 242 1HG2 VAL 30 HG11 VAL 30 -2.148 -2.665 -0.088 243 2HG2 VAL 30 HG12 VAL 30 -2.807 -3.393 1.402 244 3HG2 VAL 30 HG13 VAL 30 -2.905 -1.650 1.173 245 H PHE 31 HN PHE 31 2.218 -3.531 -0.203 246 HA PHE 31 HA PHE 31 3.956 -3.133 2.145 247 1HB PHE 31 HB3 PHE 31 4.612 -4.109 -0.665 248 2HB PHE 31 HB2 PHE 31 5.787 -3.855 0.646 249 HD1 PHE 31 HD1 PHE 31 5.814 -6.357 -0.657 250 HD2 PHE 31 HD2 PHE 31 3.236 -5.006 2.424 251 HE1 PHE 31 HE1 PHE 31 5.478 -8.736 0.048 252 HE2 PHE 31 HE2 PHE 31 2.815 -7.367 3.106 253 HZ PHE 31 HZ PHE 31 3.984 -9.188 1.937 254 H LEU 32 HN LEU 32 4.595 -1.117 2.529 255 HA LEU 32 HA LEU 32 4.990 0.674 0.207 256 1HB LEU 32 HB3 LEU 32 3.228 1.671 1.293 257 2HB LEU 32 HB2 LEU 32 3.719 1.089 2.850 258 HG LEU 32 HG LEU 32 5.365 2.735 3.112 259 1HD1 LEU 32 HD21 LEU 32 4.646 4.487 0.881 260 2HD1 LEU 32 HD22 LEU 32 6.233 3.923 1.391 261 3HD1 LEU 32 HD23 LEU 32 5.254 2.925 0.303 262 1HD2 LEU 32 HD11 LEU 32 3.835 4.799 2.986 263 2HD2 LEU 32 HD12 LEU 32 2.583 3.697 2.360 264 3HD2 LEU 32 HD13 LEU 32 3.312 3.444 3.972 265 H PHE 33 HN PHE 33 6.844 1.460 -0.067 266 HA PHE 33 HA PHE 33 8.796 1.666 2.188 267 1HB PHE 33 HB3 PHE 33 9.375 0.316 -0.444 268 2HB PHE 33 HB2 PHE 33 10.506 0.540 0.876 269 HD1 PHE 33 HD1 PHE 33 9.651 -0.369 3.206 270 HD2 PHE 33 HD2 PHE 33 8.599 -1.847 -0.625 271 HE1 PHE 33 HE1 PHE 33 8.969 -2.535 4.244 272 HE2 PHE 33 HE2 PHE 33 7.995 -4.009 0.371 273 HZ PHE 33 HZ PHE 33 8.164 -4.361 2.789 274 H ARG 34 HN ARG 34 11.036 2.366 0.796 275 HA ARG 34 HA ARG 34 10.351 5.038 -0.089 276 1HB ARG 34 HB3 ARG 34 13.003 3.653 0.376 277 2HB ARG 34 HB2 ARG 34 12.865 5.320 -0.169 278 1HG ARG 34 HG3 ARG 34 11.532 4.330 2.353 279 2HG ARG 34 HG2 ARG 34 13.195 4.897 2.332 280 1HD ARG 34 HD2 ARG 34 10.862 6.539 1.333 281 2HD ARG 34 HD3 ARG 34 11.460 6.610 3.007 282 HE ARG 34 HE ARG 34 13.615 7.048 1.280 283 1HH1 ARG 34 HH12 ARG 34 10.635 9.012 0.890 284 2HH1 ARG 34 HH11 ARG 34 10.905 9.488 2.512 285 1HH2 ARG 34 HH21 ARG 34 13.960 9.402 0.312 286 2HH2 ARG 34 HH22 ARG 34 13.568 10.436 1.649 287 H ASN 35 HN ASN 35 9.192 3.788 -1.921 288 HA ASN 35 HA ASN 35 10.681 4.304 -4.324 289 1HB ASN 35 HB2 ASN 35 11.535 2.042 -3.736 290 2HB ASN 35 HB3 ASN 35 9.875 1.455 -3.760 291 1HD2 ASN 35 HD21 ASN 35 9.241 0.504 -5.526 292 2HD2 ASN 35 HD22 ASN 35 9.803 0.881 -7.149 293 H LYS 36 HN LYS 36 8.019 2.202 -3.240 294 HA LYS 36 HA LYS 36 5.951 3.900 -4.108 295 1HB LYS 36 HB2 LYS 36 5.047 2.641 -5.964 296 2HB LYS 36 HB3 LYS 36 6.712 3.117 -6.332 297 1HG LYS 36 HG3 LYS 36 7.482 0.881 -5.982 298 2HG LYS 36 HG2 LYS 36 5.970 0.389 -5.232 299 1HD LYS 36 HD3 LYS 36 4.834 0.415 -7.292 300 2HD LYS 36 HD2 LYS 36 6.100 1.468 -8.000 301 1HE LYS 36 HE2 LYS 36 7.670 -0.411 -7.870 302 2HE LYS 36 HE3 LYS 36 6.428 -1.438 -7.183 303 1HZ LYS 36 HZ1 LYS 36 5.188 -0.644 -9.424 304 2HZ LYS 36 HZ2 LYS 36 6.221 -2.022 -9.393 305 3HZ LYS 36 HZ3 LYS 36 6.809 -0.534 -9.940 306 H ILE 37 HN ILE 37 3.885 2.403 -4.325 307 HA ILE 37 HA ILE 37 3.924 0.750 -1.868 308 HB ILE 37 HB ILE 37 1.508 1.920 -3.267 309 1HG1 ILE 37 HG12 ILE 37 3.046 2.920 -0.836 310 2HG1 ILE 37 HG13 ILE 37 3.101 3.687 -2.414 311 1HG2 ILE 37 HG21 ILE 37 1.646 1.066 -0.377 312 2HG2 ILE 37 HG22 ILE 37 0.280 1.211 -1.443 313 3HG2 ILE 37 HG23 ILE 37 1.401 -0.138 -1.708 314 1HD1 ILE 37 HD11 ILE 37 0.352 3.482 -1.716 315 2HD1 ILE 37 HD12 ILE 37 1.228 4.096 -0.286 316 3HD1 ILE 37 HD13 ILE 37 1.350 4.918 -1.826 317 H MET 38 HN MET 38 4.716 -1.118 -2.915 318 HA MET 38 HA MET 38 3.187 -2.301 -5.054 319 1HB MET 38 HB2 MET 38 5.636 -2.507 -4.975 320 2HB MET 38 HB3 MET 38 5.481 -3.427 -3.494 321 1HG MET 38 HG2 MET 38 4.338 -5.204 -4.688 322 2HG MET 38 HG3 MET 38 4.318 -4.263 -6.180 323 1HE MET 38 HE1 MET 38 6.375 -6.649 -7.573 324 2HE MET 38 HE2 MET 38 6.465 -7.488 -6.057 325 3HE MET 38 HE3 MET 38 4.953 -6.758 -6.550 326 H PHE 39 HN PHE 39 1.263 -3.189 -4.405 327 HA PHE 39 HA PHE 39 1.295 -4.700 -1.923 328 1HB PHE 39 HB2 PHE 39 -1.194 -4.476 -1.842 329 2HB PHE 39 HB3 PHE 39 -0.310 -2.949 -1.747 330 HD1 PHE 39 HD1 PHE 39 -3.030 -4.527 -3.149 331 HD2 PHE 39 HD2 PHE 39 0.029 -1.797 -4.131 332 HE1 PHE 39 HE1 PHE 39 -4.420 -3.625 -4.970 333 HE2 PHE 39 HE2 PHE 39 -1.333 -0.883 -5.963 334 HZ PHE 39 HZ PHE 39 -3.560 -1.845 -6.422 335 H THR 40 HN THR 40 1.590 -6.746 -2.146 336 HA THR 40 HA THR 40 0.858 -8.101 -4.624 337 HB THR 40 HB THR 40 1.829 -10.121 -3.319 338 HG1 THR 40 HG1 THR 40 1.541 -9.622 -1.242 339 1HG2 THR 40 HG21 THR 40 4.096 -9.432 -3.400 340 2HG2 THR 40 HG22 THR 40 3.630 -7.724 -3.339 341 3HG2 THR 40 HG23 THR 40 3.242 -8.687 -4.778 342 H GLU 41 HN GLU 41 -0.692 -9.842 -4.709 343 HA GLU 41 HA GLU 41 -2.708 -9.643 -2.582 344 1HB GLU 41 HB2 GLU 41 -4.122 -10.511 -4.719 345 2HB GLU 41 HB3 GLU 41 -3.962 -8.808 -4.285 346 1HG GLU 41 HG3 GLU 41 -2.277 -8.417 -5.867 347 2HG GLU 41 HG2 GLU 41 -2.081 -10.133 -6.208 348 H GLN 42 HN GLN 42 -4.287 -11.527 -2.709 349 HA GLN 42 HA GLN 42 -3.490 -14.070 -3.630 350 1HB GLN 42 HB2 GLN 42 -1.799 -13.973 -1.924 351 2HB GLN 42 HB3 GLN 42 -2.999 -13.534 -0.675 352 1HG GLN 42 HG2 GLN 42 -4.116 -15.722 -1.117 353 2HG GLN 42 HG3 GLN 42 -2.815 -16.161 -2.236 354 1HE2 GLN 42 HE21 GLN 42 -1.723 -17.694 -1.224 355 2HE2 GLN 42 HE22 GLN 42 -1.254 -17.699 0.435 356 H ASP 43 HN ASP 43 -5.481 -14.944 -3.965 357 HA ASP 43 HA ASP 43 -7.422 -14.776 -1.754 358 1HB ASP 43 HB3 ASP 43 -8.039 -12.977 -3.306 359 2HB ASP 43 HB2 ASP 43 -8.101 -14.107 -4.627 360 H ALA 44 HN ALA 44 -7.379 -16.869 -1.275 361 HA ALA 44 HA ALA 44 -7.556 -19.162 -1.415 362 1HB ALA 44 HB1 ALA 44 -9.879 -18.151 -2.101 363 2HB ALA 44 HB2 ALA 44 -9.490 -18.845 -3.698 364 3HB ALA 44 HB3 ALA 44 -9.538 -19.889 -2.235 365 H SER 45 HN SER 45 -8.401 -20.345 -4.258 366 HA SER 45 HA SER 45 -6.082 -19.789 -5.812 367 1HB SER 45 HB2 SER 45 -5.141 -21.204 -3.981 368 2HB SER 45 HB3 SER 45 -6.220 -22.486 -4.478 369 HG SER 45 HG SER 45 -5.176 -22.702 -6.422 370 H THR 46 HN THR 46 -6.336 -20.248 -7.847 371 HA THR 46 HA THR 46 -7.153 -20.861 -9.822 372 HB THR 46 HB THR 46 -8.163 -23.472 -8.993 373 HG1 THR 46 HG1 THR 46 -5.453 -22.780 -8.547 374 1HG2 THR 46 HG21 THR 46 -5.858 -22.689 -10.750 375 2HG2 THR 46 HG22 THR 46 -7.551 -22.809 -11.319 376 3HG2 THR 46 HG23 THR 46 -6.705 -24.277 -10.714 377 H SER 47 HN SER 47 -9.711 -21.541 -7.362 378 HA SER 47 HA SER 47 -11.645 -21.474 -9.497 379 1HB SER 47 HB2 SER 47 -12.187 -21.869 -6.537 380 2HB SER 47 HB3 SER 47 -13.232 -22.265 -7.842 381 HG SER 47 HG SER 47 -11.336 -23.619 -8.564 382 HA PRO 48 HA PRO 48 -13.317 -17.663 -7.124 383 1HB PRO 48 HB2 PRO 48 -11.291 -16.874 -5.221 384 2HB PRO 48 HB3 PRO 48 -12.973 -17.244 -4.894 385 1HG PRO 48 HG2 PRO 48 -11.096 -18.875 -4.002 386 2HG PRO 48 HG3 PRO 48 -12.560 -19.529 -4.660 387 1HD PRO 48 HD3 PRO 48 -9.962 -19.170 -6.069 388 2HD PRO 48 HD2 PRO 48 -10.973 -20.645 -5.974 389 HA PRO 49 HA PRO 49 -11.477 -14.117 -9.173 390 1HB PRO 49 HB2 PRO 49 -10.505 -12.982 -6.570 391 2HB PRO 49 HB3 PRO 49 -11.380 -12.164 -7.885 392 1HG PRO 49 HG3 PRO 49 -12.582 -12.935 -5.576 393 2HG PRO 49 HG2 PRO 49 -13.421 -12.887 -7.113 394 1HD PRO 49 HD2 PRO 49 -12.634 -15.186 -5.553 395 2HD PRO 49 HD3 PRO 49 -13.771 -15.108 -6.914 396 H SER 50 HN SER 50 -9.587 -15.162 -6.358 397 HA SER 50 HA SER 50 -7.492 -15.590 -5.960 398 1HB SER 50 HB2 SER 50 -6.118 -16.730 -7.721 399 2HB SER 50 HB3 SER 50 -7.691 -17.413 -7.468 400 HG SER 50 HG SER 50 -8.028 -15.654 -9.331 401 H TYR 51 HN TYR 51 -5.056 -15.225 -6.736 402 HA TYR 51 HA TYR 51 -4.999 -12.312 -7.224 403 1HB TYR 51 HB3 TYR 51 -3.207 -12.161 -5.801 404 2HB TYR 51 HB2 TYR 51 -3.971 -13.625 -5.187 405 HD1 TYR 51 HD1 TYR 51 -1.216 -12.402 -7.417 406 HD2 TYR 51 HD2 TYR 51 -2.715 -15.661 -5.065 407 HE1 TYR 51 HE1 TYR 51 0.915 -13.595 -7.645 408 HE2 TYR 51 HE2 TYR 51 -0.608 -16.814 -5.377 409 HH TYR 51 HH TYR 51 1.451 -16.488 -7.501 410 H THR 52 HN THR 52 -3.441 -11.331 -8.466 411 HA THR 52 HA THR 52 -1.671 -12.646 -10.246 412 HB THR 52 HB THR 52 -3.739 -13.419 -11.308 413 HG1 THR 52 HG1 THR 52 -2.855 -13.110 -13.197 414 1HG2 THR 52 HG21 THR 52 -4.579 -10.992 -12.541 415 2HG2 THR 52 HG22 THR 52 -4.753 -10.851 -10.788 416 3HG2 THR 52 HG23 THR 52 -5.538 -12.175 -11.675 417 H HIS 53 HN HIS 53 -1.525 -10.766 -12.309 418 HA HIS 53 HA HIS 53 -0.975 -8.621 -12.796 419 1HB HIS 53 HB3 HIS 53 -2.298 -7.784 -10.204 420 2HB HIS 53 HB2 HIS 53 -1.838 -6.731 -11.553 421 HD1 HIS 53 HD1 HIS 53 -3.166 -8.137 -13.907 422 HD2 HIS 53 HD2 HIS 53 -4.925 -7.831 -10.152 423 HE1 HIS 53 HE1 HIS 53 -5.630 -8.242 -14.298 424 HE2 HIS 53 HE2 HIS 53 -6.698 -7.817 -12.066 425 H TYR 54 HN TYR 54 -0.698 -8.873 -9.265 426 HA TYR 54 HA TYR 54 1.034 -8.523 -7.812 427 1HB TYR 54 HB3 TYR 54 2.751 -8.596 -10.308 428 2HB TYR 54 HB2 TYR 54 3.419 -8.314 -8.668 429 HD1 TYR 54 HD1 TYR 54 1.166 -10.780 -10.354 430 HD2 TYR 54 HD2 TYR 54 4.361 -10.117 -7.683 431 HE1 TYR 54 HE1 TYR 54 1.324 -13.220 -9.964 432 HE2 TYR 54 HE2 TYR 54 4.679 -12.548 -7.415 433 HH TYR 54 HH TYR 54 2.704 -14.620 -7.731 434 H SER 55 HN SER 55 -0.564 -6.757 -8.195 435 HA SER 55 HA SER 55 -0.114 -4.310 -9.382 436 1HB SER 55 HB3 SER 55 -1.604 -3.542 -7.336 437 2HB SER 55 HB2 SER 55 -2.286 -4.557 -8.618 438 HG SER 55 HG SER 55 -1.187 -5.514 -6.130 439 H SER 56 HN SER 56 0.441 -2.296 -8.660 440 HA SER 56 HA SER 56 1.769 -1.838 -6.164 441 1HB SER 56 HB2 SER 56 3.870 -1.021 -7.286 442 2HB SER 56 HB3 SER 56 3.666 -2.760 -7.234 443 HG SER 56 HG SER 56 2.544 -2.158 -9.434 444 H ILE 57 HN ILE 57 2.057 0.413 -5.735 445 HA ILE 57 HA ILE 57 0.686 2.122 -7.682 446 HB ILE 57 HB ILE 57 0.344 1.987 -4.728 447 1HG1 ILE 57 HG12 ILE 57 -1.121 0.660 -6.271 448 2HG1 ILE 57 HG13 ILE 57 -1.981 1.753 -5.193 449 1HG2 ILE 57 HG21 ILE 57 0.232 4.355 -6.423 450 2HG2 ILE 57 HG22 ILE 57 -1.249 4.087 -5.459 451 3HG2 ILE 57 HG23 ILE 57 0.311 4.278 -4.663 452 1HD1 ILE 57 HD11 ILE 57 -1.378 3.000 -7.693 453 2HD1 ILE 57 HD12 ILE 57 -2.258 1.512 -7.930 454 3HD1 ILE 57 HD13 ILE 57 -2.916 2.778 -6.935 455 H ARG 58 HN ARG 58 1.960 3.545 -8.483 456 HA ARG 58 HA ARG 58 4.495 4.329 -7.412 457 1HB ARG 58 HB2 ARG 58 4.528 5.876 -9.263 458 2HB ARG 58 HB3 ARG 58 3.887 4.330 -9.855 459 1HG ARG 58 HG3 ARG 58 1.600 5.285 -9.554 460 2HG ARG 58 HG2 ARG 58 2.325 6.853 -9.206 461 1HD ARG 58 HD2 ARG 58 2.604 5.262 -11.742 462 2HD ARG 58 HD3 ARG 58 1.613 6.742 -11.532 463 HE ARG 58 HE ARG 58 4.186 7.448 -10.836 464 1HH1 ARG 58 HH11 ARG 58 2.570 6.583 -14.009 465 2HH1 ARG 58 HH12 ARG 58 4.220 6.072 -14.389 466 1HH2 ARG 58 HH22 ARG 58 4.951 9.117 -12.713 467 2HH2 ARG 58 HH21 ARG 58 5.959 7.834 -13.200 468 H LEU 59 HN LEU 59 5.038 6.216 -6.311 469 HA LEU 59 HA LEU 59 2.824 7.608 -5.014 470 1HB LEU 59 HB2 LEU 59 5.718 7.424 -4.579 471 2HB LEU 59 HB3 LEU 59 4.932 8.934 -4.056 472 HG LEU 59 HG LEU 59 4.686 7.718 -2.145 473 1HD1 LEU 59 HD21 LEU 59 2.463 6.715 -3.835 474 2HD1 LEU 59 HD22 LEU 59 2.569 6.334 -2.103 475 3HD1 LEU 59 HD23 LEU 59 2.439 8.052 -2.649 476 1HD2 LEU 59 HD11 LEU 59 5.839 5.799 -2.246 477 2HD2 LEU 59 HD12 LEU 59 4.208 5.050 -2.585 478 3HD2 LEU 59 HD13 LEU 59 5.327 5.494 -3.903 479 H ASP 60 HN ASP 60 5.119 8.072 -7.505 480 HA ASP 60 HA ASP 60 5.711 10.507 -7.984 481 1HB ASP 60 HB3 ASP 60 6.052 8.772 -9.634 482 2HB ASP 60 HB2 ASP 60 4.379 8.799 -10.095 483 H LYS 61 HN LYS 61 2.640 9.685 -9.537 484 HA LYS 61 HA LYS 61 1.505 12.123 -8.493 485 1HB LYS 61 HB2 LYS 61 2.516 11.886 -11.202 486 2HB LYS 61 HB3 LYS 61 0.837 12.362 -11.105 487 1HG LYS 61 HG2 LYS 61 1.418 14.263 -9.674 488 2HG LYS 61 HG3 LYS 61 3.077 13.716 -9.625 489 1HD LYS 61 HD3 LYS 61 3.305 14.044 -12.018 490 2HD LYS 61 HD2 LYS 61 1.634 14.584 -12.146 491 1HE LYS 61 HE2 LYS 61 3.261 16.428 -12.083 492 2HE LYS 61 HE3 LYS 61 2.037 16.539 -10.812 493 1HZ LYS 61 HZ1 LYS 61 4.369 16.995 -10.091 494 2HZ LYS 61 HZ2 LYS 61 4.741 15.389 -10.419 495 3HZ LYS 61 HZ3 LYS 61 3.617 15.697 -9.197 496 H TYR 62 HN TYR 62 -0.208 11.224 -7.530 497 HA TYR 62 HA TYR 62 -2.351 10.439 -9.232 498 1HB TYR 62 HB3 TYR 62 -2.896 8.331 -8.214 499 2HB TYR 62 HB2 TYR 62 -1.178 8.271 -8.696 500 HD1 TYR 62 HD1 TYR 62 -3.495 8.615 -5.793 501 HD2 TYR 62 HD2 TYR 62 0.524 7.931 -7.107 502 HE1 TYR 62 HE1 TYR 62 -2.896 7.997 -3.506 503 HE2 TYR 62 HE2 TYR 62 1.115 7.323 -4.781 504 HH TYR 62 HH TYR 62 -0.430 6.326 -2.627 505 H ASN 63 HN ASN 63 -4.408 10.333 -7.978 506 HA ASN 63 HA ASN 63 -4.296 12.347 -5.840 507 1HB ASN 63 HB2 ASN 63 -5.748 12.719 -7.911 508 2HB ASN 63 HB3 ASN 63 -6.703 11.364 -7.408 509 1HD2 ASN 63 HD21 ASN 63 -5.375 13.410 -4.901 510 2HD2 ASN 63 HD22 ASN 63 -6.904 14.210 -4.548 511 H ILE 64 HN ILE 64 -4.629 11.743 -3.822 512 HA ILE 64 HA ILE 64 -6.173 9.250 -3.364 513 HB ILE 64 HB ILE 64 -3.675 8.954 -2.993 514 1HG1 ILE 64 HG12 ILE 64 -5.191 8.575 -0.421 515 2HG1 ILE 64 HG13 ILE 64 -5.528 7.621 -1.847 516 1HG2 ILE 64 HG21 ILE 64 -2.607 10.527 -1.986 517 2HG2 ILE 64 HG22 ILE 64 -4.064 11.276 -1.344 518 3HG2 ILE 64 HG23 ILE 64 -3.287 9.967 -0.464 519 1HD1 ILE 64 HD11 ILE 64 -3.849 6.976 0.080 520 2HD1 ILE 64 HD12 ILE 64 -3.771 6.386 -1.623 521 3HD1 ILE 64 HD13 ILE 64 -2.714 7.754 -1.090 522 H ARG 65 HN ARG 65 -7.739 9.329 -1.936 523 HA ARG 65 HA ARG 65 -7.840 11.599 -0.041 524 1HB ARG 65 HB2 ARG 65 -10.191 10.712 -1.663 525 2HB ARG 65 HB3 ARG 65 -10.119 12.084 -0.601 526 1HG ARG 65 HG3 ARG 65 -8.515 13.148 -2.097 527 2HG ARG 65 HG2 ARG 65 -8.634 11.805 -3.200 528 1HD ARG 65 HD3 ARG 65 -11.045 13.298 -2.377 529 2HD ARG 65 HD2 ARG 65 -10.026 13.910 -3.624 530 HE ARG 65 HE ARG 65 -10.579 11.262 -4.245 531 1HH1 ARG 65 HH12 ARG 65 -13.110 13.718 -3.595 532 2HH1 ARG 65 HH11 ARG 65 -12.708 14.355 -5.151 533 1HH2 ARG 65 HH21 ARG 65 -13.110 10.845 -5.445 534 2HH2 ARG 65 HH22 ARG 65 -12.236 11.765 -6.688 535 H GLN 66 HN GLN 66 -9.906 11.173 1.404 536 HA GLN 66 HA GLN 66 -10.237 8.341 1.937 537 1HB GLN 66 HB2 GLN 66 -9.724 8.657 4.363 538 2HB GLN 66 HB3 GLN 66 -8.331 8.878 3.332 539 1HG GLN 66 HG3 GLN 66 -8.236 11.142 3.678 540 2HG GLN 66 HG2 GLN 66 -9.909 11.229 4.156 541 1HE2 GLN 66 HE21 GLN 66 -10.198 11.605 6.199 542 2HE2 GLN 66 HE22 GLN 66 -9.025 11.438 7.400 543 H HIS 67 HN HIS 67 -12.242 7.861 2.887 544 HA HIS 67 HA HIS 67 -13.897 10.196 3.639 545 1HB HIS 67 HB3 HIS 67 -14.671 7.752 2.032 546 2HB HIS 67 HB2 HIS 67 -15.803 8.993 2.620 547 HD1 HIS 67 HD1 HIS 67 -15.073 11.550 1.687 548 HD2 HIS 67 HD2 HIS 67 -13.970 8.165 -0.488 549 HE1 HIS 67 HE1 HIS 67 -14.589 12.395 -0.660 550 HE2 HIS 67 HE2 HIS 67 -14.158 10.263 -2.023 551 H THR 68 HN THR 68 -14.302 10.049 5.732 552 HA THR 68 HA THR 68 -14.382 7.394 7.004 553 HB THR 68 HB THR 68 -14.764 9.944 8.571 554 HG1 THR 68 HG1 THR 68 -12.163 9.451 8.384 555 1HG2 THR 68 HG21 THR 68 -14.386 7.353 9.337 556 2HG2 THR 68 HG22 THR 68 -14.043 8.793 10.320 557 3HG2 THR 68 HG23 THR 68 -12.720 7.981 9.388 558 H THR 69 HN THR 69 -16.211 9.547 8.802 559 HA THR 69 HA THR 69 -18.402 9.901 9.128 560 HB THR 69 HB THR 69 -19.023 8.688 6.416 561 HG1 THR 69 HG1 THR 69 -18.315 10.463 5.458 562 1HG2 THR 69 HG21 THR 69 -20.407 11.023 7.793 563 2HG2 THR 69 HG22 THR 69 -20.890 9.278 8.049 564 3HG2 THR 69 HG23 THR 69 -20.934 10.031 6.365 565 H ASP 70 HN ASP 70 -17.892 6.853 7.439 566 HA ASP 70 HA ASP 70 -19.405 5.491 9.589 567 1HB ASP 70 HB3 ASP 70 -20.618 5.402 7.426 568 2HB ASP 70 HB2 ASP 70 -19.211 4.582 6.698 569 H GLU 71 HN GLU 71 -17.150 4.616 6.970 570 HA GLU 71 HA GLU 71 -15.418 3.384 9.011 571 1HB GLU 71 HB3 GLU 71 -15.821 2.214 6.242 572 2HB GLU 71 HB2 GLU 71 -14.999 1.480 7.638 573 1HG GLU 71 HG3 GLU 71 -17.208 1.402 8.804 574 2HG GLU 71 HG2 GLU 71 -17.947 1.919 7.311 575 H ASP 72 HN ASP 72 -13.128 3.634 8.582 576 HA ASP 72 HA ASP 72 -12.380 5.882 7.034 577 1HB ASP 72 HB2 ASP 72 -10.541 3.667 8.053 578 2HB ASP 72 HB3 ASP 72 -10.088 5.325 7.694 579 H THR 73 HN THR 73 -12.834 5.655 4.883 580 HA THR 73 HA THR 73 -11.769 3.324 3.476 581 HB THR 73 HB THR 73 -13.690 5.422 2.468 582 HG1 THR 73 HG1 THR 73 -14.315 4.082 4.392 583 1HG2 THR 73 HG21 THR 73 -13.930 2.701 1.491 584 2HG2 THR 73 HG22 THR 73 -12.453 3.571 1.020 585 3HG2 THR 73 HG23 THR 73 -14.059 4.279 0.637 586 H ILE 74 HN ILE 74 -9.933 3.585 2.469 587 HA ILE 74 HA ILE 74 -9.045 6.261 1.675 588 HB ILE 74 HB ILE 74 -7.562 3.637 1.923 589 1HG1 ILE 74 HG12 ILE 74 -7.821 4.955 3.989 590 2HG1 ILE 74 HG13 ILE 74 -6.152 4.875 3.486 591 1HG2 ILE 74 HG21 ILE 74 -5.532 4.892 1.182 592 2HG2 ILE 74 HG22 ILE 74 -6.721 4.478 -0.044 593 3HG2 ILE 74 HG23 ILE 74 -6.626 6.128 0.606 594 1HD1 ILE 74 HD11 ILE 74 -7.935 7.203 2.817 595 2HD1 ILE 74 HD12 ILE 74 -6.953 7.121 4.270 596 3HD1 ILE 74 HD13 ILE 74 -6.188 7.077 2.724 597 H VAL 75 HN VAL 75 -9.297 6.857 -0.382 598 HA VAL 75 HA VAL 75 -9.611 4.770 -2.415 599 HB VAL 75 HB VAL 75 -10.980 6.380 -3.663 600 1HG1 VAL 75 HG11 VAL 75 -12.007 4.645 -2.171 601 2HG1 VAL 75 HG12 VAL 75 -12.053 5.843 -0.837 602 3HG1 VAL 75 HG13 VAL 75 -12.977 6.106 -2.324 603 1HG2 VAL 75 HG21 VAL 75 -10.477 8.038 -1.203 604 2HG2 VAL 75 HG22 VAL 75 -10.365 8.530 -2.937 605 3HG2 VAL 75 HG23 VAL 75 -11.967 8.274 -2.158 606 H LEU 76 HN LEU 76 -8.633 5.017 -4.396 607 HA LEU 76 HA LEU 76 -6.749 7.269 -4.557 608 1HB LEU 76 HB2 LEU 76 -6.328 4.400 -5.472 609 2HB LEU 76 HB3 LEU 76 -5.180 5.740 -5.741 610 HG LEU 76 HG LEU 76 -5.215 5.949 -3.098 611 1HD1 LEU 76 HD11 LEU 76 -5.824 2.989 -3.324 612 2HD1 LEU 76 HD12 LEU 76 -5.736 4.029 -1.891 613 3HD1 LEU 76 HD13 LEU 76 -7.097 4.175 -3.005 614 1HD2 LEU 76 HD21 LEU 76 -3.146 5.062 -3.301 615 2HD2 LEU 76 HD22 LEU 76 -3.763 3.456 -3.770 616 3HD2 LEU 76 HD23 LEU 76 -3.577 4.709 -4.996 617 H GLN 77 HN GLN 77 -7.293 8.545 -6.158 618 HA GLN 77 HA GLN 77 -8.587 7.449 -8.562 619 1HB GLN 77 HB2 GLN 77 -8.578 10.195 -7.373 620 2HB GLN 77 HB3 GLN 77 -9.127 9.868 -9.007 621 1HG GLN 77 HG3 GLN 77 -11.072 9.917 -7.672 622 2HG GLN 77 HG2 GLN 77 -10.746 8.218 -8.008 623 1HE2 GLN 77 HE21 GLN 77 -11.251 7.017 -6.441 624 2HE2 GLN 77 HE22 GLN 77 -11.126 7.383 -4.771 625 HA PRO 78 HA PRO 78 -4.347 8.187 -10.082 626 1HB PRO 78 HB3 PRO 78 -5.384 6.612 -12.304 627 2HB PRO 78 HB2 PRO 78 -3.956 6.365 -11.404 628 1HG PRO 78 HG3 PRO 78 -6.050 4.762 -11.090 629 2HG PRO 78 HG2 PRO 78 -5.119 5.256 -9.684 630 1HD PRO 78 HD3 PRO 78 -7.711 6.307 -10.577 631 2HD PRO 78 HD2 PRO 78 -7.146 5.932 -8.935 632 H GLN 79 HN GLN 79 -3.621 9.753 -11.360 633 HA GLN 79 HA GLN 79 -5.606 11.030 -13.090 634 1HB GLN 79 HB2 GLN 79 -3.965 12.918 -13.210 635 2HB GLN 79 HB3 GLN 79 -4.559 12.579 -11.576 636 1HG GLN 79 HG3 GLN 79 -2.508 11.547 -10.954 637 2HG GLN 79 HG2 GLN 79 -1.965 11.504 -12.614 638 1HE2 GLN 79 HE21 GLN 79 -0.551 12.975 -13.163 639 2HE2 GLN 79 HE22 GLN 79 -0.557 14.590 -12.630 640 H GLU 80 HN GLU 80 -3.883 8.598 -13.492 641 HA GLU 80 HA GLU 80 -2.990 9.289 -16.185 642 1HB GLU 80 HB3 GLU 80 -1.596 7.227 -14.418 643 2HB GLU 80 HB2 GLU 80 -0.987 7.894 -15.932 644 1HG GLU 80 HG3 GLU 80 -1.274 9.449 -13.394 645 2HG GLU 80 HG2 GLU 80 0.193 8.655 -13.938 646 HA PRO 81 HA PRO 81 -5.792 6.020 -17.223 647 1HB PRO 81 HB2 PRO 81 -4.602 5.159 -19.531 648 2HB PRO 81 HB3 PRO 81 -5.651 6.502 -19.432 649 1HG PRO 81 HG3 PRO 81 -2.667 6.396 -19.553 650 2HG PRO 81 HG2 PRO 81 -3.835 7.619 -20.259 651 1HD PRO 81 HD2 PRO 81 -2.340 8.077 -18.019 652 2HD PRO 81 HD3 PRO 81 -3.928 8.827 -18.297 653 H GLY 82 HN GLY 82 -2.365 5.369 -17.163 654 1HA GLY 82 HA1 GLY 82 -2.776 2.493 -16.741 655 2HA GLY 82 HA2 GLY 82 -1.256 3.268 -17.109 656 H LEU 83 HN LEU 83 -3.574 2.411 -14.728 657 HA LEU 83 HA LEU 83 -1.846 2.208 -12.562 658 1HB LEU 83 HB3 LEU 83 -1.739 4.791 -12.999 659 2HB LEU 83 HB2 LEU 83 -3.355 4.816 -12.260 660 HG LEU 83 HG LEU 83 -2.451 3.869 -10.221 661 1HD1 LEU 83 HD11 LEU 83 -0.636 2.551 -11.098 662 2HD1 LEU 83 HD12 LEU 83 0.247 4.017 -11.639 663 3HD1 LEU 83 HD13 LEU 83 0.015 3.688 -9.908 664 1HD2 LEU 83 HD21 LEU 83 -0.913 5.834 -9.701 665 2HD2 LEU 83 HD22 LEU 83 -1.249 6.351 -11.321 666 3HD2 LEU 83 HD23 LEU 83 -2.516 6.138 -10.145 667 HA PRO 84 HA PRO 84 -5.822 0.500 -11.478 668 1HB PRO 84 HB2 PRO 84 -5.115 -0.545 -9.027 669 2HB PRO 84 HB3 PRO 84 -4.826 -1.338 -10.592 670 1HG PRO 84 HG3 PRO 84 -2.948 0.128 -8.806 671 2HG PRO 84 HG2 PRO 84 -2.634 -1.205 -9.907 672 1HD PRO 84 HD2 PRO 84 -1.991 1.455 -10.381 673 2HD PRO 84 HD3 PRO 84 -2.153 0.193 -11.653 674 H SER 85 HN SER 85 -7.565 1.261 -10.617 675 HA SER 85 HA SER 85 -7.321 3.324 -8.532 676 1HB SER 85 HB2 SER 85 -9.780 3.060 -10.232 677 2HB SER 85 HB3 SER 85 -9.027 4.512 -9.547 678 HG SER 85 HG SER 85 -7.228 3.472 -11.180 679 H PHE 86 HN PHE 86 -7.739 2.390 -6.625 680 HA PHE 86 HA PHE 86 -10.258 0.870 -6.397 681 1HB PHE 86 HB2 PHE 86 -9.234 -0.880 -5.101 682 2HB PHE 86 HB3 PHE 86 -8.415 -0.766 -6.650 683 HD1 PHE 86 HD1 PHE 86 -6.327 1.071 -6.452 684 HD2 PHE 86 HD2 PHE 86 -7.888 -1.377 -3.368 685 HE1 PHE 86 HE1 PHE 86 -4.209 1.296 -5.267 686 HE2 PHE 86 HE2 PHE 86 -5.797 -1.186 -2.151 687 HZ PHE 86 HZ PHE 86 -3.925 0.092 -3.077 688 H ARG 87 HN ARG 87 -10.155 0.135 -3.840 689 HA ARG 87 HA ARG 87 -9.640 2.499 -2.225 690 1HB ARG 87 HB3 ARG 87 -12.104 1.562 -1.267 691 2HB ARG 87 HB2 ARG 87 -11.743 3.115 -2.059 692 1HG ARG 87 HG2 ARG 87 -12.335 0.733 -3.753 693 2HG ARG 87 HG3 ARG 87 -13.656 1.596 -2.945 694 1HD ARG 87 HD2 ARG 87 -12.625 3.715 -3.992 695 2HD ARG 87 HD3 ARG 87 -11.733 2.587 -5.031 696 HE ARG 87 HE ARG 87 -14.540 2.078 -5.016 697 1HH1 ARG 87 HH12 ARG 87 -12.264 2.951 -7.693 698 2HH1 ARG 87 HH11 ARG 87 -12.586 4.602 -7.261 699 1HH2 ARG 87 HH21 ARG 87 -15.800 3.717 -6.920 700 2HH2 ARG 87 HH22 ARG 87 -15.025 2.591 -8.069 701 H ILE 88 HN ILE 88 -9.322 1.971 -0.015 702 HA ILE 88 HA ILE 88 -9.267 -0.900 0.543 703 HB ILE 88 HB ILE 88 -7.331 -0.233 2.174 704 1HG1 ILE 88 HG12 ILE 88 -7.029 1.876 0.055 705 2HG1 ILE 88 HG13 ILE 88 -7.490 2.195 1.721 706 1HG2 ILE 88 HG21 ILE 88 -7.525 -1.529 -0.241 707 2HG2 ILE 88 HG22 ILE 88 -6.250 -0.269 -0.538 708 3HG2 ILE 88 HG23 ILE 88 -6.064 -1.426 0.789 709 1HD1 ILE 88 HD11 ILE 88 -4.881 0.937 0.909 710 2HD1 ILE 88 HD12 ILE 88 -5.110 2.660 1.298 711 3HD1 ILE 88 HD13 ILE 88 -5.377 1.400 2.530 712 H LYS 89 HN LYS 89 -10.407 -1.558 2.253 713 HA LYS 89 HA LYS 89 -11.055 0.396 4.376 714 1HB LYS 89 HB2 LYS 89 -12.878 -1.820 3.249 715 2HB LYS 89 HB3 LYS 89 -13.265 -0.686 4.528 716 1HG LYS 89 HG3 LYS 89 -12.991 1.217 2.838 717 2HG LYS 89 HG2 LYS 89 -12.937 -0.104 1.586 718 1HD LYS 89 HD2 LYS 89 -15.208 0.863 1.840 719 2HD LYS 89 HD3 LYS 89 -15.209 -0.822 2.378 720 1HE LYS 89 HE2 LYS 89 -15.091 -0.083 4.686 721 2HE LYS 89 HE3 LYS 89 -14.934 1.607 4.183 722 1HZ LYS 89 HZ1 LYS 89 -17.118 1.802 3.615 723 2HZ LYS 89 HZ2 LYS 89 -17.249 0.637 4.862 724 3HZ LYS 89 HZ3 LYS 89 -17.284 0.134 3.273 725 HA PRO 90 HA PRO 90 -9.350 -2.892 6.849 726 1HB PRO 90 HB2 PRO 90 -9.800 -1.786 9.265 727 2HB PRO 90 HB3 PRO 90 -8.563 -1.197 8.187 728 1HG PRO 90 HG3 PRO 90 -11.295 -0.134 8.726 729 2HG PRO 90 HG2 PRO 90 -9.757 0.745 8.454 730 1HD PRO 90 HD2 PRO 90 -11.713 0.409 6.533 731 2HD PRO 90 HD3 PRO 90 -9.992 0.730 6.175 732 H LYS 91 HN LYS 91 -11.631 -3.729 5.820 733 HA LYS 91 HA LYS 91 -13.650 -4.176 7.833 734 1HB LYS 91 HB2 LYS 91 -13.328 -5.036 4.927 735 2HB LYS 91 HB3 LYS 91 -14.545 -5.771 5.997 736 1HG LYS 91 HG3 LYS 91 -15.298 -3.434 6.500 737 2HG LYS 91 HG2 LYS 91 -14.286 -2.912 5.141 738 1HD LYS 91 HD2 LYS 91 -15.637 -4.187 3.587 739 2HD LYS 91 HD3 LYS 91 -16.357 -5.113 4.916 740 1HE LYS 91 HE2 LYS 91 -16.806 -2.177 4.286 741 2HE LYS 91 HE3 LYS 91 -17.989 -3.511 4.026 742 1HZ LYS 91 HZ1 LYS 91 -17.863 -1.972 6.250 743 2HZ LYS 91 HZ2 LYS 91 -16.976 -3.349 6.777 744 3HZ LYS 91 HZ3 LYS 91 -18.606 -3.476 6.204 745 H ASP 92 HN ASP 92 -12.219 -5.126 9.255 746 HA ASP 92 HA ASP 92 -12.156 -8.010 9.190 747 1HB ASP 92 HB3 ASP 92 -9.997 -7.170 8.162 748 2HB ASP 92 HB2 ASP 92 -9.632 -6.447 9.758 749 H PHE 93 HN PHE 93 -10.338 -7.978 11.583 750 HA PHE 93 HA PHE 93 -12.359 -7.282 13.536 751 1HB PHE 93 HB3 PHE 93 -10.786 -9.205 13.840 752 2HB PHE 93 HB2 PHE 93 -9.436 -8.085 13.949 753 HD1 PHE 93 HD1 PHE 93 -12.840 -8.393 15.516 754 HD2 PHE 93 HD2 PHE 93 -8.634 -7.820 16.090 755 HE1 PHE 93 HE1 PHE 93 -13.186 -8.303 17.983 756 HE2 PHE 93 HE2 PHE 93 -9.039 -7.684 18.531 757 HZ PHE 93 HZ PHE 93 -11.285 -7.957 19.460 758 H GLU 94 HN GLU 94 -12.689 -5.171 14.005 759 HA GLU 94 HA GLU 94 -10.543 -3.247 13.678 760 1HB GLU 94 HB3 GLU 94 -13.035 -2.818 13.132 761 2HB GLU 94 HB2 GLU 94 -13.234 -2.621 14.923 762 1HG GLU 94 HG3 GLU 94 -11.506 -0.878 14.847 763 2HG GLU 94 HG2 GLU 94 -11.408 -1.045 13.068 764 H THR 95 HN THR 95 -9.728 -1.931 15.269 765 HA THR 95 HA THR 95 -8.786 -1.471 17.250 766 HB THR 95 HB THR 95 -10.904 -2.975 18.696 767 HG1 THR 95 HG1 THR 95 -11.976 -1.742 17.173 768 1HG2 THR 95 HG21 THR 95 -9.050 -0.761 19.283 769 2HG2 THR 95 HG22 THR 95 -9.641 -2.085 20.332 770 3HG2 THR 95 HG23 THR 95 -10.659 -0.684 20.030 771 H SER 96 HN SER 96 -7.300 -2.909 16.306 772 HA SER 96 HA SER 96 -6.635 -5.105 18.081 773 1HB SER 96 HB3 SER 96 -8.034 -5.998 16.169 774 2HB SER 96 HB2 SER 96 -6.741 -5.457 15.067 775 HG SER 96 HG SER 96 -6.752 -7.741 15.816 776 H GLU 97 HN GLU 97 -5.213 -5.266 15.084 777 HA GLU 97 HA GLU 97 -2.607 -4.797 15.770 778 1HB GLU 97 HB2 GLU 97 -3.695 -3.909 13.091 779 2HB GLU 97 HB3 GLU 97 -2.086 -4.532 13.451 780 1HG GLU 97 HG3 GLU 97 -3.013 -6.360 12.477 781 2HG GLU 97 HG2 GLU 97 -3.440 -6.657 14.167 782 H TYR 98 HN TYR 98 -5.071 -2.529 14.893 783 HA TYR 98 HA TYR 98 -5.340 -0.261 14.994 784 1HB TYR 98 HB3 TYR 98 -4.879 0.064 17.115 785 2HB TYR 98 HB2 TYR 98 -3.524 -1.032 17.107 786 HD1 TYR 98 HD1 TYR 98 -4.524 2.430 16.236 787 HD2 TYR 98 HD2 TYR 98 -1.362 -0.231 17.189 788 HE1 TYR 98 HE1 TYR 98 -2.967 4.357 16.392 789 HE2 TYR 98 HE2 TYR 98 0.225 1.666 17.277 790 HH TYR 98 HH TYR 98 -0.084 4.274 17.817 791 H VAL 99 HN VAL 99 -2.422 -1.658 13.965 792 HA VAL 99 HA VAL 99 -1.232 0.739 12.855 793 HB VAL 99 HB VAL 99 0.270 -1.033 13.644 794 1HG1 VAL 99 HG11 VAL 99 -0.233 -2.862 11.438 795 2HG1 VAL 99 HG12 VAL 99 0.105 -3.173 13.125 796 3HG1 VAL 99 HG13 VAL 99 -1.545 -2.807 12.640 797 1HG2 VAL 99 HG21 VAL 99 0.244 0.158 11.015 798 2HG2 VAL 99 HG22 VAL 99 1.592 -0.167 12.107 799 3HG2 VAL 99 HG23 VAL 99 1.034 -1.385 10.970 800 H ARG 100 HN ARG 100 -3.229 -1.942 11.993 801 HA ARG 100 HA ARG 100 -3.185 -1.760 9.180 802 1HB ARG 100 HB2 ARG 100 -4.303 -3.599 10.496 803 2HB ARG 100 HB3 ARG 100 -5.574 -2.438 10.916 804 1HG ARG 100 HG2 ARG 100 -6.139 -2.221 8.501 805 2HG ARG 100 HG3 ARG 100 -4.790 -3.351 8.120 806 1HD ARG 100 HD3 ARG 100 -6.869 -4.578 8.193 807 2HD ARG 100 HD2 ARG 100 -5.932 -4.991 9.611 808 HE ARG 100 HE ARG 100 -7.925 -2.882 9.886 809 1HH1 ARG 100 HH11 ARG 100 -6.947 -5.621 11.838 810 2HH1 ARG 100 HH12 ARG 100 -8.056 -6.677 10.925 811 1HH2 ARG 100 HH22 ARG 100 -10.157 -3.809 10.837 812 2HH2 ARG 100 HH21 ARG 100 -9.459 -4.363 12.344 813 H LYS 101 HN LYS 101 -5.367 -0.153 11.524 814 HA LYS 101 HA LYS 101 -6.590 1.480 9.478 815 1HB LYS 101 HB3 LYS 101 -6.859 1.334 12.472 816 2HB LYS 101 HB2 LYS 101 -7.449 2.691 11.585 817 1HG LYS 101 HG2 LYS 101 -8.806 1.183 10.207 818 2HG LYS 101 HG3 LYS 101 -8.267 -0.189 11.220 819 1HD LYS 101 HD3 LYS 101 -10.427 0.593 11.931 820 2HD LYS 101 HD2 LYS 101 -9.207 0.933 13.229 821 1HE LYS 101 HE2 LYS 101 -9.129 3.282 12.658 822 2HE LYS 101 HE3 LYS 101 -10.013 2.981 11.159 823 1HZ LYS 101 HZ1 LYS 101 -11.726 3.700 12.313 824 2HZ LYS 101 HZ2 LYS 101 -11.043 3.343 13.831 825 3HZ LYS 101 HZ3 LYS 101 -11.771 2.140 12.889 826 H ALA 102 HN ALA 102 -3.886 1.735 11.657 827 HA ALA 102 HA ALA 102 -3.541 4.431 11.885 828 1HB ALA 102 HB1 ALA 102 -1.636 3.844 12.856 829 2HB ALA 102 HB2 ALA 102 -2.002 2.193 12.436 830 3HB ALA 102 HB3 ALA 102 -0.957 3.161 11.413 831 H TRP 103 HN TRP 103 -2.649 2.273 9.245 832 HA TRP 103 HA TRP 103 -1.138 3.830 7.633 833 1HB TRP 103 HB3 TRP 103 -3.113 1.672 6.992 834 2HB TRP 103 HB2 TRP 103 -2.347 2.619 5.713 835 HD1 TRP 103 HD1 TRP 103 -1.131 0.671 8.822 836 HE1 TRP 103 HE1 TRP 103 1.059 -0.522 8.204 837 HE3 TRP 103 HE3 TRP 103 -0.647 2.411 4.113 838 HZ2 TRP 103 HZ2 TRP 103 2.801 -0.575 5.993 839 HZ3 TRP 103 HZ3 TRP 103 1.343 1.752 2.808 840 HH2 TRP 103 HH2 TRP 103 2.998 0.255 3.715 841 H LEU 104 HN LEU 104 -4.378 4.596 8.417 842 HA LEU 104 HA LEU 104 -5.117 6.122 6.107 843 1HB LEU 104 HB2 LEU 104 -5.869 6.122 9.020 844 2HB LEU 104 HB3 LEU 104 -6.365 7.501 8.041 845 HG LEU 104 HG LEU 104 -8.049 5.668 8.433 846 1HD1 LEU 104 HD21 LEU 104 -7.441 6.305 5.554 847 2HD1 LEU 104 HD22 LEU 104 -9.026 5.954 6.268 848 3HD1 LEU 104 HD23 LEU 104 -8.184 7.435 6.681 849 1HD2 LEU 104 HD11 LEU 104 -7.842 3.588 7.564 850 2HD2 LEU 104 HD12 LEU 104 -6.967 4.152 6.144 851 3HD2 LEU 104 HD13 LEU 104 -6.115 3.934 7.683 852 H ARG 105 HN ARG 105 -3.483 6.711 9.137 853 HA ARG 105 HA ARG 105 -2.829 9.483 8.735 854 1HB ARG 105 HB3 ARG 105 -2.765 8.664 10.963 855 2HB ARG 105 HB2 ARG 105 -1.636 7.360 10.485 856 1HG ARG 105 HG3 ARG 105 0.193 8.777 10.386 857 2HG ARG 105 HG2 ARG 105 -0.808 10.209 10.204 858 1HD ARG 105 HD2 ARG 105 -0.761 8.572 12.704 859 2HD ARG 105 HD3 ARG 105 0.346 9.914 12.477 860 HE ARG 105 HE ARG 105 -2.407 10.091 13.172 861 1HH1 ARG 105 HH11 ARG 105 0.004 12.394 11.416 862 2HH1 ARG 105 HH12 ARG 105 -0.031 12.776 13.151 863 1HH2 ARG 105 HH21 ARG 105 -3.604 12.205 12.316 864 2HH2 ARG 105 HH22 ARG 105 -2.694 13.127 13.499 865 H ASP 106 HN ASP 106 -0.948 6.513 8.194 866 HA ASP 106 HA ASP 106 1.362 7.818 7.282 867 1HB ASP 106 HB2 ASP 106 0.284 5.043 6.972 868 2HB ASP 106 HB3 ASP 106 1.766 5.484 6.147 869 H ILE 107 HN ILE 107 -1.630 7.256 5.742 870 HA ILE 107 HA ILE 107 -0.527 7.621 3.056 871 HB ILE 107 HB ILE 107 -3.153 6.817 4.225 872 1HG1 ILE 107 HG12 ILE 107 -3.209 5.299 2.358 873 2HG1 ILE 107 HG13 ILE 107 -1.908 6.191 1.545 874 1HG2 ILE 107 HG21 ILE 107 -3.629 8.985 3.046 875 2HG2 ILE 107 HG22 ILE 107 -3.168 8.144 1.536 876 3HG2 ILE 107 HG23 ILE 107 -4.550 7.580 2.535 877 1HD1 ILE 107 HD11 ILE 107 -1.393 3.946 2.814 878 2HD1 ILE 107 HD12 ILE 107 -0.270 5.308 2.921 879 3HD1 ILE 107 HD13 ILE 107 -1.404 5.003 4.216 880 H ALA 108 HN ALA 108 -2.218 9.349 5.591 881 HA ALA 108 HA ALA 108 -2.849 11.675 4.064 882 1HB ALA 108 HB1 ALA 108 -2.473 11.616 7.047 883 2HB ALA 108 HB2 ALA 108 -3.496 12.708 6.072 884 3HB ALA 108 HB3 ALA 108 -3.916 10.978 6.286 885 H GLU 109 HN GLU 109 -0.029 10.408 5.457 886 HA GLU 109 HA GLU 109 1.623 12.591 4.532 887 1HB GLU 109 HB2 GLU 109 2.696 12.682 6.928 888 2HB GLU 109 HB3 GLU 109 1.324 13.705 6.534 889 1HG GLU 109 HG3 GLU 109 -0.169 11.952 7.541 890 2HG GLU 109 HG2 GLU 109 1.303 11.193 8.156 891 H GLU 110 HN GLU 110 2.370 10.886 3.287 892 HA GLU 110 HA GLU 110 3.419 8.477 4.345 893 1HB GLU 110 HB3 GLU 110 4.428 9.718 1.809 894 2HB GLU 110 HB2 GLU 110 4.290 8.042 2.193 895 1HG GLU 110 HG2 GLU 110 2.504 8.218 0.818 896 2HG GLU 110 HG3 GLU 110 1.753 8.665 2.326 897 H GLN 111 HN GLN 111 5.744 7.825 4.449 898 HA GLN 111 HA GLN 111 7.247 9.730 5.815 899 1HB GLN 111 HB2 GLN 111 7.867 6.983 4.888 900 2HB GLN 111 HB3 GLN 111 9.106 7.976 5.663 901 1HG GLN 111 HG3 GLN 111 7.802 8.233 7.649 902 2HG GLN 111 HG2 GLN 111 6.447 7.399 6.877 903 1HE2 GLN 111 HE21 GLN 111 6.169 5.573 7.909 904 2HE2 GLN 111 HE22 GLN 111 7.390 4.486 8.334 905 H GLU 112 HN GLU 112 6.687 9.518 2.632 906 HA GLU 112 HA GLU 112 9.201 10.155 1.460 907 1HB GLU 112 HB2 GLU 112 6.373 10.740 0.621 908 2HB GLU 112 HB3 GLU 112 7.759 11.184 -0.364 909 1HG GLU 112 HG2 GLU 112 7.292 8.372 0.493 910 2HG GLU 112 HG3 GLU 112 6.553 9.020 -0.928 911 H LYS 113 HN LYS 113 6.694 11.808 3.175 912 HA LYS 113 HA LYS 113 7.729 14.456 2.737 913 1HB LYS 113 HB3 LYS 113 5.535 13.312 4.438 914 2HB LYS 113 HB2 LYS 113 5.986 15.009 4.570 915 1HG LYS 113 HG2 LYS 113 4.061 14.744 3.148 916 2HG LYS 113 HG3 LYS 113 5.453 15.372 2.242 917 1HD LYS 113 HD2 LYS 113 5.818 13.139 1.363 918 2HD LYS 113 HD3 LYS 113 4.465 12.484 2.316 919 1HE LYS 113 HE3 LYS 113 4.231 14.671 0.243 920 2HE LYS 113 HE2 LYS 113 3.983 12.959 -0.105 921 1HZ LYS 113 HZ1 LYS 113 2.211 12.957 1.614 922 2HZ LYS 113 HZ2 LYS 113 1.893 14.023 0.286 923 3HZ LYS 113 HZ3 LYS 113 2.452 14.647 1.798 924 H TYR 114 HN TYR 114 7.637 12.094 5.332 925 HA TYR 114 HA TYR 114 8.634 13.546 7.412 926 1HB TYR 114 HB3 TYR 114 7.728 11.219 7.498 927 2HB TYR 114 HB2 TYR 114 9.242 10.657 6.810 928 HD1 TYR 114 HD1 TYR 114 11.349 10.884 8.149 929 HD2 TYR 114 HD2 TYR 114 7.531 11.653 9.798 930 HE1 TYR 114 HE1 TYR 114 12.285 10.654 10.410 931 HE2 TYR 114 HE2 TYR 114 8.396 11.394 12.075 932 HH TYR 114 HH TYR 114 10.538 10.118 13.087 933 H ALA 115 HN ALA 115 10.567 11.324 5.372 934 HA ALA 115 HA ALA 115 13.021 12.702 6.088 935 1HB ALA 115 HB1 ALA 115 12.783 10.161 5.948 936 2HB ALA 115 HB2 ALA 115 12.775 10.408 4.207 937 3HB ALA 115 HB3 ALA 115 14.154 10.879 5.153 938 H ALA 116 HN ALA 116 14.414 13.680 4.481 939 HA ALA 116 HA ALA 116 12.993 15.189 2.529 940 1HB ALA 116 HB1 ALA 116 15.924 14.728 3.119 941 2HB ALA 116 HB2 ALA 116 15.451 15.608 1.658 942 3HB ALA 116 HB3 ALA 116 14.962 16.234 3.261 943 H GLU 117 HN GLU 117 13.836 15.198 0.170 944 HA GLU 117 HA GLU 117 13.215 12.671 -0.924 945 1HB GLU 117 HB3 GLU 117 12.507 14.802 -1.922 946 2HB GLU 117 HB2 GLU 117 14.195 15.147 -2.305 947 1HG GLU 117 HG3 GLU 117 14.220 13.395 -3.903 948 2HG GLU 117 HG2 GLU 117 12.699 12.708 -3.295 949 H ARG 118 HN ARG 118 14.970 11.577 0.175 950 HA ARG 118 HA ARG 118 17.059 10.905 -1.618 951 1HB ARG 118 HB2 ARG 118 17.982 12.953 -0.489 952 2HB ARG 118 HB3 ARG 118 17.846 12.189 1.020 953 1HG ARG 118 HG3 ARG 118 19.403 10.457 0.320 954 2HG ARG 118 HG2 ARG 118 19.608 11.297 -1.226 955 1HD ARG 118 HD2 ARG 118 21.214 12.448 -0.249 956 2HD ARG 118 HD3 ARG 118 19.975 13.236 0.751 957 HE ARG 118 HE ARG 118 21.962 11.373 1.555 958 1HH1 ARG 118 HH11 ARG 118 18.872 12.867 2.797 959 2HH1 ARG 118 HH12 ARG 118 18.477 11.344 3.493 960 1HH2 ARG 118 HH22 ARG 118 21.720 11.502 4.344 961 2HH2 ARG 118 HH21 ARG 118 20.624 10.183 4.254 962 H ASP 119 HN ASP 119 17.023 10.790 1.896 963 HA ASP 119 HA ASP 119 15.731 8.354 2.174 964 1HB ASP 119 HB3 ASP 119 17.874 7.510 1.232 965 2HB ASP 119 HB2 ASP 119 18.735 8.288 2.514 Start of MODEL 24 1 1H MET 1 HT1 MET 1 2.419 -6.939 19.772 2 2H MET 1 HT2 MET 1 3.446 -5.830 18.951 3 3H MET 1 HT3 MET 1 2.669 -7.086 18.082 4 HA MET 1 HA MET 1 0.533 -6.103 18.778 5 1HB MET 1 HB2 MET 1 1.542 -4.772 20.634 6 2HB MET 1 HB3 MET 1 2.346 -3.774 19.438 7 1HG MET 1 HG3 MET 1 0.173 -3.104 18.546 8 2HG MET 1 HG2 MET 1 -0.620 -4.078 19.784 9 1HE MET 1 HE1 MET 1 -1.188 -0.275 20.763 10 2HE MET 1 HE2 MET 1 -1.408 -1.255 19.315 11 3HE MET 1 HE3 MET 1 -2.020 -1.826 20.868 12 H GLY 2 HN GLY 2 -0.182 -6.034 16.748 13 1HA GLY 2 HA2 GLY 2 -0.500 -5.057 14.647 14 2HA GLY 2 HA1 GLY 2 0.858 -3.989 14.972 15 H ASP 3 HN ASP 3 2.661 -4.375 13.842 16 HA ASP 3 HA ASP 3 2.903 -6.803 12.280 17 1HB ASP 3 HB2 ASP 3 3.583 -4.309 11.667 18 2HB ASP 3 HB3 ASP 3 5.111 -4.789 12.413 19 H THR 4 HN THR 4 5.718 -7.140 12.256 20 HA THR 4 HA THR 4 6.536 -7.674 14.990 21 HB THR 4 HB THR 4 6.004 -9.904 13.015 22 HG1 THR 4 HG1 THR 4 4.354 -8.812 14.617 23 1HG2 THR 4 HG21 THR 4 6.485 -10.967 15.549 24 2HG2 THR 4 HG22 THR 4 7.814 -9.856 15.222 25 3HG2 THR 4 HG23 THR 4 7.454 -11.160 14.089 26 H GLY 5 HN GLY 5 8.441 -6.629 14.819 27 1HA GLY 5 HA2 GLY 5 10.744 -6.656 14.447 28 2HA GLY 5 HA1 GLY 5 10.507 -7.902 13.234 29 H LYS 6 HN LYS 6 12.215 -5.670 13.084 30 HA LYS 6 HA LYS 6 11.036 -3.855 11.136 31 1HB LYS 6 HB2 LYS 6 12.607 -3.051 12.907 32 2HB LYS 6 HB3 LYS 6 13.860 -4.065 12.219 33 1HG LYS 6 HG2 LYS 6 13.843 -2.759 10.191 34 2HG LYS 6 HG3 LYS 6 12.522 -1.766 10.815 35 1HD LYS 6 HD3 LYS 6 13.977 -1.053 12.680 36 2HD LYS 6 HD2 LYS 6 15.303 -2.011 12.001 37 1HE LYS 6 HE2 LYS 6 13.944 0.368 10.745 38 2HE LYS 6 HE3 LYS 6 15.589 0.305 11.375 39 1HZ LYS 6 HZ1 LYS 6 15.803 -1.607 9.624 40 2HZ LYS 6 HZ2 LYS 6 15.951 0.020 9.150 41 3HZ LYS 6 HZ3 LYS 6 14.494 -0.804 8.887 42 H LEU 7 HN LEU 7 10.575 -5.492 9.577 43 HA LEU 7 HA LEU 7 12.817 -6.921 8.385 44 1HB LEU 7 HB2 LEU 7 10.553 -7.970 8.898 45 2HB LEU 7 HB3 LEU 7 9.923 -7.043 7.554 46 HG LEU 7 HG LEU 7 11.449 -8.214 6.024 47 1HD1 LEU 7 HD11 LEU 7 12.423 -10.405 7.151 48 2HD1 LEU 7 HD12 LEU 7 13.327 -8.894 7.131 49 3HD1 LEU 7 HD13 LEU 7 12.445 -9.372 8.575 50 1HD2 LEU 7 HD21 LEU 7 10.304 -10.592 6.985 51 2HD2 LEU 7 HD22 LEU 7 9.215 -9.277 7.449 52 3HD2 LEU 7 HD23 LEU 7 9.666 -9.500 5.762 53 H GLY 8 HN GLY 8 13.166 -4.253 7.965 54 1HA GLY 8 HA1 GLY 8 13.687 -2.752 6.302 55 2HA GLY 8 HA2 GLY 8 13.386 -4.038 5.149 56 H ARG 9 HN ARG 9 10.879 -3.202 7.345 57 HA ARG 9 HA ARG 9 9.234 -2.321 5.131 58 1HB ARG 9 HB3 ARG 9 8.379 -2.379 8.017 59 2HB ARG 9 HB2 ARG 9 7.388 -2.548 6.580 60 1HG ARG 9 HG2 ARG 9 8.408 -4.745 6.164 61 2HG ARG 9 HG3 ARG 9 9.325 -4.573 7.653 62 1HD ARG 9 HD3 ARG 9 6.351 -4.294 7.680 63 2HD ARG 9 HD2 ARG 9 7.087 -5.894 7.680 64 HE ARG 9 HE ARG 9 7.676 -5.592 9.872 65 1HH1 ARG 9 HH12 ARG 9 5.654 -2.680 9.438 66 2HH1 ARG 9 HH11 ARG 9 7.087 -1.689 9.568 67 1HH2 ARG 9 HH21 ARG 9 8.348 -4.208 11.748 68 2HH2 ARG 9 HH22 ARG 9 7.185 -2.935 12.004 69 H ILE 10 HN ILE 10 10.684 -0.409 4.866 70 HA ILE 10 HA ILE 10 11.158 1.625 6.573 71 HB ILE 10 HB ILE 10 12.095 1.810 4.442 72 1HG1 ILE 10 HG13 ILE 10 9.971 3.957 4.368 73 2HG1 ILE 10 HG12 ILE 10 11.344 3.988 5.479 74 1HG2 ILE 10 HG21 ILE 10 9.575 0.909 3.515 75 2HG2 ILE 10 HG22 ILE 10 9.997 2.382 2.644 76 3HG2 ILE 10 HG23 ILE 10 11.104 1.012 2.650 77 1HD1 ILE 10 HD11 ILE 10 12.689 3.682 3.216 78 2HD1 ILE 10 HD12 ILE 10 11.251 4.464 2.562 79 3HD1 ILE 10 HD13 ILE 10 12.190 5.267 3.823 80 H ILE 11 HN ILE 11 8.093 1.223 4.776 81 HA ILE 11 HA ILE 11 6.982 3.401 6.386 82 HB ILE 11 HB ILE 11 5.717 1.983 4.031 83 1HG1 ILE 11 HG13 ILE 11 7.085 4.674 4.255 84 2HG1 ILE 11 HG12 ILE 11 7.693 3.267 3.382 85 1HG2 ILE 11 HG21 ILE 11 4.873 4.420 5.610 86 2HG2 ILE 11 HG22 ILE 11 4.152 3.922 4.065 87 3HG2 ILE 11 HG23 ILE 11 4.020 2.882 5.491 88 1HD1 ILE 11 HD11 ILE 11 5.216 3.667 2.288 89 2HD1 ILE 11 HD12 ILE 11 5.816 5.303 2.572 90 3HD1 ILE 11 HD13 ILE 11 6.754 4.170 1.602 91 H ARG 12 HN ARG 12 4.971 0.829 5.151 92 HA ARG 12 HA ARG 12 4.851 -0.506 7.735 93 1HB ARG 12 HB3 ARG 12 2.723 1.300 6.737 94 2HB ARG 12 HB2 ARG 12 2.193 -0.242 7.376 95 1HG ARG 12 HG3 ARG 12 2.033 1.102 9.212 96 2HG ARG 12 HG2 ARG 12 3.639 0.390 9.427 97 1HD ARG 12 HD2 ARG 12 4.553 2.441 8.265 98 2HD ARG 12 HD3 ARG 12 2.938 3.142 8.444 99 HE ARG 12 HE ARG 12 3.733 2.209 10.939 100 1HH1 ARG 12 HH11 ARG 12 5.485 4.973 9.039 101 2HH1 ARG 12 HH12 ARG 12 4.073 5.763 9.701 102 1HH2 ARG 12 HH21 ARG 12 3.985 4.396 12.435 103 2HH2 ARG 12 HH22 ARG 12 5.699 4.324 12.167 104 H HIS 13 HN HIS 13 3.299 -2.301 7.709 105 HA HIS 13 HA HIS 13 2.753 -3.396 5.037 106 1HB HIS 13 HB3 HIS 13 4.658 -4.650 5.754 107 2HB HIS 13 HB2 HIS 13 4.043 -4.783 7.398 108 HD1 HIS 13 HD1 HIS 13 4.723 -7.368 6.765 109 HD2 HIS 13 HD2 HIS 13 1.255 -5.844 5.063 110 HE1 HIS 13 HE1 HIS 13 3.421 -9.365 5.986 111 HE2 HIS 13 HE2 HIS 13 1.174 -8.420 5.336 112 H ASP 14 HN ASP 14 0.573 -3.351 4.941 113 HA ASP 14 HA ASP 14 -0.893 -4.312 7.302 114 1HB ASP 14 HB3 ASP 14 -1.033 -1.776 6.703 115 2HB ASP 14 HB2 ASP 14 -2.108 -2.302 5.427 116 H ALA 15 HN ALA 15 -3.311 -4.860 6.417 117 HA ALA 15 HA ALA 15 -3.076 -6.281 3.843 118 1HB ALA 15 HB1 ALA 15 -3.856 -7.583 6.452 119 2HB ALA 15 HB2 ALA 15 -4.008 -8.337 4.860 120 3HB ALA 15 HB3 ALA 15 -2.415 -7.920 5.496 121 H PHE 16 HN PHE 16 -5.119 -6.883 2.919 122 HA PHE 16 HA PHE 16 -7.538 -6.049 4.212 123 1HB PHE 16 HB3 PHE 16 -8.180 -4.304 2.766 124 2HB PHE 16 HB2 PHE 16 -6.524 -3.940 3.258 125 HD1 PHE 16 HD1 PHE 16 -4.685 -4.380 1.744 126 HD2 PHE 16 HD2 PHE 16 -8.714 -4.796 0.603 127 HE1 PHE 16 HE1 PHE 16 -3.994 -4.362 -0.633 128 HE2 PHE 16 HE2 PHE 16 -8.084 -4.777 -1.787 129 HZ PHE 16 HZ PHE 16 -5.705 -4.565 -2.403 130 H GLN 17 HN GLN 17 -9.430 -6.248 2.631 131 HA GLN 17 HA GLN 17 -9.025 -8.079 0.429 132 1HB GLN 17 HB3 GLN 17 -9.147 -9.606 2.354 133 2HB GLN 17 HB2 GLN 17 -10.661 -8.859 2.860 134 1HG GLN 17 HG2 GLN 17 -11.748 -9.667 0.848 135 2HG GLN 17 HG3 GLN 17 -10.239 -10.381 0.290 136 1HE2 GLN 17 HE21 GLN 17 -10.343 -12.498 0.467 137 2HE2 GLN 17 HE22 GLN 17 -11.046 -13.379 1.769 138 H VAL 18 HN VAL 18 -9.736 -5.766 -0.161 139 HA VAL 18 HA VAL 18 -12.666 -5.700 -0.340 140 HB VAL 18 HB VAL 18 -12.585 -3.264 -0.094 141 1HG1 VAL 18 HG21 VAL 18 -11.611 -3.493 2.403 142 2HG1 VAL 18 HG22 VAL 18 -13.188 -4.092 1.916 143 3HG1 VAL 18 HG23 VAL 18 -11.822 -5.199 1.993 144 1HG2 VAL 18 HG11 VAL 18 -10.032 -3.037 1.160 145 2HG2 VAL 18 HG12 VAL 18 -9.826 -3.680 -0.461 146 3HG2 VAL 18 HG13 VAL 18 -10.667 -2.154 -0.221 147 H TRP 19 HN TRP 19 -13.386 -4.063 -1.809 148 HA TRP 19 HA TRP 19 -13.068 -4.702 -4.396 149 1HB TRP 19 HB2 TRP 19 -13.852 -1.944 -3.564 150 2HB TRP 19 HB3 TRP 19 -14.563 -2.974 -4.807 151 HD1 TRP 19 HD1 TRP 19 -16.348 -4.798 -4.015 152 HE1 TRP 19 HE1 TRP 19 -17.722 -5.048 -1.852 153 HE3 TRP 19 HE3 TRP 19 -13.612 -1.763 -0.910 154 HZ2 TRP 19 HZ2 TRP 19 -17.651 -4.103 0.794 155 HZ3 TRP 19 HZ3 TRP 19 -14.333 -1.495 1.428 156 HH2 TRP 19 HH2 TRP 19 -16.309 -2.665 2.255 157 H GLU 20 HN GLU 20 -11.398 -4.618 -5.593 158 HA GLU 20 HA GLU 20 -9.381 -2.546 -5.415 159 1HB GLU 20 HB2 GLU 20 -8.866 -4.989 -5.737 160 2HB GLU 20 HB3 GLU 20 -9.523 -4.850 -7.361 161 1HG GLU 20 HG3 GLU 20 -7.808 -3.033 -7.749 162 2HG GLU 20 HG2 GLU 20 -7.056 -3.568 -6.242 163 H GLY 21 HN GLY 21 -11.964 -1.703 -6.319 164 1HA GLY 21 HA1 GLY 21 -12.088 0.234 -7.792 165 2HA GLY 21 HA2 GLY 21 -11.167 -0.673 -8.971 166 H ASP 22 HN ASP 22 -12.231 -2.262 -10.227 167 HA ASP 22 HA ASP 22 -15.015 -1.689 -10.705 168 1HB ASP 22 HB3 ASP 22 -13.335 -2.232 -12.510 169 2HB ASP 22 HB2 ASP 22 -13.350 -3.894 -11.931 170 H GLU 23 HN GLU 23 -14.973 -2.450 -8.213 171 HA GLU 23 HA GLU 23 -15.747 -3.803 -6.627 172 1HB GLU 23 HB3 GLU 23 -17.623 -3.605 -8.552 173 2HB GLU 23 HB2 GLU 23 -17.487 -5.352 -8.398 174 1HG GLU 23 HG2 GLU 23 -19.204 -4.568 -6.923 175 2HG GLU 23 HG3 GLU 23 -17.836 -5.130 -5.962 176 HA PRO 24 HA PRO 24 -13.743 -7.863 -7.645 177 1HB PRO 24 HB3 PRO 24 -11.158 -7.357 -8.239 178 2HB PRO 24 HB2 PRO 24 -12.430 -7.229 -9.456 179 1HG PRO 24 HG2 PRO 24 -10.830 -5.111 -8.256 180 2HG PRO 24 HG3 PRO 24 -11.957 -5.012 -9.626 181 1HD PRO 24 HD2 PRO 24 -12.413 -4.416 -6.760 182 2HD PRO 24 HD3 PRO 24 -13.297 -3.830 -8.200 183 HA PRO 25 HA PRO 25 -12.083 -6.922 -3.428 184 1HB PRO 25 HB3 PRO 25 -13.980 -8.695 -2.244 185 2HB PRO 25 HB2 PRO 25 -13.934 -6.942 -2.159 186 1HG PRO 25 HG3 PRO 25 -15.882 -8.411 -3.450 187 2HG PRO 25 HG2 PRO 25 -15.505 -6.711 -3.774 188 1HD PRO 25 HD3 PRO 25 -14.641 -9.162 -5.271 189 2HD PRO 25 HD2 PRO 25 -15.132 -7.571 -5.897 190 H LYS 26 HN LYS 26 -10.284 -7.936 -3.077 191 HA LYS 26 HA LYS 26 -10.263 -10.848 -2.808 192 1HB LYS 26 HB3 LYS 26 -8.349 -9.275 -4.557 193 2HB LYS 26 HB2 LYS 26 -8.087 -10.939 -4.062 194 1HG LYS 26 HG3 LYS 26 -10.046 -11.652 -5.292 195 2HG LYS 26 HG2 LYS 26 -10.366 -9.978 -5.763 196 1HD LYS 26 HD3 LYS 26 -8.461 -9.856 -7.111 197 2HD LYS 26 HD2 LYS 26 -7.725 -11.268 -6.351 198 1HE LYS 26 HE2 LYS 26 -9.604 -12.629 -7.336 199 2HE LYS 26 HE3 LYS 26 -10.053 -11.198 -8.256 200 1HZ LYS 26 HZ1 LYS 26 -8.363 -11.478 -9.667 201 2HZ LYS 26 HZ2 LYS 26 -8.305 -13.062 -9.084 202 3HZ LYS 26 HZ3 LYS 26 -7.257 -11.898 -8.442 203 H LEU 27 HN LEU 27 -8.560 -11.655 -1.545 204 HA LEU 27 HA LEU 27 -7.653 -9.920 0.542 205 1HB LEU 27 HB3 LEU 27 -8.162 -12.319 0.893 206 2HB LEU 27 HB2 LEU 27 -6.824 -12.743 -0.157 207 HG LEU 27 HG LEU 27 -5.259 -11.697 1.486 208 1HD1 LEU 27 HD21 LEU 27 -7.712 -11.486 3.219 209 2HD1 LEU 27 HD22 LEU 27 -6.057 -11.173 3.725 210 3HD1 LEU 27 HD23 LEU 27 -6.827 -10.132 2.533 211 1HD2 LEU 27 HD11 LEU 27 -5.216 -13.932 1.840 212 2HD2 LEU 27 HD12 LEU 27 -5.962 -13.461 3.360 213 3HD2 LEU 27 HD13 LEU 27 -6.970 -14.037 2.041 214 H ARG 28 HN ARG 28 -6.017 -8.585 0.360 215 HA ARG 28 HA ARG 28 -3.635 -9.359 -1.148 216 1HB ARG 28 HB2 ARG 28 -5.300 -6.902 -1.634 217 2HB ARG 28 HB3 ARG 28 -3.586 -6.932 -2.014 218 1HG ARG 28 HG2 ARG 28 -3.923 -8.779 -3.546 219 2HG ARG 28 HG3 ARG 28 -5.646 -8.813 -3.149 220 1HD ARG 28 HD2 ARG 28 -4.278 -6.355 -4.217 221 2HD ARG 28 HD3 ARG 28 -4.973 -7.583 -5.277 222 HE ARG 28 HE ARG 28 -6.411 -5.722 -3.570 223 1HH1 ARG 28 HH11 ARG 28 -6.968 -8.557 -5.907 224 2HH1 ARG 28 HH12 ARG 28 -7.471 -7.085 -6.689 225 1HH2 ARG 28 HH21 ARG 28 -8.724 -6.029 -3.457 226 2HH2 ARG 28 HH22 ARG 28 -9.379 -6.530 -4.989 227 H TYR 29 HN TYR 29 -1.745 -8.271 -0.528 228 HA TYR 29 HA TYR 29 -1.948 -7.035 2.131 229 1HB TYR 29 HB2 TYR 29 0.345 -8.556 0.850 230 2HB TYR 29 HB3 TYR 29 0.411 -7.790 2.436 231 HD1 TYR 29 HD1 TYR 29 1.094 -10.551 2.308 232 HD2 TYR 29 HD2 TYR 29 -2.772 -8.800 2.548 233 HE1 TYR 29 HE1 TYR 29 0.244 -12.594 3.381 234 HE2 TYR 29 HE2 TYR 29 -3.644 -10.841 3.604 235 HH TYR 29 HH TYR 29 -2.227 -13.724 3.522 236 H VAL 30 HN VAL 30 -1.452 -4.972 2.314 237 HA VAL 30 HA VAL 30 -0.178 -3.629 0.039 238 HB VAL 30 HB VAL 30 -1.814 -2.483 2.312 239 1HG1 VAL 30 HG21 VAL 30 -0.568 -1.018 -0.016 240 2HG1 VAL 30 HG22 VAL 30 -1.561 -0.318 1.265 241 3HG1 VAL 30 HG23 VAL 30 0.035 -0.975 1.651 242 1HG2 VAL 30 HG11 VAL 30 -2.327 -3.131 -0.536 243 2HG2 VAL 30 HG12 VAL 30 -3.364 -3.323 0.883 244 3HG2 VAL 30 HG13 VAL 30 -3.125 -1.727 0.163 245 H PHE 31 HN PHE 31 1.905 -3.410 0.175 246 HA PHE 31 HA PHE 31 3.097 -2.655 2.769 247 1HB PHE 31 HB2 PHE 31 4.765 -3.587 0.454 248 2HB PHE 31 HB3 PHE 31 5.110 -3.679 2.178 249 HD1 PHE 31 HD1 PHE 31 2.968 -5.172 -0.484 250 HD2 PHE 31 HD2 PHE 31 4.812 -5.624 3.335 251 HE1 PHE 31 HE1 PHE 31 2.313 -7.546 -0.443 252 HE2 PHE 31 HE2 PHE 31 4.162 -7.993 3.379 253 HZ PHE 31 HZ PHE 31 2.909 -8.960 1.490 254 H LEU 32 HN LEU 32 3.629 -0.468 2.789 255 HA LEU 32 HA LEU 32 4.038 0.755 0.149 256 1HB LEU 32 HB2 LEU 32 4.012 2.314 2.724 257 2HB LEU 32 HB3 LEU 32 3.721 2.866 1.080 258 HG LEU 32 HG LEU 32 1.786 1.261 2.772 259 1HD1 LEU 32 HD11 LEU 32 2.295 3.866 2.993 260 2HD1 LEU 32 HD12 LEU 32 1.219 3.932 1.599 261 3HD1 LEU 32 HD13 LEU 32 0.658 3.213 3.109 262 1HD2 LEU 32 HD21 LEU 32 1.995 0.948 0.144 263 2HD2 LEU 32 HD22 LEU 32 0.442 1.001 0.972 264 3HD2 LEU 32 HD23 LEU 32 1.056 2.434 0.157 265 H PHE 33 HN PHE 33 6.075 1.188 -0.525 266 HA PHE 33 HA PHE 33 8.177 1.065 1.540 267 1HB PHE 33 HB3 PHE 33 8.067 -0.238 -1.163 268 2HB PHE 33 HB2 PHE 33 9.612 0.113 -0.401 269 HD1 PHE 33 HD1 PHE 33 9.099 -2.565 -1.122 270 HD2 PHE 33 HD2 PHE 33 7.840 -0.522 2.390 271 HE1 PHE 33 HE1 PHE 33 8.920 -4.707 0.061 272 HE2 PHE 33 HE2 PHE 33 7.677 -2.666 3.582 273 HZ PHE 33 HZ PHE 33 8.213 -4.767 2.414 274 H ARG 34 HN ARG 34 8.640 3.131 1.747 275 HA ARG 34 HA ARG 34 9.551 5.157 1.421 276 1HB ARG 34 HB3 ARG 34 11.361 3.689 0.387 277 2HB ARG 34 HB2 ARG 34 10.708 4.166 -1.176 278 1HG ARG 34 HG2 ARG 34 11.130 6.528 -0.602 279 2HG ARG 34 HG3 ARG 34 11.869 5.996 0.915 280 1HD ARG 34 HD2 ARG 34 13.705 6.245 -0.482 281 2HD ARG 34 HD3 ARG 34 13.350 4.522 -0.596 282 HE ARG 34 HE ARG 34 11.965 5.804 -2.642 283 1HH1 ARG 34 HH11 ARG 34 15.474 6.057 -1.973 284 2HH1 ARG 34 HH12 ARG 34 15.647 4.552 -2.837 285 1HH2 ARG 34 HH22 ARG 34 12.872 5.263 -4.855 286 2HH2 ARG 34 HH21 ARG 34 14.261 6.306 -4.958 287 H ASN 35 HN ASN 35 9.237 4.569 -2.071 288 HA ASN 35 HA ASN 35 7.387 6.863 -2.135 289 1HB ASN 35 HB3 ASN 35 9.221 5.760 -4.268 290 2HB ASN 35 HB2 ASN 35 8.035 7.037 -4.541 291 1HD2 ASN 35 HD21 ASN 35 8.689 9.006 -4.332 292 2HD2 ASN 35 HD22 ASN 35 9.974 9.558 -3.321 293 H LYS 36 HN LYS 36 7.862 3.599 -3.398 294 HA LYS 36 HA LYS 36 5.212 3.792 -4.613 295 1HB LYS 36 HB3 LYS 36 5.876 1.801 -5.905 296 2HB LYS 36 HB2 LYS 36 6.926 3.190 -6.157 297 1HG LYS 36 HG2 LYS 36 8.495 1.558 -5.990 298 2HG LYS 36 HG3 LYS 36 8.372 2.013 -4.285 299 1HD LYS 36 HD2 LYS 36 6.960 0.135 -3.818 300 2HD LYS 36 HD3 LYS 36 6.825 -0.250 -5.536 301 1HE LYS 36 HE2 LYS 36 9.409 -0.309 -3.971 302 2HE LYS 36 HE3 LYS 36 8.414 -1.726 -4.308 303 1HZ LYS 36 HZ1 LYS 36 10.355 -0.487 -5.955 304 2HZ LYS 36 HZ2 LYS 36 8.849 -0.442 -6.741 305 3HZ LYS 36 HZ3 LYS 36 9.489 -1.925 -6.218 306 H ILE 37 HN ILE 37 3.747 2.120 -4.511 307 HA ILE 37 HA ILE 37 3.648 0.784 -1.899 308 HB ILE 37 HB ILE 37 1.538 1.053 -4.064 309 1HG1 ILE 37 HG13 ILE 37 1.725 2.409 -1.368 310 2HG1 ILE 37 HG12 ILE 37 2.077 3.179 -2.916 311 1HG2 ILE 37 HG21 ILE 37 1.221 -0.995 -2.776 312 2HG2 ILE 37 HG22 ILE 37 1.275 -0.073 -1.278 313 3HG2 ILE 37 HG23 ILE 37 -0.045 0.176 -2.412 314 1HD1 ILE 37 HD11 ILE 37 -0.570 1.908 -2.645 315 2HD1 ILE 37 HD12 ILE 37 -0.287 3.355 -1.694 316 3HD1 ILE 37 HD13 ILE 37 -0.099 3.409 -3.444 317 H MET 38 HN MET 38 3.979 -1.380 -1.745 318 HA MET 38 HA MET 38 4.328 -2.931 -4.209 319 1HB MET 38 HB2 MET 38 6.185 -3.040 -2.636 320 2HB MET 38 HB3 MET 38 5.093 -3.496 -1.334 321 1HG MET 38 HG3 MET 38 4.642 -5.610 -2.378 322 2HG MET 38 HG2 MET 38 5.600 -5.163 -3.783 323 1HE MET 38 HE1 MET 38 7.344 -8.072 -1.657 324 2HE MET 38 HE2 MET 38 5.804 -7.743 -2.447 325 3HE MET 38 HE3 MET 38 7.307 -7.606 -3.354 326 H PHE 39 HN PHE 39 2.720 -4.234 -4.856 327 HA PHE 39 HA PHE 39 0.636 -4.932 -2.884 328 1HB PHE 39 HB3 PHE 39 0.541 -3.674 -5.416 329 2HB PHE 39 HB2 PHE 39 -0.279 -5.219 -5.566 330 HD1 PHE 39 HD1 PHE 39 -0.112 -2.389 -3.156 331 HD2 PHE 39 HD2 PHE 39 -2.537 -5.184 -5.251 332 HE1 PHE 39 HE1 PHE 39 -2.122 -1.365 -2.184 333 HE2 PHE 39 HE2 PHE 39 -4.558 -4.163 -4.290 334 HZ PHE 39 HZ PHE 39 -4.353 -2.244 -2.752 335 H THR 40 HN THR 40 0.259 -7.023 -2.498 336 HA THR 40 HA THR 40 1.169 -8.998 -4.490 337 HB THR 40 HB THR 40 1.456 -10.591 -2.556 338 HG1 THR 40 HG1 THR 40 1.747 -8.527 -0.769 339 1HG2 THR 40 HG21 THR 40 3.275 -8.266 -2.077 340 2HG2 THR 40 HG22 THR 40 3.391 -9.232 -3.549 341 3HG2 THR 40 HG23 THR 40 3.614 -9.994 -1.976 342 H GLU 41 HN GLU 41 -0.274 -10.677 -4.921 343 HA GLU 41 HA GLU 41 -2.977 -10.206 -3.887 344 1HB GLU 41 HB2 GLU 41 -2.495 -10.267 -6.395 345 2HB GLU 41 HB3 GLU 41 -2.203 -11.988 -6.196 346 1HG GLU 41 HG3 GLU 41 -4.463 -12.326 -5.420 347 2HG GLU 41 HG2 GLU 41 -4.784 -10.601 -5.510 348 H GLN 42 HN GLN 42 -3.945 -11.653 -2.588 349 HA GLN 42 HA GLN 42 -2.674 -14.293 -2.228 350 1HB GLN 42 HB2 GLN 42 -4.042 -12.698 -0.049 351 2HB GLN 42 HB3 GLN 42 -3.155 -14.200 0.136 352 1HG GLN 42 HG2 GLN 42 -1.951 -11.544 -0.603 353 2HG GLN 42 HG3 GLN 42 -1.942 -12.273 0.997 354 1HE2 GLN 42 HE21 GLN 42 0.088 -11.583 -1.211 355 2HE2 GLN 42 HE22 GLN 42 1.203 -12.883 -0.976 356 H ASP 43 HN ASP 43 -4.684 -13.795 -4.050 357 HA ASP 43 HA ASP 43 -7.150 -14.681 -2.733 358 1HB ASP 43 HB3 ASP 43 -7.305 -12.597 -4.028 359 2HB ASP 43 HB2 ASP 43 -6.773 -13.457 -5.469 360 H ALA 44 HN ALA 44 -8.497 -16.174 -3.731 361 HA ALA 44 HA ALA 44 -7.454 -17.933 -5.793 362 1HB ALA 44 HB1 ALA 44 -6.940 -19.626 -4.453 363 2HB ALA 44 HB2 ALA 44 -7.318 -18.637 -3.045 364 3HB ALA 44 HB3 ALA 44 -8.572 -19.610 -3.806 365 H SER 45 HN SER 45 -9.463 -16.075 -5.976 366 HA SER 45 HA SER 45 -11.905 -17.643 -5.776 367 1HB SER 45 HB3 SER 45 -11.661 -14.654 -6.068 368 2HB SER 45 HB2 SER 45 -13.107 -15.567 -5.683 369 HG SER 45 HG SER 45 -10.818 -15.102 -4.093 370 H THR 46 HN THR 46 -13.289 -17.630 -7.343 371 HA THR 46 HA THR 46 -14.087 -17.979 -9.399 372 HB THR 46 HB THR 46 -13.871 -16.109 -11.040 373 HG1 THR 46 HG1 THR 46 -11.796 -15.434 -9.420 374 1HG2 THR 46 HG21 THR 46 -14.512 -14.410 -8.900 375 2HG2 THR 46 HG22 THR 46 -15.073 -16.018 -8.463 376 3HG2 THR 46 HG23 THR 46 -15.604 -15.276 -9.977 377 H SER 47 HN SER 47 -12.240 -16.621 -11.684 378 HA SER 47 HA SER 47 -10.936 -19.169 -12.233 379 1HB SER 47 HB2 SER 47 -11.644 -16.920 -14.112 380 2HB SER 47 HB3 SER 47 -10.974 -18.486 -14.583 381 HG SER 47 HG SER 47 -12.947 -19.293 -13.325 382 HA PRO 48 HA PRO 48 -7.259 -16.338 -12.813 383 1HB PRO 48 HB3 PRO 48 -7.508 -13.689 -13.119 384 2HB PRO 48 HB2 PRO 48 -7.992 -14.821 -14.386 385 1HG PRO 48 HG2 PRO 48 -9.679 -13.138 -12.668 386 2HG PRO 48 HG3 PRO 48 -10.102 -13.974 -14.171 387 1HD PRO 48 HD3 PRO 48 -10.532 -14.822 -11.400 388 2HD PRO 48 HD2 PRO 48 -11.230 -15.472 -12.892 389 HA PRO 49 HA PRO 49 -7.027 -14.753 -8.492 390 1HB PRO 49 HB3 PRO 49 -6.572 -17.057 -7.184 391 2HB PRO 49 HB2 PRO 49 -8.200 -16.598 -7.690 392 1HG PRO 49 HG3 PRO 49 -6.459 -18.723 -8.721 393 2HG PRO 49 HG2 PRO 49 -8.200 -18.501 -8.954 394 1HD PRO 49 HD2 PRO 49 -5.983 -17.747 -10.708 395 2HD PRO 49 HD3 PRO 49 -7.726 -17.816 -11.064 396 H SER 50 HN SER 50 -5.219 -16.223 -6.832 397 HA SER 50 HA SER 50 -3.050 -16.388 -6.269 398 1HB SER 50 HB3 SER 50 -2.570 -16.824 -9.224 399 2HB SER 50 HB2 SER 50 -1.470 -17.249 -7.906 400 HG SER 50 HG SER 50 -3.533 -18.473 -7.171 401 H TYR 51 HN TYR 51 -2.222 -15.051 -9.436 402 HA TYR 51 HA TYR 51 -1.878 -12.416 -8.301 403 1HB TYR 51 HB3 TYR 51 0.174 -13.400 -7.562 404 2HB TYR 51 HB2 TYR 51 0.474 -14.116 -9.137 405 HD1 TYR 51 HD1 TYR 51 -0.070 -10.778 -7.594 406 HD2 TYR 51 HD2 TYR 51 1.964 -13.070 -10.531 407 HE1 TYR 51 HE1 TYR 51 1.207 -8.787 -8.252 408 HE2 TYR 51 HE2 TYR 51 3.249 -11.088 -11.207 409 HH TYR 51 HH TYR 51 3.937 -8.914 -10.270 410 H THR 52 HN THR 52 -2.819 -11.204 -9.790 411 HA THR 52 HA THR 52 -2.209 -11.785 -12.608 412 HB THR 52 HB THR 52 -4.506 -12.259 -12.203 413 HG1 THR 52 HG1 THR 52 -4.599 -9.678 -13.322 414 1HG2 THR 52 HG21 THR 52 -5.965 -10.161 -11.524 415 2HG2 THR 52 HG22 THR 52 -4.501 -9.763 -10.638 416 3HG2 THR 52 HG23 THR 52 -5.316 -11.283 -10.338 417 H HIS 53 HN HIS 53 -0.317 -10.476 -12.240 418 HA HIS 53 HA HIS 53 0.959 -8.630 -12.470 419 1HB HIS 53 HB2 HIS 53 -1.442 -7.861 -14.110 420 2HB HIS 53 HB3 HIS 53 0.039 -6.903 -14.081 421 HD1 HIS 53 HD1 HIS 53 2.290 -8.485 -14.684 422 HD2 HIS 53 HD2 HIS 53 -1.438 -9.701 -16.086 423 HE1 HIS 53 HE1 HIS 53 2.755 -10.133 -16.538 424 HE2 HIS 53 HE2 HIS 53 0.489 -10.795 -17.415 425 H TYR 54 HN TYR 54 1.273 -7.781 -10.473 426 HA TYR 54 HA TYR 54 -0.293 -5.362 -9.880 427 1HB TYR 54 HB3 TYR 54 0.527 -7.521 -7.937 428 2HB TYR 54 HB2 TYR 54 0.134 -5.885 -7.415 429 HD1 TYR 54 HD1 TYR 54 -1.311 -8.655 -9.470 430 HD2 TYR 54 HD2 TYR 54 -2.033 -5.400 -6.840 431 HE1 TYR 54 HE1 TYR 54 -3.705 -9.210 -9.450 432 HE2 TYR 54 HE2 TYR 54 -4.423 -5.955 -6.802 433 HH TYR 54 HH TYR 54 -6.066 -7.107 -8.066 434 H SER 55 HN SER 55 2.530 -7.026 -8.498 435 HA SER 55 HA SER 55 4.635 -6.380 -8.039 436 1HB SER 55 HB2 SER 55 4.629 -6.183 -10.569 437 2HB SER 55 HB3 SER 55 4.396 -4.446 -10.357 438 HG SER 55 HG SER 55 6.619 -6.057 -9.700 439 H SER 56 HN SER 56 4.621 -3.189 -9.190 440 HA SER 56 HA SER 56 3.935 -2.157 -6.521 441 1HB SER 56 HB3 SER 56 6.250 -1.206 -8.224 442 2HB SER 56 HB2 SER 56 5.843 -0.674 -6.593 443 HG SER 56 HG SER 56 7.059 -3.033 -7.458 444 H ILE 57 HN ILE 57 3.003 -0.080 -6.471 445 HA ILE 57 HA ILE 57 2.062 0.846 -9.105 446 HB ILE 57 HB ILE 57 0.402 0.205 -7.247 447 1HG1 ILE 57 HG12 ILE 57 0.203 2.900 -8.625 448 2HG1 ILE 57 HG13 ILE 57 -0.197 1.346 -9.346 449 1HG2 ILE 57 HG21 ILE 57 1.158 1.261 -5.342 450 2HG2 ILE 57 HG22 ILE 57 1.534 2.760 -6.194 451 3HG2 ILE 57 HG23 ILE 57 -0.140 2.317 -5.862 452 1HD1 ILE 57 HD11 ILE 57 -1.608 1.890 -6.856 453 2HD1 ILE 57 HD12 ILE 57 -1.965 3.022 -8.162 454 3HD1 ILE 57 HD13 ILE 57 -2.212 1.293 -8.398 455 H ARG 58 HN ARG 58 1.715 3.318 -9.155 456 HA ARG 58 HA ARG 58 4.173 4.499 -8.041 457 1HB ARG 58 HB3 ARG 58 3.363 4.381 -10.670 458 2HB ARG 58 HB2 ARG 58 2.914 6.012 -10.180 459 1HG ARG 58 HG3 ARG 58 5.670 4.824 -9.923 460 2HG ARG 58 HG2 ARG 58 5.126 5.951 -11.171 461 1HD ARG 58 HD3 ARG 58 4.718 7.661 -9.559 462 2HD ARG 58 HD2 ARG 58 5.083 6.552 -8.236 463 HE ARG 58 HE ARG 58 7.245 7.184 -8.475 464 1HH1 ARG 58 HH12 ARG 58 6.438 7.050 -12.160 465 2HH1 ARG 58 HH11 ARG 58 6.589 8.756 -11.843 466 1HH2 ARG 58 HH22 ARG 58 9.329 7.047 -10.262 467 2HH2 ARG 58 HH21 ARG 58 9.009 8.676 -10.762 468 H LEU 59 HN LEU 59 4.105 6.075 -6.694 469 HA LEU 59 HA LEU 59 1.545 7.325 -6.017 470 1HB LEU 59 HB2 LEU 59 4.144 6.967 -4.551 471 2HB LEU 59 HB3 LEU 59 2.950 8.115 -3.993 472 HG LEU 59 HG LEU 59 1.317 6.226 -3.833 473 1HD1 LEU 59 HD11 LEU 59 1.789 4.146 -4.468 474 2HD1 LEU 59 HD12 LEU 59 3.117 4.875 -5.370 475 3HD1 LEU 59 HD13 LEU 59 3.399 4.195 -3.770 476 1HD2 LEU 59 HD21 LEU 59 2.484 5.182 -1.827 477 2HD2 LEU 59 HD22 LEU 59 3.829 6.255 -2.202 478 3HD2 LEU 59 HD23 LEU 59 2.249 6.931 -1.815 479 H ASP 60 HN ASP 60 3.570 8.143 -8.265 480 HA ASP 60 HA ASP 60 4.214 10.819 -7.295 481 1HB ASP 60 HB3 ASP 60 5.877 9.541 -8.635 482 2HB ASP 60 HB2 ASP 60 4.795 9.658 -10.020 483 H LYS 61 HN LYS 61 1.976 9.259 -9.509 484 HA LYS 61 HA LYS 61 0.757 11.902 -9.859 485 1HB LYS 61 HB2 LYS 61 1.334 9.883 -11.998 486 2HB LYS 61 HB3 LYS 61 0.108 11.126 -12.201 487 1HG LYS 61 HG2 LYS 61 1.877 12.826 -11.716 488 2HG LYS 61 HG3 LYS 61 3.059 11.513 -11.792 489 1HD LYS 61 HD3 LYS 61 2.309 11.014 -14.091 490 2HD LYS 61 HD2 LYS 61 1.208 12.404 -13.996 491 1HE LYS 61 HE2 LYS 61 3.207 13.830 -13.501 492 2HE LYS 61 HE3 LYS 61 4.223 12.436 -13.867 493 1HZ LYS 61 HZ1 LYS 61 2.237 13.527 -15.767 494 2HZ LYS 61 HZ2 LYS 61 3.482 12.428 -16.085 495 3HZ LYS 61 HZ3 LYS 61 3.853 14.039 -15.724 496 H TYR 62 HN TYR 62 -0.245 10.366 -7.903 497 HA TYR 62 HA TYR 62 -2.850 9.713 -9.046 498 1HB TYR 62 HB3 TYR 62 -3.067 7.589 -8.214 499 2HB TYR 62 HB2 TYR 62 -1.326 7.600 -8.502 500 HD1 TYR 62 HD1 TYR 62 -3.766 8.292 -5.702 501 HD2 TYR 62 HD2 TYR 62 0.055 6.843 -6.860 502 HE1 TYR 62 HE1 TYR 62 -3.340 7.584 -3.398 503 HE2 TYR 62 HE2 TYR 62 0.481 6.141 -4.553 504 HH TYR 62 HH TYR 62 -0.619 7.102 -2.109 505 H ASN 63 HN ASN 63 -4.594 10.061 -7.635 506 HA ASN 63 HA ASN 63 -3.976 11.937 -5.482 507 1HB ASN 63 HB3 ASN 63 -5.717 12.433 -7.302 508 2HB ASN 63 HB2 ASN 63 -6.720 11.213 -6.514 509 1HD2 ASN 63 HD21 ASN 63 -6.239 14.405 -6.762 510 2HD2 ASN 63 HD22 ASN 63 -6.909 14.906 -5.237 511 H ILE 64 HN ILE 64 -3.943 11.209 -3.465 512 HA ILE 64 HA ILE 64 -5.224 8.641 -2.927 513 HB ILE 64 HB ILE 64 -2.863 8.871 -2.289 514 1HG1 ILE 64 HG12 ILE 64 -3.084 8.050 0.053 515 2HG1 ILE 64 HG13 ILE 64 -4.778 8.507 0.013 516 1HG2 ILE 64 HG21 ILE 64 -2.213 10.228 -0.347 517 2HG2 ILE 64 HG22 ILE 64 -2.779 11.223 -1.687 518 3HG2 ILE 64 HG23 ILE 64 -3.836 10.917 -0.297 519 1HD1 ILE 64 HD11 ILE 64 -3.490 6.514 -1.832 520 2HD1 ILE 64 HD12 ILE 64 -4.427 6.114 -0.392 521 3HD1 ILE 64 HD13 ILE 64 -5.210 6.915 -1.750 522 H ARG 65 HN ARG 65 -7.200 8.654 -2.197 523 HA ARG 65 HA ARG 65 -8.147 10.970 -0.672 524 1HB ARG 65 HB2 ARG 65 -10.007 8.933 -1.734 525 2HB ARG 65 HB3 ARG 65 -10.235 10.658 -1.547 526 1HG ARG 65 HG3 ARG 65 -8.729 11.056 -3.445 527 2HG ARG 65 HG2 ARG 65 -8.599 9.309 -3.676 528 1HD ARG 65 HD3 ARG 65 -10.216 10.298 -5.213 529 2HD ARG 65 HD2 ARG 65 -10.981 9.159 -4.101 530 HE ARG 65 HE ARG 65 -11.233 11.675 -2.948 531 1HH1 ARG 65 HH11 ARG 65 -12.879 9.944 -5.783 532 2HH1 ARG 65 HH12 ARG 65 -12.985 11.566 -6.395 533 1HH2 ARG 65 HH21 ARG 65 -13.185 13.270 -3.844 534 2HH2 ARG 65 HH22 ARG 65 -14.344 11.976 -3.579 535 H GLN 66 HN GLN 66 -9.770 10.473 0.986 536 HA GLN 66 HA GLN 66 -9.777 7.862 2.189 537 1HB GLN 66 HB2 GLN 66 -7.601 8.694 2.962 538 2HB GLN 66 HB3 GLN 66 -8.354 10.173 3.550 539 1HG GLN 66 HG3 GLN 66 -9.555 8.911 5.243 540 2HG GLN 66 HG2 GLN 66 -8.875 7.408 4.626 541 1HE2 GLN 66 HE21 GLN 66 -6.560 9.773 4.346 542 2HE2 GLN 66 HE22 GLN 66 -5.629 9.308 5.715 543 H HIS 67 HN HIS 67 -11.783 7.626 3.063 544 HA HIS 67 HA HIS 67 -13.168 10.102 3.845 545 1HB HIS 67 HB3 HIS 67 -14.287 7.644 2.508 546 2HB HIS 67 HB2 HIS 67 -15.294 8.867 3.263 547 HD1 HIS 67 HD1 HIS 67 -14.323 11.457 2.316 548 HD2 HIS 67 HD2 HIS 67 -14.297 8.104 -0.137 549 HE1 HIS 67 HE1 HIS 67 -14.253 12.338 -0.034 550 HE2 HIS 67 HE2 HIS 67 -14.546 10.301 -1.483 551 H THR 68 HN THR 68 -14.927 9.741 5.494 552 HA THR 68 HA THR 68 -14.182 7.540 7.311 553 HB THR 68 HB THR 68 -15.008 10.296 8.222 554 HG1 THR 68 HG1 THR 68 -12.365 9.263 8.007 555 1HG2 THR 68 HG21 THR 68 -15.251 8.935 10.069 556 2HG2 THR 68 HG22 THR 68 -13.595 9.513 10.234 557 3HG2 THR 68 HG23 THR 68 -13.903 7.894 9.612 558 H THR 69 HN THR 69 -15.998 6.408 6.342 559 HA THR 69 HA THR 69 -18.664 7.417 6.650 560 HB THR 69 HB THR 69 -19.117 4.884 6.086 561 HG1 THR 69 HG1 THR 69 -17.387 3.817 5.280 562 1HG2 THR 69 HG21 THR 69 -17.754 6.702 4.101 563 2HG2 THR 69 HG22 THR 69 -19.493 6.619 4.437 564 3HG2 THR 69 HG23 THR 69 -18.666 5.240 3.706 565 H ASP 70 HN ASP 70 -16.537 5.269 8.292 566 HA ASP 70 HA ASP 70 -17.944 5.436 10.811 567 1HB ASP 70 HB2 ASP 70 -18.971 3.380 9.769 568 2HB ASP 70 HB3 ASP 70 -17.356 2.711 9.584 569 H GLU 71 HN GLU 71 -15.601 3.660 8.944 570 HA GLU 71 HA GLU 71 -13.484 4.483 10.800 571 1HB GLU 71 HB3 GLU 71 -13.774 2.067 9.024 572 2HB GLU 71 HB2 GLU 71 -12.184 2.639 9.520 573 1HG GLU 71 HG3 GLU 71 -13.131 2.510 11.915 574 2HG GLU 71 HG2 GLU 71 -14.390 1.506 11.190 575 H ASP 72 HN ASP 72 -11.355 4.154 8.945 576 HA ASP 72 HA ASP 72 -12.135 6.193 6.980 577 1HB ASP 72 HB2 ASP 72 -9.436 5.687 8.225 578 2HB ASP 72 HB3 ASP 72 -9.713 6.804 6.891 579 H THR 73 HN THR 73 -11.957 5.815 4.931 580 HA THR 73 HA THR 73 -10.800 3.248 4.059 581 HB THR 73 HB THR 73 -12.915 4.953 2.701 582 HG1 THR 73 HG1 THR 73 -13.249 3.620 4.849 583 1HG2 THR 73 HG21 THR 73 -12.703 3.625 0.955 584 2HG2 THR 73 HG22 THR 73 -13.197 2.266 1.971 585 3HG2 THR 73 HG23 THR 73 -11.491 2.648 1.782 586 H ILE 74 HN ILE 74 -9.066 3.299 2.733 587 HA ILE 74 HA ILE 74 -8.151 5.882 1.711 588 HB ILE 74 HB ILE 74 -6.796 3.180 1.708 589 1HG1 ILE 74 HG12 ILE 74 -7.191 4.069 3.969 590 2HG1 ILE 74 HG13 ILE 74 -5.479 3.991 3.577 591 1HG2 ILE 74 HG21 ILE 74 -5.701 5.899 1.058 592 2HG2 ILE 74 HG22 ILE 74 -4.739 4.436 1.249 593 3HG2 ILE 74 HG23 ILE 74 -5.919 4.547 -0.051 594 1HD1 ILE 74 HD11 ILE 74 -7.148 6.497 3.419 595 2HD1 ILE 74 HD12 ILE 74 -6.158 6.030 4.802 596 3HD1 ILE 74 HD13 ILE 74 -5.403 6.366 3.251 597 H VAL 75 HN VAL 75 -8.603 6.470 -0.324 598 HA VAL 75 HA VAL 75 -9.209 4.372 -2.333 599 HB VAL 75 HB VAL 75 -10.287 7.192 -2.203 600 1HG1 VAL 75 HG21 VAL 75 -11.934 5.928 -3.902 601 2HG1 VAL 75 HG22 VAL 75 -10.516 6.830 -4.413 602 3HG1 VAL 75 HG23 VAL 75 -10.431 5.076 -4.247 603 1HG2 VAL 75 HG11 VAL 75 -11.154 5.590 -0.441 604 2HG2 VAL 75 HG12 VAL 75 -12.351 6.375 -1.450 605 3HG2 VAL 75 HG13 VAL 75 -11.900 4.708 -1.759 606 H LEU 76 HN LEU 76 -7.974 4.413 -4.154 607 HA LEU 76 HA LEU 76 -6.138 6.685 -4.465 608 1HB LEU 76 HB2 LEU 76 -5.974 3.831 -5.427 609 2HB LEU 76 HB3 LEU 76 -4.886 5.085 -5.983 610 HG LEU 76 HG LEU 76 -4.208 5.431 -3.560 611 1HD1 LEU 76 HD11 LEU 76 -4.761 3.942 -1.888 612 2HD1 LEU 76 HD12 LEU 76 -6.291 4.113 -2.744 613 3HD1 LEU 76 HD13 LEU 76 -5.284 2.695 -3.024 614 1HD2 LEU 76 HD21 LEU 76 -3.282 2.783 -3.835 615 2HD2 LEU 76 HD22 LEU 76 -3.445 3.460 -5.453 616 3HD2 LEU 76 HD23 LEU 76 -2.457 4.283 -4.245 617 H GLN 77 HN GLN 77 -6.541 8.111 -6.007 618 HA GLN 77 HA GLN 77 -8.270 7.328 -8.271 619 1HB GLN 77 HB2 GLN 77 -8.854 9.257 -6.559 620 2HB GLN 77 HB3 GLN 77 -7.742 10.183 -7.563 621 1HG GLN 77 HG3 GLN 77 -9.939 10.571 -8.369 622 2HG GLN 77 HG2 GLN 77 -9.100 9.550 -9.543 623 1HE2 GLN 77 HE21 GLN 77 -10.485 8.222 -10.399 624 2HE2 GLN 77 HE22 GLN 77 -11.807 7.458 -9.593 625 HA PRO 78 HA PRO 78 -4.399 7.982 -10.473 626 1HB PRO 78 HB2 PRO 78 -5.061 6.578 -12.653 627 2HB PRO 78 HB3 PRO 78 -4.638 5.786 -11.128 628 1HG PRO 78 HG3 PRO 78 -7.340 6.341 -12.295 629 2HG PRO 78 HG2 PRO 78 -6.747 4.861 -11.520 630 1HD PRO 78 HD3 PRO 78 -8.282 6.723 -10.250 631 2HD PRO 78 HD2 PRO 78 -7.114 5.676 -9.411 632 H GLN 79 HN GLN 79 -3.792 9.496 -11.874 633 HA GLN 79 HA GLN 79 -5.874 10.828 -13.485 634 1HB GLN 79 HB2 GLN 79 -4.513 12.841 -13.433 635 2HB GLN 79 HB3 GLN 79 -4.789 12.295 -11.785 636 1HG GLN 79 HG3 GLN 79 -2.583 11.324 -11.692 637 2HG GLN 79 HG2 GLN 79 -2.305 11.724 -13.377 638 1HE2 GLN 79 HE21 GLN 79 -1.660 12.618 -10.308 639 2HE2 GLN 79 HE22 GLN 79 -1.195 14.256 -10.598 640 H GLU 80 HN GLU 80 -3.772 8.517 -13.783 641 HA GLU 80 HA GLU 80 -2.863 9.333 -16.459 642 1HB GLU 80 HB3 GLU 80 -1.400 7.898 -14.276 643 2HB GLU 80 HB2 GLU 80 -0.987 7.589 -15.956 644 1HG GLU 80 HG2 GLU 80 -1.040 10.355 -14.808 645 2HG GLU 80 HG3 GLU 80 0.386 9.319 -14.739 646 HA PRO 81 HA PRO 81 -5.243 5.821 -17.763 647 1HB PRO 81 HB2 PRO 81 -3.590 6.012 -20.199 648 2HB PRO 81 HB3 PRO 81 -5.339 6.121 -20.024 649 1HG PRO 81 HG2 PRO 81 -3.842 8.284 -20.570 650 2HG PRO 81 HG3 PRO 81 -5.293 8.385 -19.574 651 1HD PRO 81 HD3 PRO 81 -2.415 8.373 -18.754 652 2HD PRO 81 HD2 PRO 81 -3.781 9.287 -18.076 653 H GLY 82 HN GLY 82 -4.713 3.907 -16.920 654 1HA GLY 82 HA1 GLY 82 -3.315 1.877 -17.675 655 2HA GLY 82 HA2 GLY 82 -1.952 2.920 -17.246 656 H LEU 83 HN LEU 83 -3.624 4.152 -15.109 657 HA LEU 83 HA LEU 83 -3.205 2.072 -13.076 658 1HB LEU 83 HB3 LEU 83 -3.378 5.073 -12.903 659 2HB LEU 83 HB2 LEU 83 -3.457 4.053 -11.486 660 HG LEU 83 HG LEU 83 -1.109 4.301 -13.374 661 1HD1 LEU 83 HD21 LEU 83 -1.557 5.182 -10.526 662 2HD1 LEU 83 HD22 LEU 83 -0.022 5.279 -11.390 663 3HD1 LEU 83 HD23 LEU 83 -1.408 6.228 -11.940 664 1HD2 LEU 83 HD11 LEU 83 -0.029 2.952 -11.417 665 2HD2 LEU 83 HD12 LEU 83 -1.682 2.448 -11.088 666 3HD2 LEU 83 HD13 LEU 83 -0.955 2.092 -12.655 667 HA PRO 84 HA PRO 84 -7.636 1.913 -12.609 668 1HB PRO 84 HB2 PRO 84 -7.687 0.042 -10.680 669 2HB PRO 84 HB3 PRO 84 -7.217 -0.361 -12.328 670 1HG PRO 84 HG2 PRO 84 -5.520 0.066 -9.917 671 2HG PRO 84 HG3 PRO 84 -5.325 -1.102 -11.241 672 1HD PRO 84 HD2 PRO 84 -3.948 1.296 -11.002 673 2HD PRO 84 HD3 PRO 84 -4.147 0.364 -12.505 674 H SER 85 HN SER 85 -9.225 2.219 -10.843 675 HA SER 85 HA SER 85 -8.105 3.854 -8.667 676 1HB SER 85 HB2 SER 85 -10.534 4.795 -8.632 677 2HB SER 85 HB3 SER 85 -9.402 5.368 -9.859 678 HG SER 85 HG SER 85 -10.416 4.205 -11.382 679 H PHE 86 HN PHE 86 -8.009 2.576 -6.960 680 HA PHE 86 HA PHE 86 -10.313 0.849 -6.419 681 1HB PHE 86 HB3 PHE 86 -8.900 -0.805 -5.542 682 2HB PHE 86 HB2 PHE 86 -8.107 -0.258 -7.010 683 HD1 PHE 86 HD1 PHE 86 -8.073 0.168 -3.337 684 HD2 PHE 86 HD2 PHE 86 -5.853 0.361 -6.962 685 HE1 PHE 86 HE1 PHE 86 -5.996 0.419 -2.047 686 HE2 PHE 86 HE2 PHE 86 -3.771 0.627 -5.674 687 HZ PHE 86 HZ PHE 86 -3.854 0.640 -3.203 688 H ARG 87 HN ARG 87 -10.719 0.371 -4.129 689 HA ARG 87 HA ARG 87 -9.792 2.492 -2.338 690 1HB ARG 87 HB3 ARG 87 -12.359 2.052 -1.440 691 2HB ARG 87 HB2 ARG 87 -11.819 3.441 -2.359 692 1HG ARG 87 HG3 ARG 87 -13.844 2.618 -3.318 693 2HG ARG 87 HG2 ARG 87 -12.520 2.307 -4.446 694 1HD ARG 87 HD3 ARG 87 -12.424 -0.019 -3.550 695 2HD ARG 87 HD2 ARG 87 -13.871 0.342 -2.607 696 HE ARG 87 HE ARG 87 -13.731 -0.182 -5.440 697 1HH1 ARG 87 HH11 ARG 87 -16.151 1.614 -3.191 698 2HH1 ARG 87 HH12 ARG 87 -16.817 0.006 -3.295 699 1HH2 ARG 87 HH22 ARG 87 -16.159 0.817 -6.618 700 2HH2 ARG 87 HH21 ARG 87 -16.642 -0.701 -5.907 701 H ILE 88 HN ILE 88 -9.084 1.718 -0.450 702 HA ILE 88 HA ILE 88 -9.804 -1.064 0.157 703 HB ILE 88 HB ILE 88 -7.568 -1.303 1.224 704 1HG1 ILE 88 HG12 ILE 88 -6.949 1.273 -0.243 705 2HG1 ILE 88 HG13 ILE 88 -7.051 1.079 1.504 706 1HG2 ILE 88 HG21 ILE 88 -6.476 -1.025 -1.296 707 2HG2 ILE 88 HG22 ILE 88 -7.321 -2.440 -0.646 708 3HG2 ILE 88 HG23 ILE 88 -8.201 -1.243 -1.588 709 1HD1 ILE 88 HD11 ILE 88 -5.106 -0.495 -0.142 710 2HD1 ILE 88 HD12 ILE 88 -4.739 1.111 0.481 711 3HD1 ILE 88 HD13 ILE 88 -5.106 -0.201 1.590 712 H LYS 89 HN LYS 89 -10.257 -1.652 2.115 713 HA LYS 89 HA LYS 89 -9.892 0.195 4.328 714 1HB LYS 89 HB3 LYS 89 -12.102 -0.255 5.198 715 2HB LYS 89 HB2 LYS 89 -12.284 0.322 3.552 716 1HG LYS 89 HG2 LYS 89 -12.844 -1.796 2.732 717 2HG LYS 89 HG3 LYS 89 -12.348 -2.589 4.255 718 1HD LYS 89 HD3 LYS 89 -14.140 -1.085 5.344 719 2HD LYS 89 HD2 LYS 89 -14.749 -0.877 3.694 720 1HE LYS 89 HE3 LYS 89 -15.112 -3.213 3.454 721 2HE LYS 89 HE2 LYS 89 -14.291 -3.548 4.989 722 1HZ LYS 89 HZ1 LYS 89 -16.591 -3.627 5.406 723 2HZ LYS 89 HZ2 LYS 89 -16.884 -2.178 4.587 724 3HZ LYS 89 HZ3 LYS 89 -16.051 -2.163 6.053 725 HA PRO 90 HA PRO 90 -7.722 -3.705 5.093 726 1HB PRO 90 HB3 PRO 90 -6.661 -2.171 7.388 727 2HB PRO 90 HB2 PRO 90 -5.807 -2.966 6.064 728 1HG PRO 90 HG3 PRO 90 -5.995 -0.301 6.184 729 2HG PRO 90 HG2 PRO 90 -6.054 -1.170 4.640 730 1HD PRO 90 HD3 PRO 90 -8.298 0.009 6.237 731 2HD PRO 90 HD2 PRO 90 -8.023 0.027 4.480 732 H LYS 91 HN LYS 91 -10.394 -2.925 6.400 733 HA LYS 91 HA LYS 91 -10.219 -3.864 9.073 734 1HB LYS 91 HB3 LYS 91 -11.943 -2.320 8.285 735 2HB LYS 91 HB2 LYS 91 -12.708 -3.624 7.389 736 1HG LYS 91 HG3 LYS 91 -13.131 -4.816 9.449 737 2HG LYS 91 HG2 LYS 91 -12.243 -3.603 10.368 738 1HD LYS 91 HD2 LYS 91 -13.926 -1.910 9.564 739 2HD LYS 91 HD3 LYS 91 -14.865 -3.256 8.923 740 1HE LYS 91 HE2 LYS 91 -15.024 -4.220 11.166 741 2HE LYS 91 HE3 LYS 91 -14.076 -2.887 11.810 742 1HZ LYS 91 HZ1 LYS 91 -16.541 -2.308 10.335 743 2HZ LYS 91 HZ2 LYS 91 -15.790 -1.421 11.569 744 3HZ LYS 91 HZ3 LYS 91 -16.643 -2.839 11.935 745 H ASP 92 HN ASP 92 -9.038 -5.595 8.575 746 HA ASP 92 HA ASP 92 -10.552 -8.059 8.415 747 1HB ASP 92 HB3 ASP 92 -9.697 -7.413 6.071 748 2HB ASP 92 HB2 ASP 92 -8.082 -7.722 6.707 749 H PHE 93 HN PHE 93 -10.012 -8.836 10.344 750 HA PHE 93 HA PHE 93 -8.699 -9.891 11.929 751 1HB PHE 93 HB2 PHE 93 -6.333 -8.672 10.487 752 2HB PHE 93 HB3 PHE 93 -6.207 -9.667 11.926 753 HD1 PHE 93 HD1 PHE 93 -4.595 -10.486 9.820 754 HD2 PHE 93 HD2 PHE 93 -8.762 -11.214 10.335 755 HE1 PHE 93 HE1 PHE 93 -4.415 -12.515 8.435 756 HE2 PHE 93 HE2 PHE 93 -8.582 -13.238 8.957 757 HZ PHE 93 HZ PHE 93 -6.412 -13.895 8.008 758 H GLU 94 HN GLU 94 -7.800 -9.195 13.967 759 HA GLU 94 HA GLU 94 -8.271 -6.335 14.387 760 1HB GLU 94 HB3 GLU 94 -8.030 -8.617 16.346 761 2HB GLU 94 HB2 GLU 94 -8.230 -6.935 16.813 762 1HG GLU 94 HG3 GLU 94 -10.355 -6.876 15.557 763 2HG GLU 94 HG2 GLU 94 -10.154 -8.602 15.228 764 H THR 95 HN THR 95 -5.753 -8.680 14.369 765 HA THR 95 HA THR 95 -3.868 -7.348 15.969 766 HB THR 95 HB THR 95 -3.065 -8.997 13.609 767 HG1 THR 95 HG1 THR 95 -4.218 -10.108 15.953 768 1HG2 THR 95 HG21 THR 95 -1.202 -8.592 14.932 769 2HG2 THR 95 HG22 THR 95 -1.743 -10.188 15.442 770 3HG2 THR 95 HG23 THR 95 -2.103 -8.783 16.438 771 H SER 96 HN SER 96 -5.063 -6.751 12.926 772 HA SER 96 HA SER 96 -2.845 -5.048 12.084 773 1HB SER 96 HB3 SER 96 -4.380 -5.024 9.964 774 2HB SER 96 HB2 SER 96 -3.467 -6.486 10.355 775 HG SER 96 HG SER 96 -5.942 -6.518 9.945 776 H GLU 97 HN GLU 97 -5.556 -4.667 13.900 777 HA GLU 97 HA GLU 97 -6.722 -2.365 12.676 778 1HB GLU 97 HB2 GLU 97 -6.905 -3.478 15.472 779 2HB GLU 97 HB3 GLU 97 -7.736 -2.009 14.982 780 1HG GLU 97 HG3 GLU 97 -8.648 -3.507 13.061 781 2HG GLU 97 HG2 GLU 97 -8.210 -4.827 14.151 782 H TYR 98 HN TYR 98 -4.400 -2.897 15.231 783 HA TYR 98 HA TYR 98 -4.024 -0.282 16.100 784 1HB TYR 98 HB2 TYR 98 -1.913 -2.444 15.977 785 2HB TYR 98 HB3 TYR 98 -1.990 -1.094 17.108 786 HD1 TYR 98 HD1 TYR 98 -4.447 -1.029 18.362 787 HD2 TYR 98 HD2 TYR 98 -2.465 -4.478 16.857 788 HE1 TYR 98 HE1 TYR 98 -5.755 -2.444 19.895 789 HE2 TYR 98 HE2 TYR 98 -3.772 -5.899 18.375 790 HH TYR 98 HH TYR 98 -6.266 -4.521 20.506 791 H VAL 99 HN VAL 99 -2.621 -2.004 13.377 792 HA VAL 99 HA VAL 99 -0.786 0.104 12.704 793 HB VAL 99 HB VAL 99 -1.782 -2.159 10.955 794 1HG1 VAL 99 HG21 VAL 99 0.737 -0.529 10.694 795 2HG1 VAL 99 HG22 VAL 99 0.141 -1.760 9.585 796 3HG1 VAL 99 HG23 VAL 99 -0.733 -0.240 9.770 797 1HG2 VAL 99 HG11 VAL 99 0.854 -2.161 12.360 798 2HG2 VAL 99 HG12 VAL 99 -0.601 -2.678 13.206 799 3HG2 VAL 99 HG13 VAL 99 -0.099 -3.524 11.741 800 H ARG 100 HN ARG 100 -3.631 -1.251 11.112 801 HA ARG 100 HA ARG 100 -4.106 0.488 9.112 802 1HB ARG 100 HB3 ARG 100 -5.396 -1.531 9.510 803 2HB ARG 100 HB2 ARG 100 -6.167 -0.793 10.907 804 1HG ARG 100 HG2 ARG 100 -7.131 0.927 9.360 805 2HG ARG 100 HG3 ARG 100 -6.503 -0.065 8.014 806 1HD ARG 100 HD3 ARG 100 -8.757 -0.709 8.312 807 2HD ARG 100 HD2 ARG 100 -7.767 -2.001 8.982 808 HE ARG 100 HE ARG 100 -8.842 0.025 10.807 809 1HH1 ARG 100 HH11 ARG 100 -8.221 -3.318 10.296 810 2HH1 ARG 100 HH12 ARG 100 -9.737 -3.895 10.908 811 1HH2 ARG 100 HH22 ARG 100 -10.921 -0.867 11.978 812 2HH2 ARG 100 HH21 ARG 100 -10.351 -2.332 12.732 813 H LYS 101 HN LYS 101 -5.407 0.908 12.397 814 HA LYS 101 HA LYS 101 -6.782 3.289 11.825 815 1HB LYS 101 HB3 LYS 101 -5.855 1.949 14.334 816 2HB LYS 101 HB2 LYS 101 -6.612 3.539 14.394 817 1HG LYS 101 HG2 LYS 101 -8.618 2.690 13.428 818 2HG LYS 101 HG3 LYS 101 -7.839 1.149 13.050 819 1HD LYS 101 HD2 LYS 101 -7.505 0.791 15.486 820 2HD LYS 101 HD3 LYS 101 -8.454 2.252 15.786 821 1HE LYS 101 HE2 LYS 101 -9.407 -0.252 14.394 822 2HE LYS 101 HE3 LYS 101 -9.828 0.251 16.023 823 1HZ LYS 101 HZ1 LYS 101 -10.462 2.395 14.416 824 2HZ LYS 101 HZ2 LYS 101 -11.548 1.302 15.126 825 3HZ LYS 101 HZ3 LYS 101 -10.988 1.031 13.543 826 H ALA 102 HN ALA 102 -3.468 2.741 12.413 827 HA ALA 102 HA ALA 102 -3.006 5.569 13.033 828 1HB ALA 102 HB1 ALA 102 -1.701 4.438 14.517 829 2HB ALA 102 HB2 ALA 102 -1.480 3.057 13.436 830 3HB ALA 102 HB3 ALA 102 -0.549 4.536 13.171 831 H TRP 103 HN TRP 103 -1.475 3.119 10.950 832 HA TRP 103 HA TRP 103 -0.008 4.847 9.427 833 1HB TRP 103 HB2 TRP 103 0.633 3.051 8.229 834 2HB TRP 103 HB3 TRP 103 -0.060 2.237 9.618 835 HD1 TRP 103 HD1 TRP 103 -2.967 1.787 8.992 836 HE1 TRP 103 HE1 TRP 103 -3.741 0.482 6.894 837 HE3 TRP 103 HE3 TRP 103 1.237 2.221 6.172 838 HZ2 TRP 103 HZ2 TRP 103 -2.664 -0.232 4.365 839 HZ3 TRP 103 HZ3 TRP 103 1.302 1.192 3.941 840 HH2 TRP 103 HH2 TRP 103 -0.617 -0.011 3.075 841 H LEU 104 HN LEU 104 -3.393 4.559 9.259 842 HA LEU 104 HA LEU 104 -3.781 5.233 6.515 843 1HB LEU 104 HB2 LEU 104 -5.438 5.118 8.940 844 2HB LEU 104 HB3 LEU 104 -5.908 6.402 7.837 845 HG LEU 104 HG LEU 104 -6.540 4.923 6.161 846 1HD1 LEU 104 HD11 LEU 104 -5.898 2.556 6.088 847 2HD1 LEU 104 HD12 LEU 104 -4.489 3.613 6.066 848 3HD1 LEU 104 HD13 LEU 104 -4.939 2.774 7.547 849 1HD2 LEU 104 HD21 LEU 104 -7.108 3.680 8.843 850 2HD2 LEU 104 HD22 LEU 104 -8.145 4.746 7.894 851 3HD2 LEU 104 HD23 LEU 104 -7.840 3.094 7.349 852 H ARG 105 HN ARG 105 -3.615 7.064 9.475 853 HA ARG 105 HA ARG 105 -3.619 9.689 8.315 854 1HB ARG 105 HB2 ARG 105 -3.084 8.544 10.994 855 2HB ARG 105 HB3 ARG 105 -2.179 10.012 10.628 856 1HG ARG 105 HG3 ARG 105 -4.187 11.233 10.196 857 2HG ARG 105 HG2 ARG 105 -5.161 9.769 10.341 858 1HD ARG 105 HD2 ARG 105 -3.499 10.919 12.578 859 2HD ARG 105 HD3 ARG 105 -5.204 11.270 12.342 860 HE ARG 105 HE ARG 105 -4.102 8.956 13.543 861 1HH1 ARG 105 HH12 ARG 105 -7.349 10.016 12.105 862 2HH1 ARG 105 HH11 ARG 105 -7.086 8.587 11.151 863 1HH2 ARG 105 HH22 ARG 105 -5.740 6.809 13.421 864 2HH2 ARG 105 HH21 ARG 105 -6.932 7.737 14.310 865 H ASP 106 HN ASP 106 -1.149 7.301 8.915 866 HA ASP 106 HA ASP 106 1.007 9.055 8.215 867 1HB ASP 106 HB2 ASP 106 0.809 6.102 8.698 868 2HB ASP 106 HB3 ASP 106 2.241 6.773 7.926 869 H ILE 107 HN ILE 107 -1.412 7.616 6.421 870 HA ILE 107 HA ILE 107 0.099 7.055 4.021 871 HB ILE 107 HB ILE 107 -2.636 6.700 4.895 872 1HG1 ILE 107 HG12 ILE 107 -2.651 5.076 2.977 873 2HG1 ILE 107 HG13 ILE 107 -1.030 5.638 2.573 874 1HG2 ILE 107 HG21 ILE 107 -3.817 7.143 2.802 875 2HG2 ILE 107 HG22 ILE 107 -3.167 8.628 3.505 876 3HG2 ILE 107 HG23 ILE 107 -2.365 7.872 2.131 877 1HD1 ILE 107 HD11 ILE 107 -1.817 4.342 5.173 878 2HD1 ILE 107 HD12 ILE 107 -0.985 3.554 3.842 879 3HD1 ILE 107 HD13 ILE 107 -0.194 4.862 4.709 880 H ALA 108 HN ALA 108 -1.676 9.652 5.461 881 HA ALA 108 HA ALA 108 -1.781 11.367 3.205 882 1HB ALA 108 HB1 ALA 108 -2.821 11.306 5.822 883 2HB ALA 108 HB2 ALA 108 -1.867 12.788 5.700 884 3HB ALA 108 HB3 ALA 108 -3.164 12.483 4.546 885 H GLU 109 HN GLU 109 0.289 11.178 6.056 886 HA GLU 109 HA GLU 109 1.981 13.313 5.149 887 1HB GLU 109 HB2 GLU 109 2.435 11.420 7.449 888 2HB GLU 109 HB3 GLU 109 3.155 13.004 7.214 889 1HG GLU 109 HG3 GLU 109 0.827 13.960 7.353 890 2HG GLU 109 HG2 GLU 109 0.276 12.352 7.858 891 H GLU 110 HN GLU 110 1.810 10.288 3.933 892 HA GLU 110 HA GLU 110 4.486 9.426 4.157 893 1HB GLU 110 HB3 GLU 110 2.193 8.544 2.556 894 2HB GLU 110 HB2 GLU 110 3.785 8.204 1.892 895 1HG GLU 110 HG3 GLU 110 2.520 7.161 4.366 896 2HG GLU 110 HG2 GLU 110 3.449 6.318 3.135 897 H GLN 111 HN GLN 111 5.840 8.963 2.242 898 HA GLN 111 HA GLN 111 6.917 11.367 1.301 899 1HB GLN 111 HB2 GLN 111 7.489 8.516 0.673 900 2HB GLN 111 HB3 GLN 111 8.412 9.832 -0.021 901 1HG GLN 111 HG3 GLN 111 9.709 9.382 1.794 902 2HG GLN 111 HG2 GLN 111 8.602 10.560 2.508 903 1HE2 GLN 111 HE21 GLN 111 7.345 7.464 1.758 904 2HE2 GLN 111 HE22 GLN 111 7.042 7.020 3.401 905 H GLU 112 HN GLU 112 4.417 11.630 0.216 906 HA GLU 112 HA GLU 112 4.307 10.789 -2.515 907 1HB GLU 112 HB2 GLU 112 3.083 13.214 -1.149 908 2HB GLU 112 HB3 GLU 112 2.749 12.748 -2.810 909 1HG GLU 112 HG2 GLU 112 1.809 10.623 -2.015 910 2HG GLU 112 HG3 GLU 112 2.089 11.147 -0.352 911 H LYS 113 HN LYS 113 5.316 13.632 -0.770 912 HA LYS 113 HA LYS 113 6.865 14.740 -2.956 913 1HB LYS 113 HB3 LYS 113 6.203 15.535 -0.126 914 2HB LYS 113 HB2 LYS 113 7.539 16.317 -0.969 915 1HG LYS 113 HG2 LYS 113 5.679 17.722 -1.267 916 2HG LYS 113 HG3 LYS 113 5.896 16.879 -2.798 917 1HD LYS 113 HD3 LYS 113 3.610 16.776 -2.477 918 2HD LYS 113 HD2 LYS 113 4.169 15.213 -1.878 919 1HE LYS 113 HE2 LYS 113 4.036 15.991 0.401 920 2HE LYS 113 HE3 LYS 113 3.637 17.619 -0.141 921 1HZ LYS 113 HZ1 LYS 113 1.520 17.068 -0.180 922 2HZ LYS 113 HZ2 LYS 113 1.889 15.520 0.399 923 3HZ LYS 113 HZ3 LYS 113 1.815 15.807 -1.268 924 H TYR 114 HN TYR 114 8.680 13.511 -3.345 925 HA TYR 114 HA TYR 114 9.928 11.866 -1.443 926 1HB TYR 114 HB3 TYR 114 10.055 11.506 -3.858 927 2HB TYR 114 HB2 TYR 114 11.079 12.933 -4.021 928 HD1 TYR 114 HD1 TYR 114 11.069 9.943 -1.774 929 HD2 TYR 114 HD2 TYR 114 13.289 12.361 -4.481 930 HE1 TYR 114 HE1 TYR 114 13.045 8.530 -1.402 931 HE2 TYR 114 HE2 TYR 114 15.272 10.945 -4.120 932 HH TYR 114 HH TYR 114 15.213 8.215 -1.837 933 H ALA 115 HN ALA 115 10.008 15.177 -1.642 934 HA ALA 115 HA ALA 115 12.669 15.793 -0.921 935 1HB ALA 115 HB1 ALA 115 11.859 17.935 -0.282 936 2HB ALA 115 HB2 ALA 115 10.902 17.437 -1.676 937 3HB ALA 115 HB3 ALA 115 10.221 17.326 -0.054 938 H ALA 116 HN ALA 116 9.978 14.474 0.826 939 HA ALA 116 HA ALA 116 10.949 15.112 3.446 940 1HB ALA 116 HB1 ALA 116 8.864 13.147 2.517 941 2HB ALA 116 HB2 ALA 116 9.218 13.504 4.212 942 3HB ALA 116 HB3 ALA 116 8.593 14.768 3.158 943 H GLU 117 HN GLU 117 11.596 12.634 1.144 944 HA GLU 117 HA GLU 117 12.880 10.973 3.196 945 1HB GLU 117 HB3 GLU 117 11.252 10.222 1.150 946 2HB GLU 117 HB2 GLU 117 12.829 10.029 0.399 947 1HG GLU 117 HG2 GLU 117 11.948 8.751 2.986 948 2HG GLU 117 HG3 GLU 117 12.010 7.952 1.413 949 H ARG 118 HN ARG 118 14.268 13.143 2.984 950 HA ARG 118 HA ARG 118 16.532 12.432 1.250 951 1HB ARG 118 HB2 ARG 118 15.359 15.154 1.779 952 2HB ARG 118 HB3 ARG 118 16.968 14.928 1.113 953 1HG ARG 118 HG3 ARG 118 14.500 13.755 -0.134 954 2HG ARG 118 HG2 ARG 118 15.124 15.358 -0.549 955 1HD ARG 118 HD2 ARG 118 16.019 13.911 -2.170 956 2HD ARG 118 HD3 ARG 118 17.329 14.208 -1.039 957 HE ARG 118 HE ARG 118 15.946 11.857 -0.295 958 1HH1 ARG 118 HH11 ARG 118 18.688 12.907 -2.453 959 2HH1 ARG 118 HH12 ARG 118 18.070 11.699 -3.545 960 1HH2 ARG 118 HH22 ARG 118 16.896 9.619 -1.885 961 2HH2 ARG 118 HH21 ARG 118 18.243 9.911 -0.837 962 H ASP 119 HN ASP 119 15.847 14.726 3.899 963 HA ASP 119 HA ASP 119 18.416 13.999 5.099 964 1HB ASP 119 HB3 ASP 119 16.509 16.282 5.513 965 2HB ASP 119 HB2 ASP 119 17.795 15.942 6.670 Start of MODEL 25 1 1H MET 1 HT1 MET 1 8.062 12.864 12.312 2 2H MET 1 HT2 MET 1 7.377 14.370 12.767 3 3H MET 1 HT3 MET 1 8.978 13.971 13.243 4 HA MET 1 HA MET 1 8.000 14.460 10.514 5 1HB MET 1 HB3 MET 1 9.675 15.988 12.488 6 2HB MET 1 HB2 MET 1 9.868 16.255 10.761 7 1HG MET 1 HG3 MET 1 7.270 16.534 12.246 8 2HG MET 1 HG2 MET 1 8.352 17.866 11.854 9 1HE MET 1 HE1 MET 1 6.340 19.178 10.455 10 2HE MET 1 HE2 MET 1 5.192 18.194 9.534 11 3HE MET 1 HE3 MET 1 5.457 17.880 11.252 12 H GLY 2 HN GLY 2 8.821 12.751 9.400 13 1HA GLY 2 HA1 GLY 2 11.220 12.578 8.325 14 2HA GLY 2 HA2 GLY 2 11.584 11.915 9.911 15 H ASP 3 HN ASP 3 12.047 9.830 9.258 16 HA ASP 3 HA ASP 3 9.872 8.361 7.911 17 1HB ASP 3 HB2 ASP 3 12.848 7.833 8.001 18 2HB ASP 3 HB3 ASP 3 11.682 6.648 7.416 19 H THR 4 HN THR 4 11.746 5.993 8.844 20 HA THR 4 HA THR 4 10.970 5.814 11.641 21 HB THR 4 HB THR 4 10.112 3.746 9.593 22 HG1 THR 4 HG1 THR 4 8.909 6.026 10.473 23 1HG2 THR 4 HG21 THR 4 8.691 2.872 11.412 24 2HG2 THR 4 HG22 THR 4 9.504 3.964 12.532 25 3HG2 THR 4 HG23 THR 4 10.408 2.691 11.727 26 H GLY 5 HN GLY 5 12.033 3.902 12.693 27 1HA GLY 5 HA2 GLY 5 14.699 3.567 11.609 28 2HA GLY 5 HA1 GLY 5 14.123 2.989 13.167 29 H LYS 6 HN LYS 6 13.506 2.413 9.706 30 HA LYS 6 HA LYS 6 13.741 -0.466 10.241 31 1HB LYS 6 HB2 LYS 6 11.419 0.989 9.134 32 2HB LYS 6 HB3 LYS 6 11.895 -0.460 8.259 33 1HG LYS 6 HG2 LYS 6 10.277 -1.179 9.753 34 2HG LYS 6 HG3 LYS 6 11.801 -1.648 10.504 35 1HD LYS 6 HD3 LYS 6 11.664 0.117 12.077 36 2HD LYS 6 HD2 LYS 6 10.355 0.901 11.185 37 1HE LYS 6 HE2 LYS 6 8.895 -0.979 11.657 38 2HE LYS 6 HE3 LYS 6 10.189 -1.790 12.537 39 1HZ LYS 6 HZ1 LYS 6 8.988 -0.808 14.205 40 2HZ LYS 6 HZ2 LYS 6 8.624 0.579 13.292 41 3HZ LYS 6 HZ3 LYS 6 10.186 0.364 13.934 42 H LEU 7 HN LEU 7 14.105 -1.736 8.248 43 HA LEU 7 HA LEU 7 15.536 -0.147 6.216 44 1HB LEU 7 HB2 LEU 7 17.078 -1.531 7.536 45 2HB LEU 7 HB3 LEU 7 16.115 -2.950 7.169 46 HG LEU 7 HG LEU 7 16.673 -2.691 4.772 47 1HD1 LEU 7 HD11 LEU 7 17.133 -0.445 4.418 48 2HD1 LEU 7 HD12 LEU 7 18.250 -0.350 5.783 49 3HD1 LEU 7 HD13 LEU 7 18.718 -1.210 4.313 50 1HD2 LEU 7 HD21 LEU 7 18.217 -3.672 6.861 51 2HD2 LEU 7 HD22 LEU 7 18.329 -4.098 5.148 52 3HD2 LEU 7 HD23 LEU 7 19.354 -2.825 5.814 53 H GLY 8 HN GLY 8 14.911 -0.403 4.132 54 1HA GLY 8 HA2 GLY 8 13.824 -1.289 2.286 55 2HA GLY 8 HA1 GLY 8 13.562 -2.777 3.198 56 H ARG 9 HN ARG 9 11.909 -2.655 4.907 57 HA ARG 9 HA ARG 9 9.507 -1.393 3.934 58 1HB ARG 9 HB3 ARG 9 8.600 -2.518 6.103 59 2HB ARG 9 HB2 ARG 9 9.042 -3.524 4.732 60 1HG ARG 9 HG2 ARG 9 11.309 -3.769 5.803 61 2HG ARG 9 HG3 ARG 9 10.598 -3.037 7.240 62 1HD ARG 9 HD3 ARG 9 8.927 -4.799 7.355 63 2HD ARG 9 HD2 ARG 9 9.585 -5.527 5.895 64 HE ARG 9 HE ARG 9 11.102 -6.589 7.197 65 1HH1 ARG 9 HH12 ARG 9 9.494 -4.606 9.538 66 2HH1 ARG 9 HH11 ARG 9 10.960 -3.968 10.210 67 1HH2 ARG 9 HH21 ARG 9 11.841 -7.166 9.517 68 2HH2 ARG 9 HH22 ARG 9 12.777 -5.788 9.997 69 H ILE 10 HN ILE 10 9.905 0.789 4.194 70 HA ILE 10 HA ILE 10 10.809 1.783 6.751 71 HB ILE 10 HB ILE 10 11.665 2.728 4.632 72 1HG1 ILE 10 HG13 ILE 10 11.397 5.133 5.213 73 2HG1 ILE 10 HG12 ILE 10 10.146 4.692 6.373 74 1HG2 ILE 10 HG21 ILE 10 10.349 3.978 3.149 75 2HG2 ILE 10 HG22 ILE 10 9.432 2.509 3.473 76 3HG2 ILE 10 HG23 ILE 10 8.981 4.014 4.263 77 1HD1 ILE 10 HD11 ILE 10 11.641 4.020 7.902 78 2HD1 ILE 10 HD12 ILE 10 12.684 3.262 6.701 79 3HD1 ILE 10 HD13 ILE 10 12.767 5.006 6.963 80 H ILE 11 HN ILE 11 7.782 1.604 4.968 81 HA ILE 11 HA ILE 11 6.511 3.296 6.985 82 HB ILE 11 HB ILE 11 5.194 2.159 4.518 83 1HG1 ILE 11 HG13 ILE 11 6.536 4.845 4.916 84 2HG1 ILE 11 HG12 ILE 11 7.092 3.556 3.844 85 1HG2 ILE 11 HG21 ILE 11 3.415 3.569 4.957 86 2HG2 ILE 11 HG22 ILE 11 3.893 3.065 6.578 87 3HG2 ILE 11 HG23 ILE 11 4.389 4.645 5.970 88 1HD1 ILE 11 HD11 ILE 11 5.478 3.995 2.277 89 2HD1 ILE 11 HD12 ILE 11 4.361 4.691 3.453 90 3HD1 ILE 11 HD13 ILE 11 5.764 5.610 2.919 91 H ARG 12 HN ARG 12 4.467 0.974 5.468 92 HA ARG 12 HA ARG 12 4.693 -0.936 7.650 93 1HB ARG 12 HB2 ARG 12 3.303 0.731 8.670 94 2HB ARG 12 HB3 ARG 12 2.289 0.839 7.243 95 1HG ARG 12 HG3 ARG 12 1.036 -0.340 8.816 96 2HG ARG 12 HG2 ARG 12 1.638 -1.567 7.704 97 1HD ARG 12 HD3 ARG 12 3.414 -2.139 9.249 98 2HD ARG 12 HD2 ARG 12 2.873 -0.869 10.352 99 HE ARG 12 HE ARG 12 0.705 -2.581 9.852 100 1HH1 ARG 12 HH11 ARG 12 3.716 -2.641 11.979 101 2HH1 ARG 12 HH12 ARG 12 3.618 -4.351 11.577 102 1HH2 ARG 12 HH21 ARG 12 0.497 -4.731 11.261 103 2HH2 ARG 12 HH22 ARG 12 0.880 -4.101 12.841 104 H HIS 13 HN HIS 13 3.444 -2.830 7.363 105 HA HIS 13 HA HIS 13 2.346 -3.187 4.668 106 1HB HIS 13 HB2 HIS 13 3.266 -5.422 4.547 107 2HB HIS 13 HB3 HIS 13 4.568 -4.287 4.839 108 HD1 HIS 13 HD1 HIS 13 5.274 -4.151 7.546 109 HD2 HIS 13 HD2 HIS 13 3.330 -7.570 6.186 110 HE1 HIS 13 HE1 HIS 13 5.639 -5.895 9.317 111 HE2 HIS 13 HE2 HIS 13 4.373 -7.919 8.527 112 H ASP 14 HN ASP 14 0.276 -3.789 4.712 113 HA ASP 14 HA ASP 14 -0.705 -5.443 6.923 114 1HB ASP 14 HB2 ASP 14 -1.274 -2.624 6.538 115 2HB ASP 14 HB3 ASP 14 -2.740 -3.594 6.550 116 H ALA 15 HN ALA 15 -2.299 -6.835 6.361 117 HA ALA 15 HA ALA 15 -2.873 -7.121 3.540 118 1HB ALA 15 HB1 ALA 15 -3.514 -9.281 4.026 119 2HB ALA 15 HB2 ALA 15 -2.334 -8.963 5.298 120 3HB ALA 15 HB3 ALA 15 -4.058 -8.866 5.656 121 H PHE 16 HN PHE 16 -4.550 -6.151 2.602 122 HA PHE 16 HA PHE 16 -6.906 -5.616 4.271 123 1HB PHE 16 HB2 PHE 16 -5.662 -3.954 2.109 124 2HB PHE 16 HB3 PHE 16 -7.355 -3.766 2.537 125 HD1 PHE 16 HD1 PHE 16 -4.038 -3.945 4.224 126 HD2 PHE 16 HD2 PHE 16 -7.881 -2.141 4.055 127 HE1 PHE 16 HE1 PHE 16 -3.405 -2.424 6.046 128 HE2 PHE 16 HE2 PHE 16 -7.262 -0.630 5.896 129 HZ PHE 16 HZ PHE 16 -5.015 -0.772 6.886 130 H GLN 17 HN GLN 17 -8.112 -7.334 3.801 131 HA GLN 17 HA GLN 17 -8.590 -8.256 1.122 132 1HB GLN 17 HB3 GLN 17 -8.714 -9.763 3.069 133 2HB GLN 17 HB2 GLN 17 -10.054 -8.829 3.723 134 1HG GLN 17 HG3 GLN 17 -11.384 -9.450 1.717 135 2HG GLN 17 HG2 GLN 17 -10.045 -10.482 1.201 136 1HE2 GLN 17 HE21 GLN 17 -12.948 -10.692 2.440 137 2HE2 GLN 17 HE22 GLN 17 -12.771 -12.193 3.264 138 H VAL 18 HN VAL 18 -9.480 -6.690 -0.139 139 HA VAL 18 HA VAL 18 -12.094 -5.639 0.695 140 HB VAL 18 HB VAL 18 -10.503 -3.732 -0.849 141 1HG1 VAL 18 HG21 VAL 18 -12.008 -2.386 0.090 142 2HG1 VAL 18 HG22 VAL 18 -12.652 -3.750 0.987 143 3HG1 VAL 18 HG23 VAL 18 -11.381 -2.764 1.687 144 1HG2 VAL 18 HG11 VAL 18 -8.668 -3.556 0.378 145 2HG2 VAL 18 HG12 VAL 18 -9.616 -3.505 1.874 146 3HG2 VAL 18 HG13 VAL 18 -9.120 -5.050 1.188 147 H TRP 19 HN TRP 19 -11.786 -3.789 -1.633 148 HA TRP 19 HA TRP 19 -12.352 -5.627 -3.875 149 1HB TRP 19 HB2 TRP 19 -13.762 -3.029 -3.198 150 2HB TRP 19 HB3 TRP 19 -14.162 -4.129 -4.521 151 HD1 TRP 19 HD1 TRP 19 -15.411 -6.406 -3.893 152 HE1 TRP 19 HE1 TRP 19 -16.806 -7.109 -1.848 153 HE3 TRP 19 HE3 TRP 19 -13.949 -2.739 -0.591 154 HZ2 TRP 19 HZ2 TRP 19 -17.227 -6.235 0.800 155 HZ3 TRP 19 HZ3 TRP 19 -14.896 -2.762 1.675 156 HH2 TRP 19 HH2 TRP 19 -16.505 -4.473 2.353 157 H GLU 20 HN GLU 20 -11.051 -5.103 -5.744 158 HA GLU 20 HA GLU 20 -9.491 -2.677 -5.606 159 1HB GLU 20 HB2 GLU 20 -8.677 -5.030 -6.225 160 2HB GLU 20 HB3 GLU 20 -9.552 -4.809 -7.726 161 1HG GLU 20 HG3 GLU 20 -8.089 -3.193 -8.494 162 2HG GLU 20 HG2 GLU 20 -7.466 -2.850 -6.875 163 H GLY 21 HN GLY 21 -12.101 -2.138 -5.827 164 1HA GLY 21 HA2 GLY 21 -12.479 -0.324 -7.787 165 2HA GLY 21 HA1 GLY 21 -12.953 -1.836 -8.562 166 H ASP 22 HN ASP 22 -15.161 -1.462 -8.653 167 HA ASP 22 HA ASP 22 -16.454 -1.139 -6.025 168 1HB ASP 22 HB3 ASP 22 -18.332 -0.089 -7.088 169 2HB ASP 22 HB2 ASP 22 -16.882 0.716 -7.669 170 H GLU 23 HN GLU 23 -15.483 -3.557 -7.605 171 HA GLU 23 HA GLU 23 -17.844 -5.138 -7.048 172 1HB GLU 23 HB3 GLU 23 -18.374 -4.531 -9.289 173 2HB GLU 23 HB2 GLU 23 -16.755 -4.926 -9.848 174 1HG GLU 23 HG2 GLU 23 -17.201 -7.304 -9.244 175 2HG GLU 23 HG3 GLU 23 -18.867 -6.849 -8.899 176 HA PRO 24 HA PRO 24 -14.358 -8.292 -7.927 177 1HB PRO 24 HB2 PRO 24 -11.930 -6.786 -8.589 178 2HB PRO 24 HB3 PRO 24 -12.690 -8.126 -9.444 179 1HG PRO 24 HG2 PRO 24 -12.713 -5.619 -10.426 180 2HG PRO 24 HG3 PRO 24 -14.058 -6.747 -10.683 181 1HD PRO 24 HD3 PRO 24 -13.824 -4.498 -8.715 182 2HD PRO 24 HD2 PRO 24 -15.202 -4.971 -9.724 183 HA PRO 25 HA PRO 25 -12.728 -7.247 -3.821 184 1HB PRO 25 HB2 PRO 25 -13.431 -9.907 -3.007 185 2HB PRO 25 HB3 PRO 25 -14.217 -8.387 -2.562 186 1HG PRO 25 HG3 PRO 25 -15.395 -10.331 -4.115 187 2HG PRO 25 HG2 PRO 25 -15.823 -8.619 -4.178 188 1HD PRO 25 HD2 PRO 25 -14.014 -10.173 -5.998 189 2HD PRO 25 HD3 PRO 25 -15.257 -8.966 -6.406 190 H LYS 26 HN LYS 26 -10.628 -7.501 -3.315 191 HA LYS 26 HA LYS 26 -9.329 -10.056 -3.940 192 1HB LYS 26 HB3 LYS 26 -8.309 -7.321 -4.700 193 2HB LYS 26 HB2 LYS 26 -7.330 -8.776 -4.728 194 1HG LYS 26 HG2 LYS 26 -8.838 -9.729 -6.414 195 2HG LYS 26 HG3 LYS 26 -9.756 -8.222 -6.408 196 1HD LYS 26 HD3 LYS 26 -7.742 -6.996 -7.039 197 2HD LYS 26 HD2 LYS 26 -6.826 -8.503 -7.064 198 1HE LYS 26 HE3 LYS 26 -8.256 -9.344 -8.853 199 2HE LYS 26 HE2 LYS 26 -9.155 -7.829 -8.837 200 1HZ LYS 26 HZ1 LYS 26 -6.425 -8.350 -9.766 201 2HZ LYS 26 HZ2 LYS 26 -6.793 -6.810 -9.175 202 3HZ LYS 26 HZ3 LYS 26 -7.649 -7.440 -10.497 203 H LEU 27 HN LEU 27 -7.671 -10.627 -2.596 204 HA LEU 27 HA LEU 27 -7.456 -9.164 -0.091 205 1HB LEU 27 HB3 LEU 27 -7.700 -11.559 0.076 206 2HB LEU 27 HB2 LEU 27 -6.372 -11.825 -1.027 207 HG LEU 27 HG LEU 27 -4.812 -10.893 0.649 208 1HD1 LEU 27 HD21 LEU 27 -6.215 -9.430 1.882 209 2HD1 LEU 27 HD22 LEU 27 -7.289 -10.744 2.350 210 3HD1 LEU 27 HD23 LEU 27 -5.650 -10.676 2.985 211 1HD2 LEU 27 HD11 LEU 27 -6.473 -13.319 1.188 212 2HD2 LEU 27 HD12 LEU 27 -4.777 -13.186 0.723 213 3HD2 LEU 27 HD13 LEU 27 -5.267 -12.817 2.376 214 H ARG 28 HN ARG 28 -6.286 -7.321 -0.642 215 HA ARG 28 HA ARG 28 -3.714 -7.716 -1.960 216 1HB ARG 28 HB3 ARG 28 -5.478 -5.366 -1.493 217 2HB ARG 28 HB2 ARG 28 -3.756 -5.080 -1.696 218 1HG ARG 28 HG3 ARG 28 -4.614 -4.841 -3.841 219 2HG ARG 28 HG2 ARG 28 -3.995 -6.500 -3.835 220 1HD ARG 28 HD3 ARG 28 -6.219 -6.318 -4.867 221 2HD ARG 28 HD2 ARG 28 -6.195 -7.380 -3.463 222 HE ARG 28 HE ARG 28 -7.785 -6.048 -2.542 223 1HH1 ARG 28 HH11 ARG 28 -6.552 -4.264 -5.285 224 2HH1 ARG 28 HH12 ARG 28 -6.422 -2.813 -4.353 225 1HH2 ARG 28 HH21 ARG 28 -9.432 -3.862 -3.272 226 2HH2 ARG 28 HH22 ARG 28 -8.372 -3.008 -2.195 227 H TYR 29 HN TYR 29 -1.936 -7.885 -0.911 228 HA TYR 29 HA TYR 29 -1.797 -7.214 1.905 229 1HB TYR 29 HB2 TYR 29 0.170 -8.448 -0.035 230 2HB TYR 29 HB3 TYR 29 0.564 -8.096 1.642 231 HD1 TYR 29 HD1 TYR 29 1.040 -10.723 0.916 232 HD2 TYR 29 HD2 TYR 29 -2.718 -9.009 1.938 233 HE1 TYR 29 HE1 TYR 29 0.236 -12.928 1.638 234 HE2 TYR 29 HE2 TYR 29 -3.531 -11.217 2.662 235 HH TYR 29 HH TYR 29 -2.989 -13.347 3.066 236 H VAL 30 HN VAL 30 -1.938 -5.000 1.952 237 HA VAL 30 HA VAL 30 -0.582 -3.276 0.180 238 HB VAL 30 HB VAL 30 -1.701 -2.595 2.902 239 1HG1 VAL 30 HG21 VAL 30 -1.780 -0.325 2.138 240 2HG1 VAL 30 HG22 VAL 30 -0.147 -0.918 1.862 241 3HG1 VAL 30 HG23 VAL 30 -1.278 -0.803 0.509 242 1HG2 VAL 30 HG11 VAL 30 -3.396 -3.647 1.500 243 2HG2 VAL 30 HG12 VAL 30 -3.723 -1.921 1.690 244 3HG2 VAL 30 HG13 VAL 30 -3.019 -2.521 0.184 245 H PHE 31 HN PHE 31 1.499 -3.115 0.059 246 HA PHE 31 HA PHE 31 3.117 -2.992 2.526 247 1HB PHE 31 HB3 PHE 31 4.110 -3.530 -0.286 248 2HB PHE 31 HB2 PHE 31 5.015 -3.689 1.210 249 HD1 PHE 31 HD1 PHE 31 3.971 -5.410 2.920 250 HD2 PHE 31 HD2 PHE 31 3.351 -5.444 -1.297 251 HE1 PHE 31 HE1 PHE 31 3.456 -7.808 3.027 252 HE2 PHE 31 HE2 PHE 31 2.833 -7.859 -1.194 253 HZ PHE 31 HZ PHE 31 2.884 -9.039 0.973 254 H LEU 32 HN LEU 32 3.802 -0.885 2.947 255 HA LEU 32 HA LEU 32 4.050 0.771 0.524 256 1HB LEU 32 HB2 LEU 32 3.758 2.116 3.155 257 2HB LEU 32 HB3 LEU 32 3.482 2.716 1.528 258 HG LEU 32 HG LEU 32 1.637 0.973 3.166 259 1HD1 LEU 32 HD11 LEU 32 1.990 3.786 2.729 260 2HD1 LEU 32 HD12 LEU 32 0.437 3.270 2.053 261 3HD1 LEU 32 HD13 LEU 32 0.816 2.952 3.748 262 1HD2 LEU 32 HD21 LEU 32 1.160 0.092 1.138 263 2HD2 LEU 32 HD22 LEU 32 0.183 1.555 1.040 264 3HD2 LEU 32 HD23 LEU 32 1.762 1.496 0.249 265 H PHE 33 HN PHE 33 5.934 1.700 0.112 266 HA PHE 33 HA PHE 33 7.925 1.768 2.268 267 1HB PHE 33 HB2 PHE 33 8.544 0.930 -0.573 268 2HB PHE 33 HB3 PHE 33 9.651 0.937 0.794 269 HD1 PHE 33 HD1 PHE 33 8.539 -0.470 2.882 270 HD2 PHE 33 HD2 PHE 33 7.957 -1.168 -1.277 271 HE1 PHE 33 HE1 PHE 33 7.976 -2.822 3.351 272 HE2 PHE 33 HE2 PHE 33 7.423 -3.525 -0.814 273 HZ PHE 33 HZ PHE 33 7.424 -4.351 1.505 274 H ARG 34 HN ARG 34 9.993 2.893 0.885 275 HA ARG 34 HA ARG 34 8.961 5.546 0.334 276 1HB ARG 34 HB2 ARG 34 10.986 5.298 1.691 277 2HB ARG 34 HB3 ARG 34 11.778 4.432 0.380 278 1HG ARG 34 HG2 ARG 34 11.634 6.474 -1.004 279 2HG ARG 34 HG3 ARG 34 10.948 7.327 0.382 280 1HD ARG 34 HD2 ARG 34 13.685 6.058 0.241 281 2HD ARG 34 HD3 ARG 34 13.330 7.788 0.183 282 HE ARG 34 HE ARG 34 12.803 7.750 2.469 283 1HH1 ARG 34 HH11 ARG 34 15.203 5.091 2.200 284 2HH1 ARG 34 HH12 ARG 34 13.798 4.125 1.893 285 1HH2 ARG 34 HH21 ARG 34 12.602 6.518 4.546 286 2HH2 ARG 34 HH22 ARG 34 14.103 5.645 4.719 287 H ASN 35 HN ASN 35 8.799 6.444 -1.675 288 HA ASN 35 HA ASN 35 9.026 6.766 -3.918 289 1HB ASN 35 HB3 ASN 35 11.332 5.954 -3.785 290 2HB ASN 35 HB2 ASN 35 10.772 4.291 -3.881 291 1HD2 ASN 35 HD21 ASN 35 11.769 6.989 -5.563 292 2HD2 ASN 35 HD22 ASN 35 11.193 6.593 -7.149 293 H LYS 36 HN LYS 36 7.789 3.825 -2.568 294 HA LYS 36 HA LYS 36 5.696 3.841 -4.458 295 1HB LYS 36 HB3 LYS 36 6.017 1.743 -5.589 296 2HB LYS 36 HB2 LYS 36 7.372 2.818 -5.906 297 1HG LYS 36 HG3 LYS 36 8.852 1.504 -4.833 298 2HG LYS 36 HG2 LYS 36 7.661 0.902 -3.674 299 1HD LYS 36 HD3 LYS 36 6.810 -0.652 -5.192 300 2HD LYS 36 HD2 LYS 36 7.464 0.196 -6.578 301 1HE LYS 36 HE2 LYS 36 9.734 -0.437 -5.846 302 2HE LYS 36 HE3 LYS 36 9.023 -1.344 -4.513 303 1HZ LYS 36 HZ1 LYS 36 9.555 -2.772 -6.408 304 2HZ LYS 36 HZ2 LYS 36 8.511 -1.859 -7.394 305 3HZ LYS 36 HZ3 LYS 36 7.888 -2.747 -6.087 306 H ILE 37 HN ILE 37 4.264 2.027 -4.362 307 HA ILE 37 HA ILE 37 4.032 0.871 -1.640 308 HB ILE 37 HB ILE 37 1.933 1.721 -3.658 309 1HG1 ILE 37 HG13 ILE 37 2.377 2.634 -0.812 310 2HG1 ILE 37 HG12 ILE 37 2.873 3.527 -2.246 311 1HG2 ILE 37 HG21 ILE 37 1.483 -0.478 -2.505 312 2HG2 ILE 37 HG22 ILE 37 1.328 0.454 -1.012 313 3HG2 ILE 37 HG23 ILE 37 0.238 0.764 -2.363 314 1HD1 ILE 37 HD11 ILE 37 0.672 4.138 -1.024 315 2HD1 ILE 37 HD12 ILE 37 0.720 4.103 -2.791 316 3HD1 ILE 37 HD13 ILE 37 0.011 2.753 -1.899 317 H MET 38 HN MET 38 4.180 -1.395 -1.725 318 HA MET 38 HA MET 38 4.034 -2.691 -4.334 319 1HB MET 38 HB2 MET 38 4.844 -3.703 -1.611 320 2HB MET 38 HB3 MET 38 4.610 -4.781 -2.984 321 1HG MET 38 HG2 MET 38 6.564 -2.497 -2.867 322 2HG MET 38 HG3 MET 38 6.954 -4.195 -2.628 323 1HE MET 38 HE1 MET 38 6.059 -5.929 -4.176 324 2HE MET 38 HE2 MET 38 5.141 -5.526 -5.631 325 3HE MET 38 HE3 MET 38 6.862 -5.916 -5.752 326 H PHE 39 HN PHE 39 2.324 -3.745 -5.041 327 HA PHE 39 HA PHE 39 0.161 -4.282 -3.119 328 1HB PHE 39 HB3 PHE 39 0.260 -2.169 -4.782 329 2HB PHE 39 HB2 PHE 39 -0.604 -3.333 -5.789 330 HD1 PHE 39 HD1 PHE 39 -0.571 -2.353 -2.222 331 HD2 PHE 39 HD2 PHE 39 -2.870 -3.099 -5.723 332 HE1 PHE 39 HE1 PHE 39 -2.629 -1.836 -0.984 333 HE2 PHE 39 HE2 PHE 39 -4.932 -2.597 -4.483 334 HZ PHE 39 HZ PHE 39 -4.810 -1.969 -2.103 335 H THR 40 HN THR 40 0.839 -6.539 -3.374 336 HA THR 40 HA THR 40 0.379 -7.781 -5.930 337 HB THR 40 HB THR 40 2.019 -8.808 -4.520 338 HG1 THR 40 HG1 THR 40 0.580 -10.189 -5.756 339 1HG2 THR 40 HG21 THR 40 -0.119 -9.302 -2.481 340 2HG2 THR 40 HG22 THR 40 1.216 -8.170 -2.314 341 3HG2 THR 40 HG23 THR 40 1.534 -9.901 -2.424 342 H GLU 41 HN GLU 41 -1.521 -8.062 -6.707 343 HA GLU 41 HA GLU 41 -3.843 -7.854 -4.992 344 1HB GLU 41 HB2 GLU 41 -5.114 -7.446 -6.989 345 2HB GLU 41 HB3 GLU 41 -3.640 -6.495 -7.043 346 1HG GLU 41 HG2 GLU 41 -4.243 -8.982 -8.621 347 2HG GLU 41 HG3 GLU 41 -4.124 -7.338 -9.225 348 H GLN 42 HN GLN 42 -3.391 -9.912 -3.974 349 HA GLN 42 HA GLN 42 -3.904 -12.318 -5.495 350 1HB GLN 42 HB2 GLN 42 -3.634 -11.943 -2.497 351 2HB GLN 42 HB3 GLN 42 -3.638 -13.485 -3.349 352 1HG GLN 42 HG3 GLN 42 -1.560 -12.942 -4.431 353 2HG GLN 42 HG2 GLN 42 -1.573 -11.328 -3.717 354 1HE2 GLN 42 HE21 GLN 42 -2.772 -13.576 -1.540 355 2HE2 GLN 42 HE22 GLN 42 -1.353 -13.713 -0.568 356 H ASP 43 HN ASP 43 -5.496 -13.849 -3.998 357 HA ASP 43 HA ASP 43 -8.013 -12.350 -3.715 358 1HB ASP 43 HB3 ASP 43 -7.650 -13.929 -5.789 359 2HB ASP 43 HB2 ASP 43 -7.967 -15.211 -4.616 360 H ALA 44 HN ALA 44 -9.308 -12.987 -1.949 361 HA ALA 44 HA ALA 44 -7.975 -13.963 0.300 362 1HB ALA 44 HB1 ALA 44 -10.369 -14.318 1.177 363 2HB ALA 44 HB2 ALA 44 -9.836 -12.683 0.781 364 3HB ALA 44 HB3 ALA 44 -10.863 -13.574 -0.343 365 H SER 45 HN SER 45 -7.011 -15.925 0.084 366 HA SER 45 HA SER 45 -8.623 -18.219 0.462 367 1HB SER 45 HB2 SER 45 -8.856 -17.993 -1.998 368 2HB SER 45 HB3 SER 45 -7.092 -18.039 -2.152 369 HG SER 45 HG SER 45 -8.781 -20.101 -1.148 370 H THR 46 HN THR 46 -7.469 -19.724 1.519 371 HA THR 46 HA THR 46 -4.708 -19.086 2.123 372 HB THR 46 HB THR 46 -4.983 -21.069 3.713 373 HG1 THR 46 HG1 THR 46 -7.365 -21.376 4.105 374 1HG2 THR 46 HG21 THR 46 -5.159 -18.852 4.591 375 2HG2 THR 46 HG22 THR 46 -6.453 -19.836 5.274 376 3HG2 THR 46 HG23 THR 46 -6.804 -18.693 3.974 377 H SER 47 HN SER 47 -5.903 -20.387 -0.385 378 HA SER 47 HA SER 47 -3.804 -22.419 -0.757 379 1HB SER 47 HB3 SER 47 -6.554 -22.368 -2.064 380 2HB SER 47 HB2 SER 47 -5.309 -23.607 -2.288 381 HG SER 47 HG SER 47 -5.985 -23.209 0.334 382 HA PRO 48 HA PRO 48 -2.165 -19.891 -4.030 383 1HB PRO 48 HB3 PRO 48 -2.598 -21.762 -6.157 384 2HB PRO 48 HB2 PRO 48 -1.097 -21.422 -5.304 385 1HG PRO 48 HG2 PRO 48 -3.033 -23.622 -4.907 386 2HG PRO 48 HG3 PRO 48 -1.301 -23.550 -4.510 387 1HD PRO 48 HD3 PRO 48 -3.204 -23.480 -2.611 388 2HD PRO 48 HD2 PRO 48 -1.680 -22.572 -2.459 389 HA PRO 49 HA PRO 49 -6.225 -18.696 -5.680 390 1HB PRO 49 HB2 PRO 49 -6.119 -16.098 -5.152 391 2HB PRO 49 HB3 PRO 49 -6.290 -17.274 -3.836 392 1HG PRO 49 HG2 PRO 49 -3.860 -15.785 -4.749 393 2HG PRO 49 HG3 PRO 49 -4.393 -16.157 -3.099 394 1HD PRO 49 HD3 PRO 49 -2.496 -17.605 -4.573 395 2HD PRO 49 HD2 PRO 49 -3.344 -18.182 -3.114 396 H SER 50 HN SER 50 -6.740 -16.542 -7.069 397 HA SER 50 HA SER 50 -4.872 -16.690 -9.325 398 1HB SER 50 HB2 SER 50 -7.756 -15.776 -9.291 399 2HB SER 50 HB3 SER 50 -6.750 -15.987 -10.718 400 HG SER 50 HG SER 50 -6.915 -18.173 -9.016 401 H TYR 51 HN TYR 51 -3.528 -15.079 -9.580 402 HA TYR 51 HA TYR 51 -4.448 -12.348 -9.190 403 1HB TYR 51 HB2 TYR 51 -2.435 -11.695 -7.942 404 2HB TYR 51 HB3 TYR 51 -3.390 -12.869 -7.058 405 HD1 TYR 51 HD1 TYR 51 -2.575 -15.445 -7.735 406 HD2 TYR 51 HD2 TYR 51 -0.200 -11.911 -7.669 407 HE1 TYR 51 HE1 TYR 51 -0.566 -16.817 -7.357 408 HE2 TYR 51 HE2 TYR 51 1.819 -13.272 -7.310 409 HH TYR 51 HH TYR 51 1.876 -16.267 -6.214 410 H THR 52 HN THR 52 -3.648 -10.950 -10.664 411 HA THR 52 HA THR 52 -2.599 -11.973 -13.040 412 HB THR 52 HB THR 52 -2.176 -9.365 -13.417 413 HG1 THR 52 HG1 THR 52 -2.762 -9.237 -10.969 414 1HG2 THR 52 HG21 THR 52 -4.320 -9.150 -14.287 415 2HG2 THR 52 HG22 THR 52 -5.014 -10.253 -13.099 416 3HG2 THR 52 HG23 THR 52 -3.996 -10.877 -14.385 417 H HIS 53 HN HIS 53 -0.941 -10.027 -10.553 418 HA HIS 53 HA HIS 53 1.581 -11.263 -11.042 419 1HB HIS 53 HB3 HIS 53 1.152 -9.690 -13.067 420 2HB HIS 53 HB2 HIS 53 1.466 -8.383 -11.933 421 HD1 HIS 53 HD1 HIS 53 3.492 -7.769 -13.475 422 HD2 HIS 53 HD2 HIS 53 3.785 -11.435 -11.524 423 HE1 HIS 53 HE1 HIS 53 5.899 -8.478 -13.716 424 HE2 HIS 53 HE2 HIS 53 6.049 -10.724 -12.568 425 H TYR 54 HN TYR 54 2.365 -8.124 -10.548 426 HA TYR 54 HA TYR 54 1.687 -7.992 -7.720 427 1HB TYR 54 HB3 TYR 54 4.543 -7.745 -8.723 428 2HB TYR 54 HB2 TYR 54 4.007 -7.447 -7.077 429 HD1 TYR 54 HD1 TYR 54 4.418 -10.124 -9.633 430 HD2 TYR 54 HD2 TYR 54 3.785 -9.191 -5.529 431 HE1 TYR 54 HE1 TYR 54 4.799 -12.484 -9.041 432 HE2 TYR 54 HE2 TYR 54 4.178 -11.537 -4.928 433 HH TYR 54 HH TYR 54 4.564 -14.041 -7.367 434 H SER 55 HN SER 55 0.308 -6.325 -8.339 435 HA SER 55 HA SER 55 0.848 -4.202 -10.012 436 1HB SER 55 HB3 SER 55 -0.806 -4.087 -7.474 437 2HB SER 55 HB2 SER 55 -0.923 -2.980 -8.843 438 HG SER 55 HG SER 55 -1.526 -5.761 -8.806 439 H SER 56 HN SER 56 2.354 -2.722 -10.023 440 HA SER 56 HA SER 56 3.552 -1.909 -7.465 441 1HB SER 56 HB3 SER 56 4.677 -1.562 -10.268 442 2HB SER 56 HB2 SER 56 5.481 -1.132 -8.757 443 HG SER 56 HG SER 56 4.540 -3.747 -9.062 444 H ILE 57 HN ILE 57 2.663 -0.196 -6.675 445 HA ILE 57 HA ILE 57 1.738 1.940 -8.476 446 HB ILE 57 HB ILE 57 0.801 1.012 -5.777 447 1HG1 ILE 57 HG13 ILE 57 -0.429 1.492 -8.467 448 2HG1 ILE 57 HG12 ILE 57 -0.472 0.041 -7.465 449 1HG2 ILE 57 HG21 ILE 57 0.169 3.731 -6.906 450 2HG2 ILE 57 HG22 ILE 57 -0.555 2.992 -5.471 451 3HG2 ILE 57 HG23 ILE 57 1.154 3.410 -5.492 452 1HD1 ILE 57 HD11 ILE 57 -1.882 1.439 -5.844 453 2HD1 ILE 57 HD12 ILE 57 -2.077 2.556 -7.205 454 3HD1 ILE 57 HD13 ILE 57 -2.640 0.887 -7.341 455 H ARG 58 HN ARG 58 3.102 3.612 -8.599 456 HA ARG 58 HA ARG 58 5.170 3.954 -6.630 457 1HB ARG 58 HB2 ARG 58 6.077 5.679 -7.972 458 2HB ARG 58 HB3 ARG 58 5.499 4.447 -9.106 459 1HG ARG 58 HG2 ARG 58 3.889 6.882 -8.372 460 2HG ARG 58 HG3 ARG 58 5.055 6.871 -9.691 461 1HD ARG 58 HD3 ARG 58 2.811 4.886 -9.498 462 2HD ARG 58 HD2 ARG 58 2.643 6.441 -10.316 463 HE ARG 58 HE ARG 58 4.912 5.109 -11.301 464 1HH1 ARG 58 HH12 ARG 58 1.441 3.854 -11.602 465 2HH1 ARG 58 HH11 ARG 58 1.374 5.091 -12.836 466 1HH2 ARG 58 HH22 ARG 58 4.517 3.256 -13.122 467 2HH2 ARG 58 HH21 ARG 58 3.976 4.573 -14.117 468 H LEU 59 HN LEU 59 5.272 5.404 -4.996 469 HA LEU 59 HA LEU 59 2.934 6.605 -4.015 470 1HB LEU 59 HB2 LEU 59 5.198 5.797 -2.922 471 2HB LEU 59 HB3 LEU 59 5.698 7.439 -3.246 472 HG LEU 59 HG LEU 59 3.851 8.281 -1.849 473 1HD1 LEU 59 HD11 LEU 59 3.128 5.426 -1.889 474 2HD1 LEU 59 HD12 LEU 59 3.014 6.209 -0.322 475 3HD1 LEU 59 HD13 LEU 59 2.115 6.856 -1.686 476 1HD2 LEU 59 HD21 LEU 59 4.854 7.755 0.240 477 2HD2 LEU 59 HD22 LEU 59 5.475 6.219 -0.366 478 3HD2 LEU 59 HD23 LEU 59 6.149 7.737 -0.958 479 H ASP 60 HN ASP 60 5.916 7.866 -5.313 480 HA ASP 60 HA ASP 60 5.995 10.428 -5.381 481 1HB ASP 60 HB2 ASP 60 6.125 8.808 -7.918 482 2HB ASP 60 HB3 ASP 60 6.653 10.481 -7.796 483 H LYS 61 HN LYS 61 3.911 9.007 -7.941 484 HA LYS 61 HA LYS 61 2.180 11.358 -7.642 485 1HB LYS 61 HB2 LYS 61 3.629 10.466 -10.057 486 2HB LYS 61 HB3 LYS 61 1.937 10.883 -10.305 487 1HG LYS 61 HG3 LYS 61 3.225 12.823 -10.759 488 2HG LYS 61 HG2 LYS 61 2.403 13.094 -9.221 489 1HD LYS 61 HD3 LYS 61 4.533 12.297 -8.103 490 2HD LYS 61 HD2 LYS 61 5.289 12.405 -9.694 491 1HE LYS 61 HE2 LYS 61 4.741 14.771 -9.813 492 2HE LYS 61 HE3 LYS 61 3.963 14.682 -8.235 493 1HZ LYS 61 HZ1 LYS 61 5.955 14.504 -7.153 494 2HZ LYS 61 HZ2 LYS 61 6.440 15.460 -8.479 495 3HZ LYS 61 HZ3 LYS 61 6.747 13.786 -8.478 496 H TYR 62 HN TYR 62 0.488 10.314 -6.670 497 HA TYR 62 HA TYR 62 -1.199 8.798 -8.425 498 1HB TYR 62 HB3 TYR 62 -1.493 6.853 -7.154 499 2HB TYR 62 HB2 TYR 62 0.253 7.098 -7.113 500 HD1 TYR 62 HD1 TYR 62 -2.845 7.162 -5.131 501 HD2 TYR 62 HD2 TYR 62 1.373 7.677 -5.076 502 HE1 TYR 62 HE1 TYR 62 -2.869 7.025 -2.667 503 HE2 TYR 62 HE2 TYR 62 1.364 7.551 -2.627 504 HH TYR 62 HH TYR 62 -0.535 8.047 -0.742 505 H ASN 63 HN ASN 63 -3.456 8.883 -7.653 506 HA ASN 63 HA ASN 63 -3.834 11.134 -5.817 507 1HB ASN 63 HB3 ASN 63 -5.714 9.885 -7.839 508 2HB ASN 63 HB2 ASN 63 -6.184 11.156 -6.724 509 1HD2 ASN 63 HD21 ASN 63 -3.107 11.971 -7.393 510 2HD2 ASN 63 HD22 ASN 63 -3.356 12.976 -8.785 511 H ILE 64 HN ILE 64 -4.966 10.905 -3.945 512 HA ILE 64 HA ILE 64 -6.252 8.352 -3.406 513 HB ILE 64 HB ILE 64 -3.806 8.182 -2.888 514 1HG1 ILE 64 HG13 ILE 64 -5.699 6.824 -1.794 515 2HG1 ILE 64 HG12 ILE 64 -4.104 6.808 -1.045 516 1HG2 ILE 64 HG21 ILE 64 -2.786 9.752 -1.740 517 2HG2 ILE 64 HG22 ILE 64 -4.317 10.577 -1.449 518 3HG2 ILE 64 HG23 ILE 64 -3.752 9.339 -0.330 519 1HD1 ILE 64 HD11 ILE 64 -5.467 7.052 0.758 520 2HD1 ILE 64 HD12 ILE 64 -5.048 8.722 0.404 521 3HD1 ILE 64 HD13 ILE 64 -6.608 8.079 -0.098 522 H ARG 65 HN ARG 65 -7.771 8.353 -1.817 523 HA ARG 65 HA ARG 65 -8.245 10.721 -0.168 524 1HB ARG 65 HB3 ARG 65 -10.356 9.524 -1.957 525 2HB ARG 65 HB2 ARG 65 -10.630 10.779 -0.772 526 1HG ARG 65 HG2 ARG 65 -8.853 11.075 -3.184 527 2HG ARG 65 HG3 ARG 65 -10.530 11.610 -3.093 528 1HD ARG 65 HD3 ARG 65 -9.983 13.150 -1.304 529 2HD ARG 65 HD2 ARG 65 -8.321 12.568 -1.278 530 HE ARG 65 HE ARG 65 -7.868 14.048 -2.932 531 1HH1 ARG 65 HH11 ARG 65 -11.416 14.095 -2.849 532 2HH1 ARG 65 HH12 ARG 65 -11.483 13.800 -4.565 533 1HH2 ARG 65 HH22 ARG 65 -8.434 14.822 -5.340 534 2HH2 ARG 65 HH21 ARG 65 -9.562 16.025 -4.791 535 H GLN 66 HN GLN 66 -9.134 10.164 1.790 536 HA GLN 66 HA GLN 66 -9.720 7.302 2.196 537 1HB GLN 66 HB2 GLN 66 -9.193 7.705 4.602 538 2HB GLN 66 HB3 GLN 66 -7.822 7.985 3.533 539 1HG GLN 66 HG3 GLN 66 -7.593 9.866 4.705 540 2HG GLN 66 HG2 GLN 66 -8.884 10.467 3.667 541 1HE2 GLN 66 HE21 GLN 66 -9.950 8.061 5.782 542 2HE2 GLN 66 HE22 GLN 66 -10.718 9.098 6.925 543 H HIS 67 HN HIS 67 -11.653 6.693 2.988 544 HA HIS 67 HA HIS 67 -13.581 8.846 3.612 545 1HB HIS 67 HB3 HIS 67 -14.020 6.347 1.991 546 2HB HIS 67 HB2 HIS 67 -15.315 7.414 2.530 547 HD1 HIS 67 HD1 HIS 67 -14.796 10.083 1.756 548 HD2 HIS 67 HD2 HIS 67 -13.249 6.969 -0.524 549 HE1 HIS 67 HE1 HIS 67 -14.309 11.073 -0.501 550 HE2 HIS 67 HE2 HIS 67 -13.607 9.115 -1.931 551 H THR 68 HN THR 68 -15.688 7.813 4.360 552 HA THR 68 HA THR 68 -16.931 6.803 5.910 553 HB THR 68 HB THR 68 -14.797 4.680 5.936 554 HG1 THR 68 HG1 THR 68 -16.910 5.302 4.209 555 1HG2 THR 68 HG21 THR 68 -16.094 3.881 7.594 556 2HG2 THR 68 HG22 THR 68 -17.111 3.368 6.244 557 3HG2 THR 68 HG23 THR 68 -17.490 4.858 7.121 558 H THR 69 HN THR 69 -17.323 7.340 7.929 559 HA THR 69 HA THR 69 -15.074 7.690 9.750 560 HB THR 69 HB THR 69 -17.877 8.828 9.848 561 HG1 THR 69 HG1 THR 69 -15.821 9.610 8.462 562 1HG2 THR 69 HG21 THR 69 -16.850 10.364 11.588 563 2HG2 THR 69 HG22 THR 69 -15.567 9.160 11.734 564 3HG2 THR 69 HG23 THR 69 -17.238 8.717 12.098 565 H ASP 70 HN ASP 70 -14.842 5.662 10.340 566 HA ASP 70 HA ASP 70 -15.868 4.457 12.471 567 1HB ASP 70 HB3 ASP 70 -18.106 4.522 11.087 568 2HB ASP 70 HB2 ASP 70 -17.405 3.158 10.223 569 H GLU 71 HN GLU 71 -15.865 3.188 9.173 570 HA GLU 71 HA GLU 71 -13.534 1.505 9.815 571 1HB GLU 71 HB2 GLU 71 -15.213 1.213 7.391 572 2HB GLU 71 HB3 GLU 71 -14.197 0.008 8.153 573 1HG GLU 71 HG2 GLU 71 -15.767 -0.265 9.945 574 2HG GLU 71 HG3 GLU 71 -16.780 1.028 9.293 575 H ASP 72 HN ASP 72 -12.068 3.089 9.412 576 HA ASP 72 HA ASP 72 -11.962 4.914 7.342 577 1HB ASP 72 HB3 ASP 72 -9.637 3.547 8.717 578 2HB ASP 72 HB2 ASP 72 -9.535 5.022 7.768 579 H THR 73 HN THR 73 -11.948 4.593 5.169 580 HA THR 73 HA THR 73 -10.574 2.193 4.170 581 HB THR 73 HB THR 73 -12.780 3.823 2.897 582 HG1 THR 73 HG1 THR 73 -13.171 2.482 4.906 583 1HG2 THR 73 HG21 THR 73 -11.315 2.465 1.360 584 2HG2 THR 73 HG22 THR 73 -13.042 2.130 1.305 585 3HG2 THR 73 HG23 THR 73 -11.962 1.037 2.167 586 H ILE 74 HN ILE 74 -9.301 2.536 2.166 587 HA ILE 74 HA ILE 74 -8.577 5.359 1.781 588 HB ILE 74 HB ILE 74 -6.882 2.868 1.844 589 1HG1 ILE 74 HG13 ILE 74 -7.209 4.189 3.925 590 2HG1 ILE 74 HG12 ILE 74 -5.530 4.094 3.415 591 1HG2 ILE 74 HG21 ILE 74 -6.179 3.832 -0.187 592 2HG2 ILE 74 HG22 ILE 74 -6.194 5.458 0.489 593 3HG2 ILE 74 HG23 ILE 74 -4.986 4.294 1.017 594 1HD1 ILE 74 HD11 ILE 74 -7.372 6.448 3.047 595 2HD1 ILE 74 HD12 ILE 74 -6.054 6.314 4.210 596 3HD1 ILE 74 HD13 ILE 74 -5.703 6.359 2.483 597 H VAL 75 HN VAL 75 -9.321 5.991 -0.135 598 HA VAL 75 HA VAL 75 -9.527 4.011 -2.294 599 HB VAL 75 HB VAL 75 -11.112 6.488 -1.686 600 1HG1 VAL 75 HG21 VAL 75 -10.263 5.816 -4.265 601 2HG1 VAL 75 HG22 VAL 75 -11.945 5.265 -4.148 602 3HG1 VAL 75 HG23 VAL 75 -11.536 6.952 -3.810 603 1HG2 VAL 75 HG11 VAL 75 -12.845 4.561 -2.481 604 2HG2 VAL 75 HG12 VAL 75 -11.568 3.613 -1.698 605 3HG2 VAL 75 HG13 VAL 75 -12.387 4.903 -0.808 606 H LEU 76 HN LEU 76 -8.074 4.186 -3.859 607 HA LEU 76 HA LEU 76 -6.645 6.722 -4.142 608 1HB LEU 76 HB2 LEU 76 -6.022 3.969 -5.212 609 2HB LEU 76 HB3 LEU 76 -5.119 5.402 -5.647 610 HG LEU 76 HG LEU 76 -4.519 5.680 -3.229 611 1HD1 LEU 76 HD11 LEU 76 -5.415 4.401 -1.660 612 2HD1 LEU 76 HD12 LEU 76 -6.459 3.684 -2.886 613 3HD1 LEU 76 HD13 LEU 76 -4.905 2.937 -2.506 614 1HD2 LEU 76 HD21 LEU 76 -3.043 4.659 -4.939 615 2HD2 LEU 76 HD22 LEU 76 -2.770 4.028 -3.312 616 3HD2 LEU 76 HD23 LEU 76 -3.678 3.068 -4.486 617 H GLN 77 HN GLN 77 -6.672 7.886 -6.003 618 HA GLN 77 HA GLN 77 -8.573 7.009 -8.057 619 1HB GLN 77 HB2 GLN 77 -7.704 9.793 -7.295 620 2HB GLN 77 HB3 GLN 77 -8.774 9.411 -8.645 621 1HG GLN 77 HG2 GLN 77 -10.242 8.250 -6.900 622 2HG GLN 77 HG3 GLN 77 -9.283 9.134 -5.709 623 1HE2 GLN 77 HE21 GLN 77 -12.007 9.177 -7.491 624 2HE2 GLN 77 HE22 GLN 77 -12.359 10.863 -7.430 625 HA PRO 78 HA PRO 78 -5.249 6.709 -10.862 626 1HB PRO 78 HB2 PRO 78 -6.975 7.352 -13.114 627 2HB PRO 78 HB3 PRO 78 -6.305 5.799 -12.642 628 1HG PRO 78 HG2 PRO 78 -8.949 6.415 -12.461 629 2HG PRO 78 HG3 PRO 78 -8.165 5.231 -11.428 630 1HD PRO 78 HD3 PRO 78 -8.915 8.054 -10.850 631 2HD PRO 78 HD2 PRO 78 -8.984 6.646 -9.795 632 H GLN 79 HN GLN 79 -3.658 8.193 -11.038 633 HA GLN 79 HA GLN 79 -4.280 10.905 -11.968 634 1HB GLN 79 HB3 GLN 79 -1.971 11.443 -11.423 635 2HB GLN 79 HB2 GLN 79 -2.706 10.610 -10.061 636 1HG GLN 79 HG3 GLN 79 -0.931 9.277 -10.078 637 2HG GLN 79 HG2 GLN 79 -1.598 8.568 -11.547 638 1HE2 GLN 79 HE21 GLN 79 -0.613 11.843 -11.832 639 2HE2 GLN 79 HE22 GLN 79 0.915 11.552 -12.600 640 H GLU 80 HN GLU 80 -4.089 8.156 -13.291 641 HA GLU 80 HA GLU 80 -2.959 9.048 -15.832 642 1HB GLU 80 HB3 GLU 80 -2.360 6.386 -14.507 643 2HB GLU 80 HB2 GLU 80 -1.915 6.811 -16.156 644 1HG GLU 80 HG2 GLU 80 -0.408 8.502 -15.358 645 2HG GLU 80 HG3 GLU 80 -0.908 8.207 -13.689 646 HA PRO 81 HA PRO 81 -6.753 7.276 -17.401 647 1HB PRO 81 HB2 PRO 81 -5.839 5.987 -19.660 648 2HB PRO 81 HB3 PRO 81 -6.185 7.712 -19.578 649 1HG PRO 81 HG3 PRO 81 -3.554 6.287 -19.314 650 2HG PRO 81 HG2 PRO 81 -3.947 7.774 -20.209 651 1HD PRO 81 HD3 PRO 81 -2.734 7.887 -17.834 652 2HD PRO 81 HD2 PRO 81 -3.994 9.071 -18.276 653 H GLY 82 HN GLY 82 -3.905 5.352 -16.916 654 1HA GLY 82 HA1 GLY 82 -5.599 3.028 -16.311 655 2HA GLY 82 HA2 GLY 82 -4.102 2.847 -17.210 656 H LEU 83 HN LEU 83 -5.196 4.408 -14.139 657 HA LEU 83 HA LEU 83 -2.892 3.197 -12.771 658 1HB LEU 83 HB3 LEU 83 -2.803 5.701 -12.958 659 2HB LEU 83 HB2 LEU 83 -4.379 5.792 -12.220 660 HG LEU 83 HG LEU 83 -2.732 6.469 -10.625 661 1HD1 LEU 83 HD11 LEU 83 -3.220 5.093 -8.777 662 2HD1 LEU 83 HD12 LEU 83 -4.639 5.061 -9.839 663 3HD1 LEU 83 HD13 LEU 83 -3.515 3.698 -9.815 664 1HD2 LEU 83 HD21 LEU 83 -0.685 5.681 -10.646 665 2HD2 LEU 83 HD22 LEU 83 -1.288 4.165 -9.992 666 3HD2 LEU 83 HD23 LEU 83 -1.146 4.381 -11.730 667 HA PRO 84 HA PRO 84 -6.415 0.952 -11.223 668 1HB PRO 84 HB2 PRO 84 -5.190 -0.182 -9.062 669 2HB PRO 84 HB3 PRO 84 -5.180 -0.848 -10.677 670 1HG PRO 84 HG3 PRO 84 -3.073 0.728 -9.264 671 2HG PRO 84 HG2 PRO 84 -2.903 -0.620 -10.431 672 1HD PRO 84 HD3 PRO 84 -2.488 1.967 -11.124 673 2HD PRO 84 HD2 PRO 84 -3.138 0.774 -12.256 674 H SER 85 HN SER 85 -7.990 1.668 -10.137 675 HA SER 85 HA SER 85 -7.624 3.325 -7.742 676 1HB SER 85 HB2 SER 85 -10.195 3.689 -8.236 677 2HB SER 85 HB3 SER 85 -8.995 4.585 -9.152 678 HG SER 85 HG SER 85 -10.533 2.341 -9.941 679 H PHE 86 HN PHE 86 -8.680 2.618 -5.782 680 HA PHE 86 HA PHE 86 -10.413 0.368 -5.890 681 1HB PHE 86 HB3 PHE 86 -8.991 -1.235 -4.724 682 2HB PHE 86 HB2 PHE 86 -8.214 -0.739 -6.221 683 HD1 PHE 86 HD1 PHE 86 -8.203 -0.325 -2.579 684 HD2 PHE 86 HD2 PHE 86 -6.065 0.290 -6.205 685 HE1 PHE 86 HE1 PHE 86 -6.208 0.288 -1.286 686 HE2 PHE 86 HE2 PHE 86 -4.054 0.892 -4.915 687 HZ PHE 86 HZ PHE 86 -4.133 0.892 -2.444 688 H ARG 87 HN ARG 87 -10.041 -0.567 -3.382 689 HA ARG 87 HA ARG 87 -10.051 1.630 -1.484 690 1HB ARG 87 HB3 ARG 87 -12.231 1.115 -0.526 691 2HB ARG 87 HB2 ARG 87 -12.417 1.502 -2.233 692 1HG ARG 87 HG2 ARG 87 -12.078 -1.278 -2.083 693 2HG ARG 87 HG3 ARG 87 -13.232 -0.836 -0.823 694 1HD ARG 87 HD2 ARG 87 -13.408 0.044 -3.696 695 2HD ARG 87 HD3 ARG 87 -14.279 -1.330 -3.019 696 HE ARG 87 HE ARG 87 -15.076 0.660 -1.409 697 1HH1 ARG 87 HH12 ARG 87 -15.144 0.141 -4.896 698 2HH1 ARG 87 HH11 ARG 87 -15.744 1.762 -5.171 699 1HH2 ARG 87 HH21 ARG 87 -17.554 1.398 -2.357 700 2HH2 ARG 87 HH22 ARG 87 -16.796 2.841 -2.972 701 H ILE 88 HN ILE 88 -9.888 0.796 0.785 702 HA ILE 88 HA ILE 88 -9.278 -2.034 1.023 703 HB ILE 88 HB ILE 88 -7.187 -1.360 2.384 704 1HG1 ILE 88 HG12 ILE 88 -7.260 0.962 0.465 705 2HG1 ILE 88 HG13 ILE 88 -7.676 1.099 2.167 706 1HG2 ILE 88 HG21 ILE 88 -6.366 -2.546 0.698 707 2HG2 ILE 88 HG22 ILE 88 -7.576 -1.941 -0.411 708 3HG2 ILE 88 HG23 ILE 88 -6.098 -1.022 -0.146 709 1HD1 ILE 88 HD11 ILE 88 -5.039 0.689 0.877 710 2HD1 ILE 88 HD12 ILE 88 -5.495 1.733 2.231 711 3HD1 ILE 88 HD13 ILE 88 -5.308 -0.011 2.477 712 H LYS 89 HN LYS 89 -9.943 -2.858 2.986 713 HA LYS 89 HA LYS 89 -10.567 -0.889 5.075 714 1HB LYS 89 HB3 LYS 89 -12.587 -2.280 5.587 715 2HB LYS 89 HB2 LYS 89 -12.651 -1.493 4.014 716 1HG LYS 89 HG2 LYS 89 -12.678 -3.413 2.872 717 2HG LYS 89 HG3 LYS 89 -11.563 -4.223 3.997 718 1HD LYS 89 HD3 LYS 89 -13.907 -5.160 3.930 719 2HD LYS 89 HD2 LYS 89 -13.323 -4.702 5.527 720 1HE LYS 89 HE3 LYS 89 -14.656 -2.495 4.220 721 2HE LYS 89 HE2 LYS 89 -15.694 -3.916 4.313 722 1HZ LYS 89 HZ1 LYS 89 -15.561 -3.965 6.618 723 2HZ LYS 89 HZ2 LYS 89 -15.708 -2.303 6.271 724 3HZ LYS 89 HZ3 LYS 89 -14.199 -2.960 6.677 725 HA PRO 90 HA PRO 90 -8.201 -3.534 7.728 726 1HB PRO 90 HB2 PRO 90 -9.240 -2.889 10.141 727 2HB PRO 90 HB3 PRO 90 -8.232 -1.775 9.212 728 1HG PRO 90 HG2 PRO 90 -11.222 -1.907 9.419 729 2HG PRO 90 HG3 PRO 90 -10.156 -0.486 9.524 730 1HD PRO 90 HD3 PRO 90 -11.491 -1.124 7.262 731 2HD PRO 90 HD2 PRO 90 -9.879 -0.377 7.225 732 H LYS 91 HN LYS 91 -10.325 -4.913 6.482 733 HA LYS 91 HA LYS 91 -12.154 -6.237 7.994 734 1HB LYS 91 HB2 LYS 91 -11.899 -6.420 5.550 735 2HB LYS 91 HB3 LYS 91 -10.462 -7.398 5.781 736 1HG LYS 91 HG3 LYS 91 -12.982 -8.329 7.029 737 2HG LYS 91 HG2 LYS 91 -12.811 -8.466 5.284 738 1HD LYS 91 HD2 LYS 91 -10.682 -9.652 5.598 739 2HD LYS 91 HD3 LYS 91 -10.909 -9.566 7.338 740 1HE LYS 91 HE2 LYS 91 -12.955 -10.886 7.144 741 2HE LYS 91 HE3 LYS 91 -12.739 -10.954 5.393 742 1HZ LYS 91 HZ1 LYS 91 -10.904 -12.329 5.586 743 2HZ LYS 91 HZ2 LYS 91 -11.936 -12.918 6.799 744 3HZ LYS 91 HZ3 LYS 91 -10.620 -11.919 7.211 745 H ASP 92 HN ASP 92 -8.826 -7.454 7.405 746 HA ASP 92 HA ASP 92 -9.193 -9.377 9.561 747 1HB ASP 92 HB3 ASP 92 -7.009 -9.006 7.524 748 2HB ASP 92 HB2 ASP 92 -6.897 -10.163 8.841 749 H PHE 93 HN PHE 93 -9.174 -7.070 10.877 750 HA PHE 93 HA PHE 93 -6.738 -7.267 12.378 751 1HB PHE 93 HB2 PHE 93 -6.388 -5.610 10.341 752 2HB PHE 93 HB3 PHE 93 -7.216 -4.484 11.408 753 HD1 PHE 93 HD1 PHE 93 -6.238 -4.388 13.878 754 HD2 PHE 93 HD2 PHE 93 -4.106 -5.746 10.452 755 HE1 PHE 93 HE1 PHE 93 -4.115 -3.933 15.023 756 HE2 PHE 93 HE2 PHE 93 -1.976 -5.285 11.595 757 HZ PHE 93 HZ PHE 93 -1.981 -4.381 13.883 758 H GLU 94 HN GLU 94 -6.969 -6.659 14.409 759 HA GLU 94 HA GLU 94 -9.595 -6.173 15.421 760 1HB GLU 94 HB2 GLU 94 -8.241 -5.760 17.630 761 2HB GLU 94 HB3 GLU 94 -8.355 -7.380 16.951 762 1HG GLU 94 HG3 GLU 94 -6.066 -5.670 16.133 763 2HG GLU 94 HG2 GLU 94 -6.058 -6.367 17.758 764 H THR 95 HN THR 95 -10.335 -4.339 16.646 765 HA THR 95 HA THR 95 -9.631 -1.873 15.397 766 HB THR 95 HB THR 95 -11.456 -2.362 17.752 767 HG1 THR 95 HG1 THR 95 -11.862 -2.357 14.954 768 1HG2 THR 95 HG21 THR 95 -12.394 -0.242 17.372 769 2HG2 THR 95 HG22 THR 95 -11.539 -0.055 15.844 770 3HG2 THR 95 HG23 THR 95 -10.641 0.014 17.365 771 H SER 96 HN SER 96 -7.566 -1.268 15.908 772 HA SER 96 HA SER 96 -7.124 -0.346 18.614 773 1HB SER 96 HB2 SER 96 -5.040 -1.726 16.872 774 2HB SER 96 HB3 SER 96 -4.827 -1.155 18.534 775 HG SER 96 HG SER 96 -6.881 -2.760 18.606 776 H GLU 97 HN GLU 97 -8.218 1.166 17.001 777 HA GLU 97 HA GLU 97 -7.952 2.661 15.076 778 1HB GLU 97 HB2 GLU 97 -7.169 3.877 17.713 779 2HB GLU 97 HB3 GLU 97 -7.911 4.734 16.365 780 1HG GLU 97 HG2 GLU 97 -9.730 4.410 17.697 781 2HG GLU 97 HG3 GLU 97 -9.812 2.944 16.724 782 H TYR 98 HN TYR 98 -5.439 3.155 17.375 783 HA TYR 98 HA TYR 98 -3.686 4.806 16.177 784 1HB TYR 98 HB2 TYR 98 -3.048 2.454 17.954 785 2HB TYR 98 HB3 TYR 98 -1.940 3.783 17.620 786 HD1 TYR 98 HD1 TYR 98 -5.467 3.240 18.867 787 HD2 TYR 98 HD2 TYR 98 -1.863 5.521 19.080 788 HE1 TYR 98 HE1 TYR 98 -6.398 4.568 20.719 789 HE2 TYR 98 HE2 TYR 98 -2.793 6.833 20.930 790 HH TYR 98 HH TYR 98 -6.134 6.407 21.988 791 H VAL 99 HN VAL 99 -4.017 1.454 15.465 792 HA VAL 99 HA VAL 99 -1.585 1.356 13.863 793 HB VAL 99 HB VAL 99 -3.877 -0.614 14.065 794 1HG1 VAL 99 HG21 VAL 99 -1.380 -0.852 12.365 795 2HG1 VAL 99 HG22 VAL 99 -2.589 -2.107 12.598 796 3HG1 VAL 99 HG23 VAL 99 -3.015 -0.620 11.757 797 1HG2 VAL 99 HG11 VAL 99 -2.457 -0.620 15.991 798 2HG2 VAL 99 HG12 VAL 99 -2.114 -2.067 15.042 799 3HG2 VAL 99 HG13 VAL 99 -1.013 -0.688 14.985 800 H ARG 100 HN ARG 100 -5.062 1.379 13.237 801 HA ARG 100 HA ARG 100 -4.908 1.510 10.458 802 1HB ARG 100 HB2 ARG 100 -7.011 2.149 12.453 803 2HB ARG 100 HB3 ARG 100 -7.229 2.702 10.805 804 1HG ARG 100 HG2 ARG 100 -6.849 -0.142 11.706 805 2HG ARG 100 HG3 ARG 100 -8.340 0.594 11.107 806 1HD ARG 100 HD2 ARG 100 -7.571 -0.527 9.242 807 2HD ARG 100 HD3 ARG 100 -6.948 1.107 8.982 808 HE ARG 100 HE ARG 100 -4.848 0.249 9.055 809 1HH1 ARG 100 HH11 ARG 100 -6.395 -2.137 11.454 810 2HH1 ARG 100 HH12 ARG 100 -6.264 -3.194 10.083 811 1HH2 ARG 100 HH22 ARG 100 -3.142 -1.310 10.097 812 2HH2 ARG 100 HH21 ARG 100 -3.708 -2.860 9.570 813 H LYS 101 HN LYS 101 -5.721 4.259 12.635 814 HA LYS 101 HA LYS 101 -5.602 6.113 10.534 815 1HB LYS 101 HB3 LYS 101 -5.442 6.571 13.506 816 2HB LYS 101 HB2 LYS 101 -5.473 7.872 12.330 817 1HG LYS 101 HG3 LYS 101 -7.675 7.666 13.035 818 2HG LYS 101 HG2 LYS 101 -7.614 6.858 11.469 819 1HD LYS 101 HD3 LYS 101 -7.218 4.716 12.846 820 2HD LYS 101 HD2 LYS 101 -7.829 5.661 14.205 821 1HE LYS 101 HE2 LYS 101 -9.234 4.758 11.734 822 2HE LYS 101 HE3 LYS 101 -9.731 4.616 13.412 823 1HZ LYS 101 HZ1 LYS 101 -9.676 7.285 13.109 824 2HZ LYS 101 HZ2 LYS 101 -11.063 6.329 12.890 825 3HZ LYS 101 HZ3 LYS 101 -10.137 6.794 11.542 826 H ALA 102 HN ALA 102 -3.125 5.504 13.038 827 HA ALA 102 HA ALA 102 -1.324 7.449 12.148 828 1HB ALA 102 HB1 ALA 102 0.388 6.200 13.352 829 2HB ALA 102 HB2 ALA 102 -1.091 6.333 14.295 830 3HB ALA 102 HB3 ALA 102 -0.709 4.815 13.479 831 H TRP 103 HN TRP 103 -2.071 4.372 10.820 832 HA TRP 103 HA TRP 103 0.274 4.599 9.085 833 1HB TRP 103 HB2 TRP 103 0.584 2.449 9.353 834 2HB TRP 103 HB3 TRP 103 -0.774 2.400 10.453 835 HD1 TRP 103 HD1 TRP 103 -2.806 1.000 9.778 836 HE1 TRP 103 HE1 TRP 103 -3.322 -0.560 7.789 837 HE3 TRP 103 HE3 TRP 103 0.957 2.404 6.612 838 HZ2 TRP 103 HZ2 TRP 103 -2.288 -1.091 5.244 839 HZ3 TRP 103 HZ3 TRP 103 1.101 1.308 4.408 840 HH2 TRP 103 HH2 TRP 103 -0.481 -0.384 3.734 841 H LEU 104 HN LEU 104 -3.065 5.000 9.143 842 HA LEU 104 HA LEU 104 -3.522 4.625 6.349 843 1HB LEU 104 HB3 LEU 104 -5.459 4.426 7.640 844 2HB LEU 104 HB2 LEU 104 -5.069 5.826 8.621 845 HG LEU 104 HG LEU 104 -5.621 6.320 5.753 846 1HD1 LEU 104 HD21 LEU 104 -8.114 6.463 6.761 847 2HD1 LEU 104 HD22 LEU 104 -7.506 5.096 5.840 848 3HD1 LEU 104 HD23 LEU 104 -7.505 5.031 7.598 849 1HD2 LEU 104 HD11 LEU 104 -5.742 8.391 6.543 850 2HD2 LEU 104 HD12 LEU 104 -7.046 7.925 7.632 851 3HD2 LEU 104 HD13 LEU 104 -5.369 7.767 8.156 852 H ARG 105 HN ARG 105 -3.265 7.513 8.485 853 HA ARG 105 HA ARG 105 -3.215 9.404 6.529 854 1HB ARG 105 HB3 ARG 105 -3.370 9.661 9.044 855 2HB ARG 105 HB2 ARG 105 -1.611 9.537 9.082 856 1HG ARG 105 HG2 ARG 105 -1.459 11.535 7.665 857 2HG ARG 105 HG3 ARG 105 -3.213 11.652 7.630 858 1HD ARG 105 HD2 ARG 105 -3.222 11.939 10.073 859 2HD ARG 105 HD3 ARG 105 -1.455 11.843 10.079 860 HE ARG 105 HE ARG 105 -1.359 13.990 9.331 861 1HH1 ARG 105 HH11 ARG 105 -4.788 13.019 8.516 862 2HH1 ARG 105 HH12 ARG 105 -5.229 14.565 9.181 863 1HH2 ARG 105 HH21 ARG 105 -2.230 16.054 8.854 864 2HH2 ARG 105 HH22 ARG 105 -3.557 16.015 7.729 865 H ASP 106 HN ASP 106 -0.743 7.123 7.210 866 HA ASP 106 HA ASP 106 1.488 8.623 6.236 867 1HB ASP 106 HB2 ASP 106 1.059 5.900 7.119 868 2HB ASP 106 HB3 ASP 106 2.005 5.941 5.635 869 H ILE 107 HN ILE 107 -1.091 6.829 4.833 870 HA ILE 107 HA ILE 107 -0.083 6.581 2.178 871 HB ILE 107 HB ILE 107 -2.877 6.582 3.355 872 1HG1 ILE 107 HG12 ILE 107 -2.939 4.274 2.367 873 2HG1 ILE 107 HG13 ILE 107 -1.224 4.453 1.986 874 1HG2 ILE 107 HG21 ILE 107 -2.831 5.729 0.608 875 2HG2 ILE 107 HG22 ILE 107 -3.872 6.900 1.420 876 3HG2 ILE 107 HG23 ILE 107 -2.307 7.409 0.781 877 1HD1 ILE 107 HD11 ILE 107 -2.309 4.675 4.776 878 2HD1 ILE 107 HD12 ILE 107 -1.768 3.151 4.060 879 3HD1 ILE 107 HD13 ILE 107 -0.621 4.482 4.266 880 H ALA 108 HN ALA 108 -2.069 8.964 3.898 881 HA ALA 108 HA ALA 108 -2.487 10.681 1.675 882 1HB ALA 108 HB1 ALA 108 -2.613 12.158 4.116 883 2HB ALA 108 HB2 ALA 108 -3.928 11.637 3.066 884 3HB ALA 108 HB3 ALA 108 -3.357 10.588 4.362 885 H GLU 109 HN GLU 109 -0.470 11.146 4.576 886 HA GLU 109 HA GLU 109 1.121 13.180 3.268 887 1HB GLU 109 HB2 GLU 109 1.556 11.803 5.937 888 2HB GLU 109 HB3 GLU 109 2.389 13.245 5.370 889 1HG GLU 109 HG3 GLU 109 0.065 14.321 5.279 890 2HG GLU 109 HG2 GLU 109 -0.452 12.954 6.260 891 H GLU 110 HN GLU 110 1.447 11.353 1.564 892 HA GLU 110 HA GLU 110 3.216 9.270 2.151 893 1HB GLU 110 HB3 GLU 110 3.363 9.450 -0.487 894 2HB GLU 110 HB2 GLU 110 2.047 8.671 0.350 895 1HG GLU 110 HG3 GLU 110 1.088 9.975 -1.350 896 2HG GLU 110 HG2 GLU 110 0.800 10.862 0.130 897 H GLN 111 HN GLN 111 5.226 9.334 2.526 898 HA GLN 111 HA GLN 111 7.271 10.385 2.926 899 1HB GLN 111 HB2 GLN 111 7.034 9.231 0.229 900 2HB GLN 111 HB3 GLN 111 8.553 9.987 0.682 901 1HG GLN 111 HG2 GLN 111 7.241 7.891 2.376 902 2HG GLN 111 HG3 GLN 111 8.330 7.486 1.051 903 1HE2 GLN 111 HE21 GLN 111 8.144 8.016 4.260 904 2HE2 GLN 111 HE22 GLN 111 9.851 8.066 4.538 905 H GLU 112 HN GLU 112 6.114 12.664 2.984 906 HA GLU 112 HA GLU 112 6.990 14.408 0.820 907 1HB GLU 112 HB2 GLU 112 5.903 15.150 3.538 908 2HB GLU 112 HB3 GLU 112 6.017 16.198 2.134 909 1HG GLU 112 HG3 GLU 112 4.167 15.299 1.149 910 2HG GLU 112 HG2 GLU 112 4.372 13.731 1.936 911 H LYS 113 HN LYS 113 7.863 13.303 3.964 912 HA LYS 113 HA LYS 113 9.906 15.216 4.510 913 1HB LYS 113 HB3 LYS 113 9.267 12.533 5.743 914 2HB LYS 113 HB2 LYS 113 10.545 13.589 6.324 915 1HG LYS 113 HG2 LYS 113 8.721 14.006 7.739 916 2HG LYS 113 HG3 LYS 113 8.760 15.370 6.629 917 1HD LYS 113 HD2 LYS 113 7.016 14.241 5.266 918 2HD LYS 113 HD3 LYS 113 6.906 12.992 6.500 919 1HE LYS 113 HE2 LYS 113 6.313 14.728 8.153 920 2HE LYS 113 HE3 LYS 113 6.354 15.932 6.873 921 1HZ LYS 113 HZ1 LYS 113 4.541 14.801 5.755 922 2HZ LYS 113 HZ2 LYS 113 4.086 15.162 7.340 923 3HZ LYS 113 HZ3 LYS 113 4.523 13.581 6.934 924 H TYR 114 HN TYR 114 9.729 12.856 2.273 925 HA TYR 114 HA TYR 114 12.218 11.550 2.391 926 1HB TYR 114 HB2 TYR 114 10.528 10.660 0.946 927 2HB TYR 114 HB3 TYR 114 10.352 12.193 0.100 928 HD1 TYR 114 HD1 TYR 114 13.179 9.880 0.897 929 HD2 TYR 114 HD2 TYR 114 11.131 12.156 -2.054 930 HE1 TYR 114 HE1 TYR 114 14.804 9.144 -0.791 931 HE2 TYR 114 HE2 TYR 114 12.751 11.427 -3.752 932 HH TYR 114 HH TYR 114 15.571 10.425 -3.265 933 H ALA 115 HN ALA 115 11.222 14.224 0.247 934 HA ALA 115 HA ALA 115 13.674 15.666 0.707 935 1HB ALA 115 HB1 ALA 115 14.820 14.574 -0.910 936 2HB ALA 115 HB2 ALA 115 13.358 13.927 -1.647 937 3HB ALA 115 HB3 ALA 115 13.867 15.577 -2.007 938 H ALA 116 HN ALA 116 13.595 17.803 -0.196 939 HA ALA 116 HA ALA 116 10.861 18.605 -0.941 940 1HB ALA 116 HB1 ALA 116 12.872 19.786 0.739 941 2HB ALA 116 HB2 ALA 116 12.423 20.905 -0.552 942 3HB ALA 116 HB3 ALA 116 11.186 20.250 0.523 943 H GLU 117 HN GLU 117 13.472 17.622 -2.454 944 HA GLU 117 HA GLU 117 14.353 17.823 -4.522 945 1HB GLU 117 HB3 GLU 117 11.721 19.208 -4.922 946 2HB GLU 117 HB2 GLU 117 12.883 19.056 -6.234 947 1HG GLU 117 HG3 GLU 117 11.731 16.770 -4.655 948 2HG GLU 117 HG2 GLU 117 11.190 17.278 -6.260 949 H ARG 118 HN ARG 118 15.843 19.136 -3.154 950 HA ARG 118 HA ARG 118 17.151 20.918 -2.732 951 1HB ARG 118 HB2 ARG 118 18.148 21.899 -4.742 952 2HB ARG 118 HB3 ARG 118 18.028 20.153 -4.852 953 1HG ARG 118 HG3 ARG 118 16.143 20.351 -6.345 954 2HG ARG 118 HG2 ARG 118 16.165 22.111 -6.182 955 1HD ARG 118 HD3 ARG 118 18.480 20.493 -7.211 956 2HD ARG 118 HD2 ARG 118 17.262 21.220 -8.250 957 HE ARG 118 HE ARG 118 18.081 23.350 -6.865 958 1HH1 ARG 118 HH12 ARG 118 20.452 20.895 -7.420 959 2HH1 ARG 118 HH11 ARG 118 21.112 21.642 -8.849 960 1HH2 ARG 118 HH21 ARG 118 20.202 24.542 -7.081 961 2HH2 ARG 118 HH22 ARG 118 20.888 24.175 -8.641 962 H ASP 119 HN ASP 119 17.149 23.314 -4.593 963 HA ASP 119 HA ASP 119 14.699 24.680 -4.181 964 1HB ASP 119 HB2 ASP 119 15.337 26.228 -2.479 965 2HB ASP 119 HB3 ASP 119 15.702 24.618 -1.851
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