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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 | stage | position | program | type |
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11976 |
1sb0 ![]() ![]() |
6095 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 H1 GLY 1 4.083 -3.808 -8.143 2 2H GLY 1 H2 GLY 1 5.382 -2.863 -7.776 3 3H GLY 1 H3 GLY 1 4.477 -2.519 -9.112 4 1HA GLY 1 HA2 GLY 1 5.106 -4.642 -10.094 5 2HA GLY 1 HA3 GLY 1 6.476 -3.558 -9.819 6 H VAL 2 H VAL 2 8.202 -4.756 -9.087 7 HA VAL 2 HA VAL 2 7.744 -7.305 -7.724 8 HB VAL 2 HB VAL 2 10.299 -5.885 -8.525 9 1HG1 VAL 2 1HG1 VAL 2 11.348 -8.123 -8.217 10 2HG1 VAL 2 2HG1 VAL 2 10.769 -7.459 -6.687 11 3HG1 VAL 2 3HG1 VAL 2 9.836 -8.725 -7.512 12 1HG2 VAL 2 1HG2 VAL 2 10.336 -7.558 -10.342 13 2HG2 VAL 2 2HG2 VAL 2 8.780 -8.209 -9.790 14 3HG2 VAL 2 3HG2 VAL 2 8.876 -6.567 -10.452 15 H ARG 3 H ARG 3 9.950 -4.658 -6.832 16 HA ARG 3 HA ARG 3 9.875 -5.596 -4.074 17 1HB ARG 3 HB2 ARG 3 11.670 -4.038 -3.678 18 2HB ARG 3 HB3 ARG 3 11.987 -5.053 -5.088 19 1HG ARG 3 HG2 ARG 3 11.393 -3.177 -6.600 20 2HG ARG 3 HG3 ARG 3 10.968 -2.176 -5.202 21 1HD ARG 3 HD2 ARG 3 13.163 -1.517 -5.837 22 2HD ARG 3 HD3 ARG 3 13.311 -2.477 -4.354 23 HE ARG 3 HE ARG 3 13.602 -4.172 -6.638 24 1HH1 ARG 3 1HH1 ARG 3 15.315 -1.700 -4.754 25 2HH1 ARG 3 2HH1 ARG 3 16.893 -2.174 -5.310 26 1HH2 ARG 3 1HH2 ARG 3 15.687 -4.835 -7.323 27 2HH2 ARG 3 2HH2 ARG 3 17.111 -4.003 -6.764 28 H LYS 4 H LYS 4 8.215 -3.066 -5.776 29 HA LYS 4 HA LYS 4 7.005 -2.050 -3.292 30 1HB LYS 4 HB2 LYS 4 8.469 -0.345 -5.335 31 2HB LYS 4 HB3 LYS 4 7.289 0.291 -4.194 32 1HG LYS 4 HG2 LYS 4 9.887 -1.067 -3.352 33 2HG LYS 4 HG3 LYS 4 9.645 0.675 -3.529 34 1HD LYS 4 HD2 LYS 4 7.734 0.507 -1.858 35 2HD LYS 4 HD3 LYS 4 8.232 -1.176 -1.559 36 1HE LYS 4 HE2 LYS 4 10.468 -0.417 -0.907 37 2HE LYS 4 HE3 LYS 4 10.022 1.263 -1.252 38 1HZ LYS 4 HZ1 LYS 4 8.392 1.142 0.465 39 2HZ LYS 4 HZ2 LYS 4 8.785 -0.431 0.795 40 3HZ LYS 4 HZ3 LYS 4 9.896 0.770 1.036 41 H GLY 5 H GLY 5 4.903 -1.159 -3.773 42 1HA GLY 5 HA2 GLY 5 3.453 -2.231 -5.903 43 2HA GLY 5 HA3 GLY 5 2.996 -0.776 -5.002 44 H TRP 6 H TRP 6 5.155 0.863 -5.719 45 HA TRP 6 HA TRP 6 4.340 1.756 -8.376 46 1HB TRP 6 HB2 TRP 6 5.667 3.709 -7.875 47 2HB TRP 6 HB3 TRP 6 4.552 3.341 -6.568 48 HD1 TRP 6 HD1 TRP 6 5.609 2.498 -4.248 49 HE1 TRP 6 HE1 TRP 6 7.912 2.880 -3.176 50 HE3 TRP 6 HE3 TRP 6 8.255 3.875 -8.424 51 HZ2 TRP 6 HZ2 TRP 6 10.551 3.551 -4.025 52 HZ3 TRP 6 HZ3 TRP 6 10.659 4.470 -8.209 53 HH2 TRP 6 HH2 TRP 6 11.808 4.312 -6.037 54 H HIS 7 H HIS 7 6.701 -0.473 -7.400 55 HA HIS 7 HA HIS 7 9.110 0.302 -8.318 56 1HB HIS 7 HB2 HIS 7 9.040 -1.751 -7.267 57 2HB HIS 7 HB3 HIS 7 7.731 -2.356 -8.306 58 HD2 HIS 7 HD2 HIS 7 11.523 -1.671 -8.583 59 HE1 HIS 7 HE1 HIS 7 10.463 -4.683 -11.408 60 HE2 HIS 7 HE2 HIS 7 12.396 -3.370 -10.421 61 H GLU 8 H GLU 8 6.619 -1.109 -10.514 62 HA GLU 8 HA GLU 8 8.274 -1.340 -12.734 63 1HB GLU 8 HB2 GLU 8 6.334 -1.623 -14.025 64 2HB GLU 8 HB3 GLU 8 6.081 -2.436 -12.491 65 1HG GLU 8 HG2 GLU 8 4.915 0.299 -13.256 66 2HG GLU 8 HG3 GLU 8 4.086 -1.243 -13.432 67 H HIS 9 H HIS 9 7.039 1.640 -11.386 68 HA HIS 9 HA HIS 9 7.048 3.177 -13.829 69 1HB HIS 9 HB2 HIS 9 7.282 3.943 -10.888 70 2HB HIS 9 HB3 HIS 9 7.259 5.091 -12.219 71 HD2 HIS 9 HD2 HIS 9 4.869 2.116 -11.324 72 HE1 HIS 9 HE1 HIS 9 2.512 5.574 -12.047 73 HE2 HIS 9 HE2 HIS 9 2.454 3.086 -11.462 74 H VAL 10 H VAL 10 9.598 2.039 -11.654 75 HA VAL 10 HA VAL 10 11.544 3.857 -13.035 76 HB VAL 10 HB VAL 10 11.402 3.349 -10.061 77 1HG1 VAL 10 1HG1 VAL 10 13.710 3.752 -11.035 78 2HG1 VAL 10 2HG1 VAL 10 13.117 5.298 -11.652 79 3HG1 VAL 10 3HG1 VAL 10 13.176 5.002 -9.908 80 1HG2 VAL 10 1HG2 VAL 10 10.583 5.759 -11.745 81 2HG2 VAL 10 2HG2 VAL 10 9.581 4.840 -10.605 82 3HG2 VAL 10 3HG2 VAL 10 10.897 5.858 -10.009 83 H THR 11 H THR 11 12.550 2.436 -14.307 84 HA THR 11 HA THR 11 13.633 -0.088 -13.302 85 HB THR 11 HB THR 11 14.517 -0.104 -15.707 86 HG1 THR 11 HG1 THR 11 13.560 1.508 -17.044 87 1HG2 THR 11 1HG2 THR 11 12.339 -0.545 -16.718 88 2HG2 THR 11 2HG2 THR 11 12.393 -1.210 -15.075 89 3HG2 THR 11 3HG2 THR 11 11.508 0.300 -15.393 90 H GLN 12 H GLN 12 15.871 -0.547 -13.729 91 HA GLN 12 HA GLN 12 17.714 0.833 -12.263 92 1HB GLN 12 HB2 GLN 12 17.989 -1.055 -14.619 93 2HB GLN 12 HB3 GLN 12 19.398 -0.402 -13.783 94 1HG GLN 12 HG2 GLN 12 18.857 -2.583 -12.888 95 2HG GLN 12 HG3 GLN 12 18.692 -1.317 -11.663 96 1HE2 GLN 12 2HE2 GLN 12 17.232 -2.437 -10.298 97 2HE2 GLN 12 1HE2 GLN 12 15.602 -2.817 -10.817 98 H ASP 13 H ASP 13 17.147 1.246 -15.786 99 HA ASP 13 HA ASP 13 19.300 3.027 -16.259 100 1HB ASP 13 HB2 ASP 13 16.564 2.971 -17.634 101 2HB ASP 13 HB3 ASP 13 18.077 3.604 -18.290 102 H LEU 14 H LEU 14 15.908 3.701 -15.216 103 HA LEU 14 HA LEU 14 16.310 6.574 -15.304 104 1HB LEU 14 HB2 LEU 14 14.088 5.702 -15.545 105 2HB LEU 14 HB3 LEU 14 14.177 4.859 -13.994 106 HG LEU 14 HG LEU 14 14.167 6.938 -12.776 107 1HD1 LEU 14 1HD1 LEU 14 14.210 8.390 -15.445 108 2HD1 LEU 14 2HD1 LEU 14 13.907 9.138 -13.863 109 3HD1 LEU 14 3HD1 LEU 14 15.485 8.436 -14.204 110 1HD2 LEU 14 1HD2 LEU 14 12.098 7.139 -15.009 111 2HD2 LEU 14 2HD2 LEU 14 11.989 6.002 -13.660 112 3HD2 LEU 14 3HD2 LEU 14 11.944 7.744 -13.346 113 H ARG 15 H ARG 15 16.494 4.011 -12.792 114 HA ARG 15 HA ARG 15 17.176 5.667 -10.588 115 1HB ARG 15 HB2 ARG 15 18.301 2.912 -11.221 116 2HB ARG 15 HB3 ARG 15 18.380 3.730 -9.667 117 1HG ARG 15 HG2 ARG 15 15.899 3.755 -9.527 118 2HG ARG 15 HG3 ARG 15 15.824 3.006 -11.116 119 1HD ARG 15 HD2 ARG 15 17.359 1.144 -9.932 120 2HD ARG 15 HD3 ARG 15 16.541 1.789 -8.495 121 HE ARG 15 HE ARG 15 14.721 1.292 -10.712 122 1HH1 ARG 15 2HH2 ARG 15 16.312 -0.304 -7.990 123 2HH1 ARG 15 1HH2 ARG 15 15.128 -1.576 -7.880 124 1HH2 ARG 15 1HH1 ARG 15 13.210 -0.259 -10.583 125 2HH2 ARG 15 2HH1 ARG 15 13.347 -1.592 -9.450 126 H SER 16 H SER 16 19.273 4.302 -13.140 127 HA SER 16 HA SER 16 21.747 5.332 -12.228 128 1HB SER 16 HB2 SER 16 20.852 4.718 -15.067 129 2HB SER 16 HB3 SER 16 22.508 4.921 -14.543 130 HG SER 16 HG SER 16 20.683 2.947 -13.617 131 H HIS 17 H HIS 17 19.376 6.718 -14.585 132 HA HIS 17 HA HIS 17 20.893 9.078 -15.047 133 1HB HIS 17 HB2 HIS 17 18.853 8.098 -16.325 134 2HB HIS 17 HB3 HIS 17 17.872 9.049 -15.205 135 HD2 HIS 17 HD2 HIS 17 18.818 11.851 -15.173 136 HE1 HIS 17 HE1 HIS 17 19.983 11.687 -19.260 137 HE2 HIS 17 HE2 HIS 17 19.472 13.233 -17.303 138 H LEU 18 H LEU 18 18.400 8.326 -12.593 139 HA LEU 18 HA LEU 18 18.335 10.931 -11.405 140 1HB LEU 18 HB2 LEU 18 17.630 8.152 -10.440 141 2HB LEU 18 HB3 LEU 18 17.458 9.565 -9.384 142 HG LEU 18 HG LEU 18 16.145 9.337 -12.128 143 1HD1 LEU 18 1HD1 LEU 18 14.993 8.721 -9.382 144 2HD1 LEU 18 2HD1 LEU 18 14.085 8.730 -10.911 145 3HD1 LEU 18 3HD1 LEU 18 15.353 7.518 -10.642 146 1HD2 LEU 18 1HD2 LEU 18 14.633 11.067 -11.238 147 2HD2 LEU 18 2HD2 LEU 18 15.557 11.113 -9.720 148 3HD2 LEU 18 3HD2 LEU 18 16.291 11.668 -11.243 149 H VAL 19 H VAL 19 20.325 8.029 -10.619 150 HA VAL 19 HA VAL 19 21.874 9.193 -8.560 151 HB VAL 19 HB VAL 19 22.473 7.072 -10.629 152 1HG1 VAL 19 1HG1 VAL 19 24.474 6.462 -9.398 153 2HG1 VAL 19 2HG1 VAL 19 24.669 8.090 -10.048 154 3HG1 VAL 19 3HG1 VAL 19 24.287 7.855 -8.324 155 1HG2 VAL 19 1HG2 VAL 19 22.097 6.967 -7.600 156 2HG2 VAL 19 2HG2 VAL 19 20.856 6.559 -8.792 157 3HG2 VAL 19 3HG2 VAL 19 22.318 5.580 -8.693 158 H HIS 20 H HIS 20 22.376 9.347 -12.159 159 HA HIS 20 HA HIS 20 24.624 11.061 -11.997 160 1HB HIS 20 HB2 HIS 20 23.847 10.068 -14.162 161 2HB HIS 20 HB3 HIS 20 22.479 11.168 -14.132 162 HD2 HIS 20 HD2 HIS 20 23.284 12.218 -16.370 163 HE1 HIS 20 HE1 HIS 20 26.851 14.060 -14.935 164 HE2 HIS 20 HE2 HIS 20 25.262 13.895 -16.926 165 H LYS 21 H LYS 21 21.108 11.971 -12.142 166 HA LYS 21 HA LYS 21 21.444 14.758 -11.905 167 1HB LYS 21 HB2 LYS 21 19.233 13.093 -10.694 168 2HB LYS 21 HB3 LYS 21 19.282 14.848 -10.738 169 1HG LYS 21 HG2 LYS 21 19.099 13.007 -13.135 170 2HG LYS 21 HG3 LYS 21 17.860 14.042 -12.435 171 1HD LYS 21 HD2 LYS 21 19.295 16.063 -12.938 172 2HD LYS 21 HD3 LYS 21 20.404 14.997 -13.823 173 1HE LYS 21 HE2 LYS 21 18.901 16.140 -15.355 174 2HE LYS 21 HE3 LYS 21 18.621 14.392 -15.402 175 1HZ LYS 21 HZ1 LYS 21 16.984 16.290 -13.860 176 2HZ LYS 21 HZ2 LYS 21 16.608 15.722 -15.363 177 3HZ LYS 21 HZ3 LYS 21 16.695 14.685 -14.084 178 H LEU 22 H LEU 22 21.377 12.343 -9.226 179 HA LEU 22 HA LEU 22 21.803 14.223 -7.133 180 1HB LEU 22 HB2 LEU 22 22.969 11.427 -7.320 181 2HB LEU 22 HB3 LEU 22 22.861 12.417 -5.877 182 HG LEU 22 HG LEU 22 20.512 11.252 -7.415 183 1HD1 LEU 22 1HD1 LEU 22 20.242 9.917 -5.336 184 2HD1 LEU 22 2HD1 LEU 22 21.774 9.585 -6.158 185 3HD1 LEU 22 3HD1 LEU 22 21.755 10.623 -4.718 186 1HD2 LEU 22 1HD2 LEU 22 20.616 12.965 -4.887 187 2HD2 LEU 22 2HD2 LEU 22 19.879 13.394 -6.450 188 3HD2 LEU 22 3HD2 LEU 22 19.173 12.113 -5.472 189 H VAL 23 H VAL 23 24.283 12.438 -9.078 190 HA VAL 23 HA VAL 23 26.473 13.697 -7.833 191 HB VAL 23 HB VAL 23 26.334 12.699 -10.694 192 1HG1 VAL 23 1HG1 VAL 23 28.259 14.229 -10.453 193 2HG1 VAL 23 2HG1 VAL 23 28.719 13.462 -8.927 194 3HG1 VAL 23 3HG1 VAL 23 28.844 12.568 -10.450 195 1HG2 VAL 23 1HG2 VAL 23 27.437 10.700 -9.781 196 2HG2 VAL 23 2HG2 VAL 23 27.397 11.390 -8.145 197 3HG2 VAL 23 3HG2 VAL 23 25.892 10.942 -8.966 198 H GLN 24 H GLN 24 24.819 14.793 -10.895 199 HA GLN 24 HA GLN 24 26.499 17.120 -11.031 200 1HB GLN 24 HB2 GLN 24 25.003 18.007 -12.713 201 2HB GLN 24 HB3 GLN 24 25.577 16.368 -13.039 202 1HG GLN 24 HG2 GLN 24 23.448 15.423 -12.439 203 2HG GLN 24 HG3 GLN 24 22.819 16.998 -11.899 204 1HE2 GLN 24 2HE2 GLN 24 23.787 14.982 -14.660 205 2HE2 GLN 24 1HE2 GLN 24 22.980 15.968 -15.875 206 H ALA 25 H ALA 25 23.374 16.621 -9.409 207 HA ALA 25 HA ALA 25 22.844 19.394 -8.917 208 1HB ALA 25 HB1 ALA 25 21.903 16.936 -7.381 209 2HB ALA 25 HB2 ALA 25 21.205 18.568 -7.315 210 3HB ALA 25 HB3 ALA 25 21.110 17.632 -8.814 211 H ILE 26 H ILE 26 24.497 16.838 -7.005 212 HA ILE 26 HA ILE 26 25.136 18.555 -4.772 213 HB ILE 26 HB ILE 26 26.312 15.935 -5.764 214 1HG1 ILE 26 2HG1 ILE 26 24.392 16.438 -3.456 215 2HG1 ILE 26 3HG1 ILE 26 23.820 16.014 -5.061 216 1HG2 ILE 26 1HG2 ILE 26 26.686 17.428 -3.130 217 2HG2 ILE 26 2HG2 ILE 26 27.210 15.758 -3.413 218 3HG2 ILE 26 3HG2 ILE 26 27.943 17.063 -4.330 219 1HD1 ILE 26 1HD1 ILE 26 23.894 13.993 -3.814 220 2HD1 ILE 26 2HD1 ILE 26 25.193 13.928 -5.022 221 3HD1 ILE 26 3HD1 ILE 26 25.571 14.255 -3.314 222 H PHE 27 H PHE 27 26.914 17.299 -7.555 223 HA PHE 27 HA PHE 27 29.084 19.323 -7.339 224 1HB PHE 27 HB2 PHE 27 29.454 17.063 -6.296 225 2HB PHE 27 HB3 PHE 27 29.347 16.354 -7.895 226 HD1 PHE 27 HD1 PHE 27 31.061 17.353 -9.701 227 HD2 PHE 27 HD2 PHE 27 31.535 17.515 -5.415 228 HE1 PHE 27 HE1 PHE 27 33.476 17.405 -9.976 229 HE2 PHE 27 HE2 PHE 27 33.966 17.623 -5.703 230 HZ PHE 27 HZ PHE 27 34.974 17.673 -7.979 231 HA PRO 28 HA PRO 28 27.336 19.200 -11.679 232 1HB PRO 28 HB2 PRO 28 27.940 21.741 -12.435 233 2HB PRO 28 HB3 PRO 28 26.538 21.313 -11.425 234 1HG PRO 28 HG2 PRO 28 29.234 22.327 -10.487 235 2HG PRO 28 HG3 PRO 28 27.626 22.915 -9.996 236 1HD PRO 28 HD2 PRO 28 29.036 21.140 -8.512 237 2HD PRO 28 HD3 PRO 28 27.258 20.990 -8.629 238 H THR 29 H THR 29 28.978 17.631 -11.897 239 HA THR 29 HA THR 29 31.660 17.962 -12.012 240 HB THR 29 HB THR 29 30.061 15.940 -13.549 241 HG1 THR 29 HG1 THR 29 29.686 16.239 -11.141 242 1HG2 THR 29 1HG2 THR 29 32.894 15.811 -12.436 243 2HG2 THR 29 2HG2 THR 29 32.000 14.454 -13.149 244 3HG2 THR 29 3HG2 THR 29 32.439 15.836 -14.158 245 HA PRO 30 HA PRO 30 32.383 20.412 -15.730 246 1HB PRO 30 HB2 PRO 30 35.029 18.957 -15.547 247 2HB PRO 30 HB3 PRO 30 34.727 20.676 -15.924 248 1HG PRO 30 HG2 PRO 30 35.455 19.948 -13.412 249 2HG PRO 30 HG3 PRO 30 34.135 21.131 -13.647 250 1HD PRO 30 HD2 PRO 30 33.880 18.179 -12.994 251 2HD PRO 30 HD3 PRO 30 32.972 19.595 -12.376 252 H ASP 31 H ASP 31 33.587 16.985 -15.820 253 HA ASP 31 HA ASP 31 32.523 16.721 -18.577 254 1HB ASP 31 HB2 ASP 31 34.974 17.427 -18.571 255 2HB ASP 31 HB3 ASP 31 35.340 15.899 -17.778 256 HA PRO 32 HA PRO 32 31.143 12.758 -16.829 257 1HB PRO 32 HB2 PRO 32 31.758 11.976 -19.697 258 2HB PRO 32 HB3 PRO 32 30.414 11.412 -18.659 259 1HG PRO 32 HG2 PRO 32 29.960 13.405 -20.429 260 2HG PRO 32 HG3 PRO 32 29.368 13.586 -18.750 261 1HD PRO 32 HD2 PRO 32 31.839 14.798 -19.997 262 2HD PRO 32 HD3 PRO 32 30.643 15.536 -18.890 263 H ALA 33 H ALA 33 34.074 12.875 -18.955 264 HA ALA 33 HA ALA 33 35.242 10.445 -18.183 265 1HB ALA 33 HB1 ALA 33 37.362 11.461 -18.917 266 2HB ALA 33 HB2 ALA 33 36.048 11.869 -20.037 267 3HB ALA 33 HB3 ALA 33 36.628 13.074 -18.864 268 H ALA 34 H ALA 34 35.093 13.508 -16.425 269 HA ALA 34 HA ALA 34 37.231 13.084 -14.597 270 1HB ALA 34 HB1 ALA 34 36.003 15.256 -15.020 271 2HB ALA 34 HB2 ALA 34 34.647 14.595 -14.079 272 3HB ALA 34 HB3 ALA 34 36.218 14.841 -13.302 273 H LEU 35 H LEU 35 33.993 11.674 -14.795 274 HA LEU 35 HA LEU 35 33.650 10.930 -12.087 275 1HB LEU 35 HB2 LEU 35 32.692 9.536 -14.599 276 2HB LEU 35 HB3 LEU 35 32.093 9.225 -12.972 277 HG LEU 35 HG LEU 35 31.876 11.956 -14.330 278 1HD1 LEU 35 1HD1 LEU 35 29.519 11.377 -14.709 279 2HD1 LEU 35 2HD1 LEU 35 30.586 10.249 -15.562 280 3HD1 LEU 35 3HD1 LEU 35 29.795 9.750 -14.051 281 1HD2 LEU 35 1HD2 LEU 35 30.548 10.811 -11.836 282 2HD2 LEU 35 2HD2 LEU 35 31.774 12.096 -11.877 283 3HD2 LEU 35 3HD2 LEU 35 30.182 12.380 -12.583 284 H LYS 36 H LYS 36 35.905 9.669 -14.469 285 HA LYS 36 HA LYS 36 36.279 7.080 -13.310 286 1HB LYS 36 HB2 LYS 36 38.138 8.911 -14.850 287 2HB LYS 36 HB3 LYS 36 38.476 7.220 -14.458 288 1HG LYS 36 HG2 LYS 36 36.418 6.512 -15.655 289 2HG LYS 36 HG3 LYS 36 36.154 8.179 -16.174 290 1HD LYS 36 HD2 LYS 36 38.631 6.507 -16.819 291 2HD LYS 36 HD3 LYS 36 37.245 6.736 -17.897 292 1HE LYS 36 HE2 LYS 36 37.652 9.194 -17.903 293 2HE LYS 36 HE3 LYS 36 39.088 8.958 -16.891 294 1HZ LYS 36 HZ1 LYS 36 39.652 9.121 -19.181 295 2HZ LYS 36 HZ2 LYS 36 40.019 7.615 -18.622 296 3HZ LYS 36 HZ3 LYS 36 38.690 7.841 -19.572 297 H ASP 37 H ASP 37 37.280 10.312 -12.213 298 HA ASP 37 HA ASP 37 39.618 9.439 -10.798 299 1HB ASP 37 HB2 ASP 37 39.150 11.796 -11.443 300 2HB ASP 37 HB3 ASP 37 37.843 11.850 -10.251 301 H ARG 38 H ARG 38 39.868 8.656 -8.726 302 HA ARG 38 HA ARG 38 37.894 7.179 -7.468 303 1HB ARG 38 HB2 ARG 38 40.276 8.507 -6.125 304 2HB ARG 38 HB3 ARG 38 39.378 7.115 -5.521 305 1HG ARG 38 HG2 ARG 38 41.135 7.179 -8.029 306 2HG ARG 38 HG3 ARG 38 41.491 6.437 -6.475 307 1HD ARG 38 HD2 ARG 38 40.841 4.646 -7.852 308 2HD ARG 38 HD3 ARG 38 39.454 4.959 -6.790 309 HE ARG 38 HE ARG 38 39.369 6.367 -9.363 310 1HH1 ARG 38 2HH1 ARG 38 38.630 3.271 -7.816 311 2HH1 ARG 38 1HH1 ARG 38 37.300 2.917 -8.888 312 1HH2 ARG 38 1HH2 ARG 38 37.692 5.894 -10.768 313 2HH2 ARG 38 2HH2 ARG 38 36.658 4.504 -10.503 314 H ARG 39 H ARG 39 38.672 10.600 -6.863 315 HA ARG 39 HA ARG 39 37.092 11.020 -4.542 316 1HB ARG 39 HB2 ARG 39 38.725 12.631 -5.544 317 2HB ARG 39 HB3 ARG 39 37.608 12.890 -6.894 318 1HG ARG 39 HG2 ARG 39 35.889 13.722 -5.239 319 2HG ARG 39 HG3 ARG 39 37.117 13.568 -3.963 320 1HD ARG 39 HD2 ARG 39 38.582 15.154 -5.223 321 2HD ARG 39 HD3 ARG 39 37.342 15.244 -6.496 322 HE ARG 39 HE ARG 39 36.354 15.917 -3.839 323 1HH1 ARG 39 1HH2 ARG 39 38.025 17.223 -6.670 324 2HH1 ARG 39 2HH2 ARG 39 37.476 18.858 -6.427 325 1HH2 ARG 39 1HH1 ARG 39 35.647 18.067 -3.487 326 2HH2 ARG 39 2HH1 ARG 39 35.883 19.276 -4.724 327 H MET 40 H MET 40 36.260 11.091 -8.056 328 HA MET 40 HA MET 40 33.500 11.835 -7.548 329 1HB MET 40 HB2 MET 40 34.906 10.780 -10.043 330 2HB MET 40 HB3 MET 40 33.240 11.352 -9.937 331 1HG MET 40 HG2 MET 40 35.772 12.980 -9.543 332 2HG MET 40 HG3 MET 40 34.595 13.101 -10.853 333 1HE MET 40 HE1 MET 40 31.812 12.991 -9.120 334 2HE MET 40 HE2 MET 40 31.527 14.737 -9.024 335 3HE MET 40 HE3 MET 40 32.132 14.027 -10.534 336 H GLU 41 H GLU 41 35.284 8.829 -8.375 337 HA GLU 41 HA GLU 41 33.156 7.089 -8.587 338 1HB GLU 41 HB2 GLU 41 35.649 6.577 -8.837 339 2HB GLU 41 HB3 GLU 41 35.710 6.434 -7.072 340 1HG GLU 41 HG2 GLU 41 35.486 4.228 -7.847 341 2HG GLU 41 HG3 GLU 41 33.875 4.641 -7.273 342 H ASN 42 H ASN 42 34.695 8.229 -5.590 343 HA ASN 42 HA ASN 42 33.031 6.754 -3.768 344 1HB ASN 42 HB2 ASN 42 34.668 9.291 -3.477 345 2HB ASN 42 HB3 ASN 42 33.590 8.739 -2.193 346 1HD2 ASN 42 2HD2 ASN 42 36.381 7.655 -4.202 347 2HD2 ASN 42 1HD2 ASN 42 36.954 6.512 -2.991 348 H LEU 43 H LEU 43 32.556 9.999 -5.264 349 HA LEU 43 HA LEU 43 30.153 10.538 -3.783 350 1HB LEU 43 HB2 LEU 43 31.485 12.321 -4.775 351 2HB LEU 43 HB3 LEU 43 31.187 11.688 -6.399 352 HG LEU 43 HG LEU 43 28.792 12.195 -6.214 353 1HD1 LEU 43 1HD1 LEU 43 28.386 11.941 -3.796 354 2HD1 LEU 43 2HD1 LEU 43 29.478 13.305 -3.454 355 3HD1 LEU 43 3HD1 LEU 43 27.949 13.566 -4.318 356 1HD2 LEU 43 1HD2 LEU 43 28.959 14.621 -6.241 357 2HD2 LEU 43 2HD2 LEU 43 30.531 14.563 -5.410 358 3HD2 LEU 43 3HD2 LEU 43 30.368 13.912 -7.053 359 H VAL 44 H VAL 44 30.823 9.051 -6.939 360 HA VAL 44 HA VAL 44 28.153 8.668 -7.848 361 HB VAL 44 HB VAL 44 30.755 7.193 -8.329 362 1HG1 VAL 44 1HG1 VAL 44 28.083 6.797 -9.731 363 2HG1 VAL 44 2HG1 VAL 44 29.644 6.184 -10.319 364 3HG1 VAL 44 3HG1 VAL 44 28.986 5.580 -8.796 365 1HG2 VAL 44 1HG2 VAL 44 29.181 9.041 -10.163 366 2HG2 VAL 44 2HG2 VAL 44 30.551 9.579 -9.180 367 3HG2 VAL 44 3HG2 VAL 44 30.799 8.366 -10.438 368 H ALA 45 H ALA 45 30.351 6.504 -5.971 369 HA ALA 45 HA ALA 45 28.514 4.423 -5.507 370 1HB ALA 45 HB1 ALA 45 30.766 5.392 -3.697 371 2HB ALA 45 HB2 ALA 45 29.967 3.810 -3.627 372 3HB ALA 45 HB3 ALA 45 30.925 4.257 -5.053 373 H TYR 46 H TYR 46 29.191 7.320 -3.475 374 HA TYR 46 HA TYR 46 27.268 6.899 -1.461 375 1HB TYR 46 HB2 TYR 46 28.906 8.686 -1.333 376 2HB TYR 46 HB3 TYR 46 28.248 9.476 -2.755 377 HD1 TYR 46 HD1 TYR 46 26.064 10.664 -2.703 378 HD2 TYR 46 HD2 TYR 46 27.776 8.894 0.840 379 HE1 TYR 46 HE1 TYR 46 24.377 11.814 -1.311 380 HE2 TYR 46 HE2 TYR 46 26.246 10.256 2.245 381 HH TYR 46 HH TYR 46 24.106 12.712 0.838 382 H ALA 47 H ALA 47 26.850 8.665 -4.579 383 HA ALA 47 HA ALA 47 24.111 9.275 -4.228 384 1HB ALA 47 HB1 ALA 47 25.489 10.386 -5.892 385 2HB ALA 47 HB2 ALA 47 25.755 8.865 -6.765 386 3HB ALA 47 HB3 ALA 47 24.134 9.582 -6.707 387 H LYS 48 H LYS 48 25.625 6.394 -5.776 388 HA LYS 48 HA LYS 48 23.212 5.092 -6.529 389 1HB LYS 48 HB2 LYS 48 25.925 3.989 -5.702 390 2HB LYS 48 HB3 LYS 48 24.588 2.976 -6.258 391 1HG LYS 48 HG2 LYS 48 24.501 4.142 -8.394 392 2HG LYS 48 HG3 LYS 48 25.777 5.264 -7.875 393 1HD LYS 48 HD2 LYS 48 27.388 3.437 -7.697 394 2HD LYS 48 HD3 LYS 48 26.133 2.240 -8.081 395 1HE LYS 48 HE2 LYS 48 25.829 3.223 -10.321 396 2HE LYS 48 HE3 LYS 48 27.006 4.494 -9.951 397 1HZ LYS 48 HZ1 LYS 48 27.580 1.618 -10.075 398 2HZ LYS 48 HZ2 LYS 48 27.977 2.740 -11.215 399 3HZ LYS 48 HZ3 LYS 48 28.674 2.801 -9.725 400 H LYS 49 H LYS 49 25.139 4.783 -3.510 401 HA LYS 49 HA LYS 49 23.502 2.991 -2.115 402 1HB LYS 49 HB2 LYS 49 25.784 3.831 -1.503 403 2HB LYS 49 HB3 LYS 49 25.052 5.321 -0.928 404 1HG LYS 49 HG2 LYS 49 23.721 4.074 0.701 405 2HG LYS 49 HG3 LYS 49 24.413 2.539 0.134 406 1HD LYS 49 HD2 LYS 49 26.682 3.318 0.746 407 2HD LYS 49 HD3 LYS 49 26.027 4.862 1.308 408 1HE LYS 49 HE2 LYS 49 25.318 2.122 2.474 409 2HE LYS 49 HE3 LYS 49 26.503 3.245 3.160 410 1HZ LYS 49 HZ1 LYS 49 24.756 4.843 3.441 411 2HZ LYS 49 HZ2 LYS 49 23.640 3.798 2.823 412 3HZ LYS 49 HZ3 LYS 49 24.406 3.444 4.237 413 H VAL 50 H VAL 50 23.470 6.533 -1.960 414 HA VAL 50 HA VAL 50 21.195 6.803 -0.308 415 HB VAL 50 HB VAL 50 22.951 8.571 -1.840 416 1HG1 VAL 50 1HG1 VAL 50 20.120 9.598 -1.540 417 2HG1 VAL 50 2HG1 VAL 50 21.587 10.521 -1.974 418 3HG1 VAL 50 3HG1 VAL 50 20.981 9.272 -3.068 419 1HG2 VAL 50 1HG2 VAL 50 22.900 8.320 0.630 420 2HG2 VAL 50 2HG2 VAL 50 22.630 9.998 0.118 421 3HG2 VAL 50 3HG2 VAL 50 21.258 9.017 0.649 422 H GLU 51 H GLU 51 21.291 6.889 -3.951 423 HA GLU 51 HA GLU 51 18.527 7.197 -4.270 424 1HB GLU 51 HB2 GLU 51 20.140 7.496 -6.039 425 2HB GLU 51 HB3 GLU 51 20.540 5.777 -6.032 426 1HG GLU 51 HG2 GLU 51 17.700 6.794 -6.520 427 2HG GLU 51 HG3 GLU 51 18.865 6.692 -7.833 428 H GLY 52 H GLY 52 20.410 4.150 -3.992 429 1HA GLY 52 HA2 GLY 52 18.277 2.315 -4.193 430 2HA GLY 52 HA3 GLY 52 19.756 2.076 -3.240 431 H ASP 53 H ASP 53 19.671 3.831 -1.244 432 HA ASP 53 HA ASP 53 17.941 2.776 0.678 433 1HB ASP 53 HB2 ASP 53 19.977 4.088 1.176 434 2HB ASP 53 HB3 ASP 53 19.160 5.560 0.631 435 H MET 54 H MET 54 17.541 5.820 -1.209 436 HA MET 54 HA MET 54 14.999 6.488 -0.118 437 1HB MET 54 HB2 MET 54 16.169 7.160 -2.848 438 2HB MET 54 HB3 MET 54 14.709 7.856 -2.163 439 1HG MET 54 HG2 MET 54 17.564 8.273 -1.316 440 2HG MET 54 HG3 MET 54 16.312 9.450 -1.662 441 1HE MET 54 HE1 MET 54 17.091 10.879 0.135 442 2HE MET 54 HE2 MET 54 17.307 10.444 1.856 443 3HE MET 54 HE3 MET 54 18.382 9.739 0.612 444 H TYR 55 H TYR 55 15.817 4.515 -3.018 445 HA TYR 55 HA TYR 55 13.179 4.100 -3.902 446 1HB TYR 55 HB2 TYR 55 15.491 3.332 -4.883 447 2HB TYR 55 HB3 TYR 55 15.199 1.848 -3.995 448 HD1 TYR 55 HD1 TYR 55 12.662 0.810 -4.417 449 HD2 TYR 55 HD2 TYR 55 14.800 3.455 -7.080 450 HE1 TYR 55 HE1 TYR 55 11.193 0.147 -6.288 451 HE2 TYR 55 HE2 TYR 55 13.428 2.668 -8.955 452 HH TYR 55 HH TYR 55 11.790 1.169 -9.664 453 H GLU 56 H GLU 56 15.083 2.093 -1.550 454 HA GLU 56 HA GLU 56 12.848 0.394 -0.994 455 1HB GLU 56 HB2 GLU 56 15.310 0.898 0.702 456 2HB GLU 56 HB3 GLU 56 14.235 -0.505 0.741 457 1HG GLU 56 HG2 GLU 56 16.146 0.286 -1.480 458 2HG GLU 56 HG3 GLU 56 16.177 -1.153 -0.499 459 H SER 57 H SER 57 13.907 3.449 0.497 460 HA SER 57 HA SER 57 12.139 3.237 2.767 461 1HB SER 57 HB2 SER 57 13.288 5.724 1.435 462 2HB SER 57 HB3 SER 57 12.566 5.624 3.050 463 HG SER 57 HG SER 57 14.912 4.303 2.131 464 H ALA 58 H ALA 58 11.767 4.654 -0.487 465 HA ALA 58 HA ALA 58 9.446 6.186 0.067 466 1HB ALA 58 HB1 ALA 58 10.923 6.733 -1.701 467 2HB ALA 58 HB2 ALA 58 10.647 5.178 -2.507 468 3HB ALA 58 HB3 ALA 58 9.326 6.365 -2.396 469 H ASN 59 H ASN 59 7.572 5.359 0.714 470 HA ASN 59 HA ASN 59 6.336 2.930 -0.090 471 1HB ASN 59 HB2 ASN 59 4.232 4.048 0.696 472 2HB ASN 59 HB3 ASN 59 5.570 4.117 1.845 473 1HD2 ASN 59 2HD2 ASN 59 3.728 6.146 -0.580 474 2HD2 ASN 59 1HD2 ASN 59 4.197 7.633 0.221 475 H SER 60 H SER 60 6.719 5.932 -1.919 476 HA SER 60 HA SER 60 5.050 4.875 -4.095 477 1HB SER 60 HB2 SER 60 4.337 7.498 -2.733 478 2HB SER 60 HB3 SER 60 3.531 6.750 -4.125 479 HG SER 60 HG SER 60 3.397 4.861 -2.475 480 H ARG 61 H ARG 61 5.456 5.932 -6.081 481 HA ARG 61 HA ARG 61 8.057 6.683 -6.553 482 1HB ARG 61 HB2 ARG 61 6.241 5.971 -8.210 483 2HB ARG 61 HB3 ARG 61 5.704 7.659 -8.224 484 1HG ARG 61 HG2 ARG 61 8.183 8.229 -8.798 485 2HG ARG 61 HG3 ARG 61 8.384 6.491 -9.050 486 1HD ARG 61 HD2 ARG 61 7.871 7.321 -11.172 487 2HD ARG 61 HD3 ARG 61 6.335 6.656 -10.600 488 HE ARG 61 HE ARG 61 7.011 9.555 -10.289 489 1HH1 ARG 61 1HH2 ARG 61 4.897 7.131 -11.915 490 2HH1 ARG 61 2HH2 ARG 61 3.975 8.373 -12.703 491 1HH2 ARG 61 1HH1 ARG 61 5.946 11.052 -11.572 492 2HH2 ARG 61 2HH1 ARG 61 4.490 10.620 -12.424 493 H ASP 62 H ASP 62 5.271 8.911 -6.427 494 HA ASP 62 HA ASP 62 6.491 11.378 -6.446 495 1HB ASP 62 HB2 ASP 62 4.068 11.079 -6.294 496 2HB ASP 62 HB3 ASP 62 4.226 10.518 -4.619 497 H GLU 63 H GLU 63 6.371 9.158 -3.610 498 HA GLU 63 HA GLU 63 7.583 11.062 -1.825 499 1HB GLU 63 HB2 GLU 63 6.210 9.124 -1.030 500 2HB GLU 63 HB3 GLU 63 7.509 8.019 -1.532 501 1HG GLU 63 HG2 GLU 63 7.584 8.487 0.867 502 2HG GLU 63 HG3 GLU 63 9.057 8.990 0.040 503 H TYR 64 H TYR 64 8.756 8.299 -3.772 504 HA TYR 64 HA TYR 64 11.501 8.393 -3.162 505 1HB TYR 64 HB2 TYR 64 10.648 6.583 -4.406 506 2HB TYR 64 HB3 TYR 64 9.989 7.601 -5.646 507 HD1 TYR 64 HD1 TYR 64 13.253 6.542 -4.163 508 HD2 TYR 64 HD2 TYR 64 11.142 7.994 -7.630 509 HE1 TYR 64 HE1 TYR 64 15.120 5.796 -5.611 510 HE2 TYR 64 HE2 TYR 64 13.006 7.264 -9.072 511 HH TYR 64 HH TYR 64 15.830 5.494 -7.787 512 H TYR 65 H TYR 65 9.764 10.304 -5.680 513 HA TYR 65 HA TYR 65 12.085 11.855 -6.381 514 1HB TYR 65 HB2 TYR 65 9.101 12.317 -6.650 515 2HB TYR 65 HB3 TYR 65 10.254 13.589 -7.036 516 HD1 TYR 65 HD1 TYR 65 12.115 13.169 -8.669 517 HD2 TYR 65 HD2 TYR 65 8.739 10.536 -8.285 518 HE1 TYR 65 HE1 TYR 65 12.655 12.169 -10.870 519 HE2 TYR 65 HE2 TYR 65 9.400 9.393 -10.384 520 HH TYR 65 HH TYR 65 10.710 9.509 -12.233 521 H HIS 66 H HIS 66 9.442 12.562 -4.045 522 HA HIS 66 HA HIS 66 10.347 15.065 -3.216 523 1HB HIS 66 HB2 HIS 66 8.168 14.226 -2.598 524 2HB HIS 66 HB3 HIS 66 8.895 12.938 -1.630 525 HD2 HIS 66 HD2 HIS 66 7.760 13.742 0.645 526 HE1 HIS 66 HE1 HIS 66 9.932 17.384 1.033 527 HE2 HIS 66 HE2 HIS 66 8.391 15.737 2.223 528 H LEU 67 H LEU 67 11.023 11.971 -1.393 529 HA LEU 67 HA LEU 67 12.796 13.422 0.290 530 1HB LEU 67 HB2 LEU 67 13.612 11.237 1.165 531 2HB LEU 67 HB3 LEU 67 11.950 11.741 1.444 532 HG LEU 67 HG LEU 67 11.076 10.155 -0.099 533 1HD1 LEU 67 1HD1 LEU 67 13.979 9.615 -0.791 534 2HD1 LEU 67 2HD1 LEU 67 12.664 8.489 -1.197 535 3HD1 LEU 67 3HD1 LEU 67 12.678 10.129 -1.868 536 1HD2 LEU 67 1HD2 LEU 67 11.738 8.065 0.970 537 2HD2 LEU 67 2HD2 LEU 67 13.209 8.828 1.609 538 3HD2 LEU 67 3HD2 LEU 67 11.608 9.361 2.174 539 H LEU 68 H LEU 68 13.473 11.891 -2.822 540 HA LEU 68 HA LEU 68 16.341 12.081 -2.513 541 1HB LEU 68 HB2 LEU 68 14.507 12.026 -4.933 542 2HB LEU 68 HB3 LEU 68 16.239 12.315 -5.108 543 HG LEU 68 HG LEU 68 15.152 9.873 -3.676 544 1HD1 LEU 68 1HD1 LEU 68 14.385 9.777 -6.007 545 2HD1 LEU 68 2HD1 LEU 68 16.014 10.184 -6.588 546 3HD1 LEU 68 3HD1 LEU 68 15.731 8.644 -5.756 547 1HD2 LEU 68 1HD2 LEU 68 17.628 10.571 -3.284 548 2HD2 LEU 68 2HD2 LEU 68 17.369 8.985 -4.001 549 3HD2 LEU 68 3HD2 LEU 68 17.851 10.340 -5.025 550 H ALA 69 H ALA 69 13.975 14.329 -4.071 551 HA ALA 69 HA ALA 69 15.881 16.382 -4.587 552 1HB ALA 69 HB1 ALA 69 13.637 16.309 -5.587 553 2HB ALA 69 HB2 ALA 69 12.897 16.604 -3.996 554 3HB ALA 69 HB3 ALA 69 13.913 17.852 -4.754 555 H GLU 70 H GLU 70 13.818 15.821 -1.707 556 HA GLU 70 HA GLU 70 14.653 18.029 -0.179 557 1HB GLU 70 HB2 GLU 70 12.755 16.506 0.358 558 2HB GLU 70 HB3 GLU 70 13.919 15.220 0.723 559 1HG GLU 70 HG2 GLU 70 13.079 16.242 2.754 560 2HG GLU 70 HG3 GLU 70 14.821 16.494 2.612 561 H LYS 71 H LYS 71 16.076 14.668 -0.328 562 HA LYS 71 HA LYS 71 18.144 15.124 1.491 563 1HB LYS 71 HB2 LYS 71 17.502 12.961 0.752 564 2HB LYS 71 HB3 LYS 71 18.015 13.286 -0.908 565 1HG LYS 71 HG2 LYS 71 19.611 11.870 0.242 566 2HG LYS 71 HG3 LYS 71 20.356 13.413 -0.175 567 1HD LYS 71 HD2 LYS 71 20.232 14.193 2.090 568 2HD LYS 71 HD3 LYS 71 19.166 12.850 2.569 569 1HE LYS 71 HE2 LYS 71 20.973 11.229 2.199 570 2HE LYS 71 HE3 LYS 71 22.017 12.509 1.560 571 1HZ LYS 71 HZ1 LYS 71 21.966 13.544 3.711 572 2HZ LYS 71 HZ2 LYS 71 21.009 12.341 4.309 573 3HZ LYS 71 HZ3 LYS 71 22.543 12.004 3.808 574 H ILE 72 H ILE 72 18.158 15.599 -2.095 575 HA ILE 72 HA ILE 72 20.811 16.596 -2.354 576 HB ILE 72 HB ILE 72 18.306 17.502 -3.817 577 1HG1 ILE 72 2HG1 ILE 72 20.413 15.508 -4.727 578 2HG1 ILE 72 3HG1 ILE 72 18.851 15.044 -4.038 579 1HG2 ILE 72 1HG2 ILE 72 20.204 19.138 -4.025 580 2HG2 ILE 72 2HG2 ILE 72 21.198 17.833 -4.687 581 3HG2 ILE 72 3HG2 ILE 72 19.718 18.369 -5.529 582 1HD1 ILE 72 1HD1 ILE 72 17.800 16.570 -5.871 583 2HD1 ILE 72 2HD1 ILE 72 19.376 16.413 -6.679 584 3HD1 ILE 72 3HD1 ILE 72 18.406 14.977 -6.311 585 H TYR 73 H TYR 73 17.739 18.348 -1.658 586 HA TYR 73 HA TYR 73 18.901 20.883 -1.520 587 1HB TYR 73 HB2 TYR 73 16.378 20.128 -1.422 588 2HB TYR 73 HB3 TYR 73 16.599 20.232 0.312 589 HD1 TYR 73 HD1 TYR 73 16.105 22.112 -2.769 590 HD2 TYR 73 HD2 TYR 73 17.601 22.496 1.286 591 HE1 TYR 73 HE1 TYR 73 17.329 24.143 -3.371 592 HE2 TYR 73 HE2 TYR 73 18.681 24.601 0.664 593 HH TYR 73 HH TYR 73 19.150 25.458 -2.719 594 H LYS 74 H LYS 74 18.316 18.557 1.132 595 HA LYS 74 HA LYS 74 19.516 20.045 3.218 596 1HB LYS 74 HB2 LYS 74 19.407 17.027 2.823 597 2HB LYS 74 HB3 LYS 74 20.019 17.846 4.265 598 1HG LYS 74 HG2 LYS 74 17.792 19.030 4.493 599 2HG LYS 74 HG3 LYS 74 17.196 18.072 3.139 600 1HD LYS 74 HD2 LYS 74 16.452 17.012 5.138 601 2HD LYS 74 HD3 LYS 74 17.716 15.977 4.453 602 1HE LYS 74 HE2 LYS 74 19.352 16.858 6.108 603 2HE LYS 74 HE3 LYS 74 18.159 18.027 6.691 604 1HZ LYS 74 HZ1 LYS 74 16.810 16.187 7.407 605 2HZ LYS 74 HZ2 LYS 74 17.926 15.103 6.860 606 3HZ LYS 74 HZ3 LYS 74 18.304 16.122 8.098 607 H ILE 75 H ILE 75 21.114 17.715 0.942 608 HA ILE 75 HA ILE 75 23.736 18.005 1.985 609 HB ILE 75 HB ILE 75 22.846 17.555 -0.907 610 1HG1 ILE 75 2HG1 ILE 75 23.936 15.612 1.200 611 2HG1 ILE 75 3HG1 ILE 75 22.217 15.826 0.903 612 1HG2 ILE 75 1HG2 ILE 75 25.141 18.425 -0.905 613 2HG2 ILE 75 2HG2 ILE 75 25.593 17.308 0.400 614 3HG2 ILE 75 3HG2 ILE 75 25.193 16.697 -1.213 615 1HD1 ILE 75 1HD1 ILE 75 22.836 13.910 -0.333 616 2HD1 ILE 75 2HD1 ILE 75 22.610 15.199 -1.522 617 3HD1 ILE 75 3HD1 ILE 75 24.249 14.697 -1.044 618 H GLN 76 H GLN 76 22.211 20.050 -0.646 619 HA GLN 76 HA GLN 76 24.574 21.727 -0.599 620 1HB GLN 76 HB2 GLN 76 21.794 22.273 -1.669 621 2HB GLN 76 HB3 GLN 76 23.131 23.413 -1.817 622 1HG GLN 76 HG2 GLN 76 23.018 20.588 -2.993 623 2HG GLN 76 HG3 GLN 76 22.804 22.101 -3.866 624 1HE2 GLN 76 2HE2 GLN 76 24.515 20.687 -5.123 625 2HE2 GLN 76 1HE2 GLN 76 26.180 21.010 -4.743 626 H LYS 77 H LYS 77 21.472 21.997 1.164 627 HA LYS 77 HA LYS 77 21.922 24.593 2.162 628 1HB LYS 77 HB2 LYS 77 19.801 23.116 2.275 629 2HB LYS 77 HB3 LYS 77 20.568 22.299 3.619 630 1HG LYS 77 HG2 LYS 77 19.225 23.767 4.726 631 2HG LYS 77 HG3 LYS 77 20.729 24.672 4.690 632 1HD LYS 77 HD2 LYS 77 18.303 25.065 2.877 633 2HD LYS 77 HD3 LYS 77 18.773 26.070 4.244 634 1HE LYS 77 HE2 LYS 77 20.920 26.645 3.049 635 2HE LYS 77 HE3 LYS 77 20.294 25.823 1.604 636 1HZ LYS 77 HZ1 LYS 77 19.026 28.092 2.943 637 2HZ LYS 77 HZ2 LYS 77 19.860 28.129 1.522 638 3HZ LYS 77 HZ3 LYS 77 18.439 27.300 1.621 639 H GLU 78 H GLU 78 22.765 21.468 3.502 640 HA GLU 78 HA GLU 78 24.153 22.497 5.822 641 1HB GLU 78 HB2 GLU 78 24.142 19.761 4.482 642 2HB GLU 78 HB3 GLU 78 24.927 20.118 6.030 643 1HG GLU 78 HG2 GLU 78 21.945 20.437 5.491 644 2HG GLU 78 HG3 GLU 78 22.704 19.082 6.319 645 H LEU 79 H LEU 79 25.375 20.779 2.942 646 HA LEU 79 HA LEU 79 28.127 21.292 3.666 647 1HB LEU 79 HB2 LEU 79 27.079 19.128 2.872 648 2HB LEU 79 HB3 LEU 79 26.968 19.857 1.266 649 HG LEU 79 HG LEU 79 29.369 19.930 1.042 650 1HD1 LEU 79 1HD1 LEU 79 30.821 18.828 2.782 651 2HD1 LEU 79 2HD1 LEU 79 30.143 20.365 3.325 652 3HD1 LEU 79 3HD1 LEU 79 29.437 18.834 3.896 653 1HD2 LEU 79 1HD2 LEU 79 28.036 17.866 0.539 654 2HD2 LEU 79 2HD2 LEU 79 29.720 17.504 0.980 655 3HD2 LEU 79 3HD2 LEU 79 28.406 17.255 2.155 656 H GLU 80 H GLU 80 25.883 22.963 1.729 657 HA GLU 80 HA GLU 80 26.060 23.821 -0.399 658 1HB GLU 80 HB2 GLU 80 25.703 25.453 1.536 659 2HB GLU 80 HB3 GLU 80 27.406 25.886 1.386 660 1HG GLU 80 HG2 GLU 80 25.975 27.482 0.190 661 2HG GLU 80 HG3 GLU 80 26.996 26.621 -0.965 662 H GLU 81 H GLU 81 27.328 22.646 -1.717 663 HA GLU 81 HA GLU 81 30.181 23.537 -1.968 664 1HB GLU 81 HB2 GLU 81 30.741 21.362 -2.729 665 2HB GLU 81 HB3 GLU 81 29.966 21.254 -1.143 666 1HG GLU 81 HG2 GLU 81 27.859 20.499 -2.187 667 2HG GLU 81 HG3 GLU 81 28.553 20.749 -3.798 668 H LYS 82 H LYS 82 27.173 23.110 -3.703 669 HA LYS 82 HA LYS 82 27.401 22.506 -6.106 670 1HB LYS 82 HB2 LYS 82 25.602 24.016 -5.073 671 2HB LYS 82 HB3 LYS 82 26.499 25.382 -5.701 672 1HG LYS 82 HG2 LYS 82 24.875 24.986 -7.324 673 2HG LYS 82 HG3 LYS 82 26.294 24.204 -8.032 674 1HD LYS 82 HD2 LYS 82 25.453 21.987 -7.201 675 2HD LYS 82 HD3 LYS 82 24.110 22.807 -6.401 676 1HE LYS 82 HE2 LYS 82 23.224 21.885 -8.387 677 2HE LYS 82 HE3 LYS 82 23.331 23.629 -8.667 678 1HZ LYS 82 HZ1 LYS 82 24.117 22.382 -10.526 679 2HZ LYS 82 HZ2 LYS 82 25.389 23.191 -9.862 680 3HZ LYS 82 HZ3 LYS 82 25.211 21.569 -9.606 681 H ARG 83 H ARG 83 28.467 25.939 -5.853 682 HA ARG 83 HA ARG 83 29.846 25.755 -8.382 683 1HB ARG 83 HB2 ARG 83 28.683 27.769 -7.585 684 2HB ARG 83 HB3 ARG 83 29.866 27.955 -6.276 685 1HG ARG 83 HG2 ARG 83 31.664 28.325 -7.897 686 2HG ARG 83 HG3 ARG 83 30.575 27.944 -9.247 687 1HD ARG 83 HD2 ARG 83 29.182 29.900 -8.698 688 2HD ARG 83 HD3 ARG 83 30.242 30.282 -7.317 689 HE ARG 83 HE ARG 83 31.896 30.115 -9.571 690 1HH1 ARG 83 1HH1 ARG 83 29.216 32.127 -8.460 691 2HH1 ARG 83 2HH1 ARG 83 29.718 33.541 -9.346 692 1HH2 ARG 83 1HH2 ARG 83 32.575 31.954 -10.729 693 2HH2 ARG 83 2HH2 ARG 83 31.670 33.440 -10.655 694 H ARG 84 H ARG 84 30.858 25.327 -5.038 695 HA ARG 84 HA ARG 84 33.664 25.973 -5.436 696 1HB ARG 84 HB2 ARG 84 32.359 24.370 -3.195 697 2HB ARG 84 HB3 ARG 84 33.971 25.087 -3.211 698 1HG ARG 84 HG2 ARG 84 32.892 27.347 -3.432 699 2HG ARG 84 HG3 ARG 84 31.305 26.579 -3.239 700 1HD ARG 84 HD2 ARG 84 33.579 26.537 -1.204 701 2HD ARG 84 HD3 ARG 84 32.116 27.504 -1.118 702 HE ARG 84 HE ARG 84 30.765 25.608 -0.711 703 1HH1 ARG 84 1HH2 ARG 84 34.189 24.656 -0.850 704 2HH1 ARG 84 2HH2 ARG 84 33.937 23.243 0.137 705 1HH2 ARG 84 1HH1 ARG 84 30.451 23.822 0.503 706 2HH2 ARG 84 2HH1 ARG 84 31.755 22.747 0.931 707 H SER 85 H SER 85 31.660 23.104 -5.302 708 HA SER 85 HA SER 85 32.519 20.833 -5.117 709 1HB SER 85 HB2 SER 85 31.958 20.126 -7.512 710 2HB SER 85 HB3 SER 85 30.730 21.048 -6.626 711 HG SER 85 HG SER 85 31.030 22.727 -7.886 712 H ARG 86 H ARG 86 33.838 22.074 -8.117 713 HA ARG 86 HA ARG 86 35.899 20.471 -8.786 714 1HB ARG 86 HB2 ARG 86 36.064 23.507 -8.672 715 2HB ARG 86 HB3 ARG 86 37.122 22.444 -9.604 716 1HG ARG 86 HG2 ARG 86 35.704 22.743 -11.298 717 2HG ARG 86 HG3 ARG 86 34.654 21.589 -10.480 718 1HD ARG 86 HD2 ARG 86 33.467 23.583 -9.386 719 2HD ARG 86 HD3 ARG 86 34.571 24.641 -10.247 720 HE ARG 86 HE ARG 86 33.415 24.342 -12.189 721 1HH1 ARG 86 1HH1 ARG 86 32.143 21.954 -9.821 722 2HH1 ARG 86 2HH1 ARG 86 31.214 21.145 -11.075 723 1HH2 ARG 86 1HH2 ARG 86 31.968 23.287 -13.680 724 2HH2 ARG 86 2HH2 ARG 86 31.037 21.907 -13.099 725 H LEU 87 H LEU 87 36.273 23.024 -6.338 726 HA LEU 87 HA LEU 87 38.990 22.328 -5.640 727 1HB LEU 87 HB2 LEU 87 38.081 24.583 -5.309 728 2HB LEU 87 HB3 LEU 87 36.850 23.955 -4.208 729 HG LEU 87 HG LEU 87 38.602 23.303 -2.582 730 1HD1 LEU 87 1HD1 LEU 87 40.933 24.165 -2.921 731 2HD1 LEU 87 2HD1 LEU 87 40.521 22.868 -4.045 732 3HD1 LEU 87 3HD1 LEU 87 40.520 24.557 -4.602 733 1HD2 LEU 87 1HD2 LEU 87 39.222 25.582 -1.908 734 2HD2 LEU 87 2HD2 LEU 87 38.812 26.192 -3.526 735 3HD2 LEU 87 3HD2 LEU 87 37.543 25.531 -2.472 736 1H LYS 88 H1 LYS 88 16.938 33.133 -5.052 737 2H LYS 88 H2 LYS 88 15.866 33.911 -4.076 738 3H LYS 88 H3 LYS 88 17.486 34.020 -3.780 739 HA LYS 88 HA LYS 88 17.635 31.700 -3.284 740 1HB LYS 88 HB2 LYS 88 15.452 33.155 -1.730 741 2HB LYS 88 HB3 LYS 88 16.271 31.671 -1.203 742 1HG LYS 88 HG2 LYS 88 18.464 32.891 -1.334 743 2HG LYS 88 HG3 LYS 88 17.593 34.387 -1.678 744 1HD LYS 88 HD2 LYS 88 17.342 32.660 0.833 745 2HD LYS 88 HD3 LYS 88 18.213 34.189 0.708 746 1HE LYS 88 HE2 LYS 88 15.190 33.801 0.465 747 2HE LYS 88 HE3 LYS 88 16.071 34.546 1.800 748 1HZ LYS 88 HZ1 LYS 88 15.933 35.581 -0.941 749 2HZ LYS 88 HZ2 LYS 88 15.160 36.192 0.379 750 3HZ LYS 88 HZ3 LYS 88 16.804 36.255 0.287 751 H GLU 89 H GLU 89 14.131 32.489 -3.304 752 HA GLU 89 HA GLU 89 13.106 29.977 -3.466 753 1HB GLU 89 HB2 GLU 89 11.121 30.906 -4.419 754 2HB GLU 89 HB3 GLU 89 11.769 32.002 -3.196 755 1HG GLU 89 HG2 GLU 89 11.808 32.336 -6.225 756 2HG GLU 89 HG3 GLU 89 10.945 33.312 -5.040 757 H LYS 90 H LYS 90 14.134 31.858 -6.309 758 HA LYS 90 HA LYS 90 13.469 29.964 -8.290 759 1HB LYS 90 HB2 LYS 90 14.087 32.290 -8.750 760 2HB LYS 90 HB3 LYS 90 15.748 31.990 -8.207 761 1HG LYS 90 HG2 LYS 90 16.119 30.429 -10.049 762 2HG LYS 90 HG3 LYS 90 14.417 30.540 -10.544 763 1HD LYS 90 HD2 LYS 90 14.709 32.927 -11.084 764 2HD LYS 90 HD3 LYS 90 16.386 32.877 -10.499 765 1HE LYS 90 HE2 LYS 90 16.975 31.233 -12.250 766 2HE LYS 90 HE3 LYS 90 15.298 31.215 -12.825 767 1HZ LYS 90 HZ1 LYS 90 15.528 33.528 -13.369 768 2HZ LYS 90 HZ2 LYS 90 17.085 33.546 -12.826 769 3HZ LYS 90 HZ3 LYS 90 16.680 32.634 -14.136 770 H ARG 91 H ARG 91 16.333 30.225 -6.219 771 HA ARG 91 HA ARG 91 17.850 28.166 -7.604 772 1HB ARG 91 HB2 ARG 91 18.939 29.959 -6.347 773 2HB ARG 91 HB3 ARG 91 18.269 29.369 -4.822 774 1HG ARG 91 HG2 ARG 91 19.833 27.450 -6.542 775 2HG ARG 91 HG3 ARG 91 20.718 28.715 -5.686 776 1HD ARG 91 HD2 ARG 91 19.980 27.996 -3.551 777 2HD ARG 91 HD3 ARG 91 18.803 26.868 -4.232 778 HE ARG 91 HE ARG 91 20.938 25.830 -5.346 779 1HH1 ARG 91 1HH2 ARG 91 20.660 26.677 -1.920 780 2HH1 ARG 91 2HH2 ARG 91 22.322 26.279 -1.555 781 1HH2 ARG 91 1HH1 ARG 91 23.023 25.118 -4.828 782 2HH2 ARG 91 2HH1 ARG 91 23.637 25.270 -3.201 783 H ILE 92 H ILE 92 15.774 28.375 -4.695 784 HA ILE 92 HA ILE 92 16.014 25.708 -3.810 785 HB ILE 92 HB ILE 92 13.515 27.437 -3.729 786 1HG1 ILE 92 2HG1 ILE 92 15.206 28.654 -2.567 787 2HG1 ILE 92 3HG1 ILE 92 14.148 27.912 -1.385 788 1HG2 ILE 92 1HG2 ILE 92 12.883 26.000 -1.803 789 2HG2 ILE 92 2HG2 ILE 92 12.894 25.164 -3.353 790 3HG2 ILE 92 3HG2 ILE 92 14.229 24.913 -2.211 791 1HD1 ILE 92 1HD1 ILE 92 15.867 26.107 -1.047 792 2HD1 ILE 92 2HD1 ILE 92 16.934 26.986 -2.180 793 3HD1 ILE 92 3HD1 ILE 92 16.451 27.733 -0.652 794 H LYS 93 H LYS 93 13.615 27.107 -6.029 795 HA LYS 93 HA LYS 93 12.399 24.590 -6.607 796 1HB LYS 93 HB2 LYS 93 12.257 27.297 -7.949 797 2HB LYS 93 HB3 LYS 93 11.244 25.926 -8.423 798 1HG LYS 93 HG2 LYS 93 11.412 26.957 -5.551 799 2HG LYS 93 HG3 LYS 93 10.243 27.559 -6.730 800 1HD LYS 93 HD2 LYS 93 8.849 25.916 -6.103 801 2HD LYS 93 HD3 LYS 93 9.923 24.775 -6.903 802 1HE LYS 93 HE2 LYS 93 9.454 24.008 -4.661 803 2HE LYS 93 HE3 LYS 93 11.158 24.457 -4.737 804 1HZ LYS 93 HZ1 LYS 93 8.984 26.108 -3.645 805 2HZ LYS 93 HZ2 LYS 93 10.089 25.257 -2.768 806 3HZ LYS 93 HZ3 LYS 93 10.576 26.535 -3.685 807 H GLU 94 H GLU 94 14.967 26.406 -8.370 808 HA GLU 94 HA GLU 94 15.097 24.590 -10.570 809 1HB GLU 94 HB2 GLU 94 17.152 26.375 -9.233 810 2HB GLU 94 HB3 GLU 94 17.543 25.377 -10.642 811 1HG GLU 94 HG2 GLU 94 15.863 26.440 -12.008 812 2HG GLU 94 HG3 GLU 94 15.234 27.370 -10.649 813 H LEU 95 H LEU 95 16.975 24.585 -7.471 814 HA LEU 95 HA LEU 95 18.427 22.233 -8.080 815 1HB LEU 95 HB2 LEU 95 19.062 23.835 -6.360 816 2HB LEU 95 HB3 LEU 95 17.625 23.433 -5.419 817 HG LEU 95 HG LEU 95 18.495 21.251 -4.841 818 1HD1 LEU 95 1HD1 LEU 95 19.620 20.519 -6.899 819 2HD1 LEU 95 2HD1 LEU 95 20.740 21.898 -6.833 820 3HD1 LEU 95 3HD1 LEU 95 20.854 20.608 -5.629 821 1HD2 LEU 95 1HD2 LEU 95 19.426 23.304 -3.648 822 2HD2 LEU 95 2HD2 LEU 95 20.424 21.848 -3.580 823 3HD2 LEU 95 3HD2 LEU 95 20.840 23.184 -4.687 824 H GLU 96 H GLU 96 15.281 22.656 -6.380 825 HA GLU 96 HA GLU 96 14.843 19.874 -5.851 826 1HB GLU 96 HB2 GLU 96 13.650 21.588 -4.695 827 2HB GLU 96 HB3 GLU 96 13.047 22.295 -6.183 828 1HG GLU 96 HG2 GLU 96 11.691 20.199 -6.579 829 2HG GLU 96 HG3 GLU 96 12.248 19.604 -5.002 830 H LEU 97 H LEU 97 13.667 21.943 -8.532 831 HA LEU 97 HA LEU 97 12.189 20.004 -9.879 832 1HB LEU 97 HB2 LEU 97 11.913 22.390 -10.246 833 2HB LEU 97 HB3 LEU 97 13.548 22.508 -10.925 834 HG LEU 97 HG LEU 97 12.876 21.153 -12.866 835 1HD1 LEU 97 1HD1 LEU 97 10.448 20.667 -13.233 836 2HD1 LEU 97 2HD1 LEU 97 11.122 19.717 -11.907 837 3HD1 LEU 97 3HD1 LEU 97 10.116 21.140 -11.553 838 1HD2 LEU 97 1HD2 LEU 97 12.644 23.606 -12.911 839 2HD2 LEU 97 2HD2 LEU 97 11.389 22.821 -13.888 840 3HD2 LEU 97 3HD2 LEU 97 10.987 23.470 -12.283 841 H LEU 98 H LEU 98 15.633 20.884 -10.237 842 HA LEU 98 HA LEU 98 16.338 19.596 -12.548 843 1HB LEU 98 HB2 LEU 98 17.893 20.870 -11.175 844 2HB LEU 98 HB3 LEU 98 17.810 19.663 -9.886 845 HG LEU 98 HG LEU 98 18.935 18.002 -11.299 846 1HD1 LEU 98 1HD1 LEU 98 19.938 18.711 -13.481 847 2HD1 LEU 98 2HD1 LEU 98 18.176 18.648 -13.552 848 3HD1 LEU 98 3HD1 LEU 98 19.001 20.216 -13.405 849 1HD2 LEU 98 1HD2 LEU 98 21.134 19.064 -11.349 850 2HD2 LEU 98 2HD2 LEU 98 20.392 20.678 -11.304 851 3HD2 LEU 98 3HD2 LEU 98 20.245 19.595 -9.907 852 H LEU 99 H LEU 99 15.945 18.032 -9.332 853 HA LEU 99 HA LEU 99 16.589 15.407 -10.326 854 1HB LEU 99 HB2 LEU 99 16.768 16.287 -7.967 855 2HB LEU 99 HB3 LEU 99 15.022 16.149 -7.815 856 HG LEU 99 HG LEU 99 16.291 14.325 -6.764 857 1HD1 LEU 99 1HD1 LEU 99 15.011 12.457 -7.490 858 2HD1 LEU 99 2HD1 LEU 99 13.999 13.914 -7.534 859 3HD1 LEU 99 3HD1 LEU 99 14.650 13.211 -9.044 860 1HD2 LEU 99 1HD2 LEU 99 18.162 14.234 -8.480 861 2HD2 LEU 99 2HD2 LEU 99 17.516 12.660 -7.975 862 3HD2 LEU 99 3HD2 LEU 99 17.052 13.342 -9.541 863 H MET 100 H MET 100 13.513 17.064 -9.518 864 HA MET 100 HA MET 100 11.769 14.909 -10.055 865 1HB MET 100 HB2 MET 100 11.302 17.903 -10.213 866 2HB MET 100 HB3 MET 100 10.024 16.681 -10.264 867 1HG MET 100 HG2 MET 100 10.683 15.836 -8.064 868 2HG MET 100 HG3 MET 100 11.987 17.027 -7.956 869 1HE MET 100 HE1 MET 100 11.049 17.554 -5.544 870 2HE MET 100 HE2 MET 100 9.395 18.135 -5.234 871 3HE MET 100 HE3 MET 100 9.664 16.458 -5.762 872 H SER 101 H SER 101 13.123 17.283 -12.285 873 HA SER 101 HA SER 101 11.382 17.031 -14.403 874 1HB SER 101 HB2 SER 101 13.155 17.922 -15.797 875 2HB SER 101 HB3 SER 101 13.176 18.717 -14.221 876 HG SER 101 HG SER 101 14.958 17.403 -13.642 877 H THR 102 H THR 102 14.250 15.028 -13.798 878 HA THR 102 HA THR 102 14.961 13.773 -15.836 879 HB THR 102 HB THR 102 14.161 12.031 -13.468 880 HG1 THR 102 HG1 THR 102 15.147 13.685 -12.528 881 1HG2 THR 102 1HG2 THR 102 15.220 10.812 -15.344 882 2HG2 THR 102 2HG2 THR 102 16.491 12.042 -15.435 883 3HG2 THR 102 3HG2 THR 102 16.378 10.989 -14.008 884 H GLU 103 H GLU 103 12.124 12.058 -14.338 885 HA GLU 103 HA GLU 103 11.887 10.267 -16.481 886 1HB GLU 103 HB2 GLU 103 9.645 9.767 -15.603 887 2HB GLU 103 HB3 GLU 103 10.910 9.834 -14.378 888 1HG GLU 103 HG2 GLU 103 10.099 12.181 -13.765 889 2HG GLU 103 HG3 GLU 103 8.774 11.957 -14.920 890 H ASN 104 H ASN 104 10.527 13.473 -16.086 891 HA ASN 104 HA ASN 104 8.643 13.374 -18.266 892 1HB ASN 104 HB2 ASN 104 9.927 15.892 -17.154 893 2HB ASN 104 HB3 ASN 104 8.399 15.714 -18.005 894 1HD2 ASN 104 2HD2 ASN 104 10.102 15.121 -14.945 895 2HD2 ASN 104 1HD2 ASN 104 8.664 14.879 -13.974 896 H GLU 105 H GLU 105 11.964 14.607 -17.837 897 HA GLU 105 HA GLU 105 12.409 15.526 -20.495 898 1HB GLU 105 HB2 GLU 105 14.427 14.312 -18.552 899 2HB GLU 105 HB3 GLU 105 14.803 15.258 -19.992 900 1HG GLU 105 HG2 GLU 105 13.642 17.220 -19.040 901 2HG GLU 105 HG3 GLU 105 13.245 16.299 -17.582 902 H LEU 106 H LEU 106 13.127 12.346 -18.994 903 HA LEU 106 HA LEU 106 14.176 11.158 -21.352 904 1HB LEU 106 HB2 LEU 106 13.220 10.153 -18.684 905 2HB LEU 106 HB3 LEU 106 13.343 8.990 -20.002 906 HG LEU 106 HG LEU 106 15.679 9.590 -20.420 907 1HD1 LEU 106 1HD1 LEU 106 15.715 11.943 -19.620 908 2HD1 LEU 106 2HD1 LEU 106 15.459 11.374 -17.954 909 3HD1 LEU 106 3HD1 LEU 106 16.945 10.963 -18.822 910 1HD2 LEU 106 1HD2 LEU 106 15.142 8.906 -17.506 911 2HD2 LEU 106 2HD2 LEU 106 15.116 7.753 -18.858 912 3HD2 LEU 106 3HD2 LEU 106 16.630 8.560 -18.409 913 H LYS 107 H LYS 107 10.814 10.797 -19.983 914 HA LYS 107 HA LYS 107 10.023 9.207 -22.220 915 1HB LYS 107 HB2 LYS 107 7.848 9.257 -21.423 916 2HB LYS 107 HB3 LYS 107 8.888 9.270 -19.995 917 1HG LYS 107 HG2 LYS 107 8.506 11.774 -19.858 918 2HG LYS 107 HG3 LYS 107 7.354 11.619 -21.197 919 1HD LYS 107 HD2 LYS 107 6.028 9.978 -19.853 920 2HD LYS 107 HD3 LYS 107 7.177 10.157 -18.519 921 1HE LYS 107 HE2 LYS 107 5.150 11.472 -18.109 922 2HE LYS 107 HE3 LYS 107 6.552 12.532 -18.253 923 1HZ LYS 107 HZ1 LYS 107 5.887 12.996 -20.506 924 2HZ LYS 107 HZ2 LYS 107 4.586 11.991 -20.370 925 3HZ LYS 107 HZ3 LYS 107 4.674 13.359 -19.454 926 H GLY 108 H GLY 108 10.074 12.730 -21.714 927 1HA GLY 108 HA2 GLY 108 8.679 13.537 -24.054 928 2HA GLY 108 HA3 GLY 108 9.984 14.420 -23.237 929 H GLN 109 H GLN 109 12.195 12.914 -23.509 930 HA GLN 109 HA GLN 109 12.811 13.222 -26.337 931 1HB GLN 109 HB2 GLN 109 14.190 13.945 -24.331 932 2HB GLN 109 HB3 GLN 109 14.656 12.261 -24.113 933 1HG GLN 109 HG2 GLN 109 15.047 13.808 -26.733 934 2HG GLN 109 HG3 GLN 109 16.216 13.878 -25.416 935 1HE2 GLN 109 2HE2 GLN 109 16.955 11.612 -24.551 936 2HE2 GLN 109 1HE2 GLN 109 17.269 10.428 -25.817 937 H GLN 110 H GLN 110 10.970 11.371 -26.415 938 HA GLN 110 HA GLN 110 12.092 8.650 -26.294 939 1HB GLN 110 HB2 GLN 110 9.893 7.959 -27.154 940 2HB GLN 110 HB3 GLN 110 9.839 8.888 -25.657 941 1HG GLN 110 HG2 GLN 110 9.149 10.928 -26.984 942 2HG GLN 110 HG3 GLN 110 9.130 9.930 -28.441 943 1HE2 GLN 110 2HE2 GLN 110 7.824 10.061 -25.087 944 2HE2 GLN 110 1HE2 GLN 110 6.249 9.391 -25.519 945 H ALA 111 H ALA 111 13.902 9.746 -27.718 946 HA ALA 111 HA ALA 111 13.310 9.021 -30.569 947 1HB ALA 111 HB1 ALA 111 13.096 11.444 -30.387 948 2HB ALA 111 HB2 ALA 111 14.722 11.564 -29.689 949 3HB ALA 111 HB3 ALA 111 14.513 10.985 -31.352 950 H LEU 112 H LEU 112 16.113 10.025 -28.476 951 HA LEU 112 HA LEU 112 17.586 7.651 -29.489 952 1HB LEU 112 HB2 LEU 112 19.500 9.038 -30.169 953 2HB LEU 112 HB3 LEU 112 18.053 9.280 -31.136 954 HG LEU 112 HG LEU 112 17.582 11.409 -29.870 955 1HD1 LEU 112 1HD1 LEU 112 20.358 10.867 -28.712 956 2HD1 LEU 112 2HD1 LEU 112 19.573 12.458 -28.721 957 3HD1 LEU 112 3HD1 LEU 112 18.853 11.144 -27.802 958 1HD2 LEU 112 1HD2 LEU 112 19.299 12.687 -31.080 959 2HD2 LEU 112 2HD2 LEU 112 20.259 11.209 -31.306 960 3HD2 LEU 112 3HD2 LEU 112 18.668 11.370 -32.080 Start of MODEL 2 1 1H GLY 1 H1 GLY 1 6.928 -1.990 -7.321 2 2H GLY 1 H2 GLY 1 6.197 -0.524 -7.137 3 3H GLY 1 H3 GLY 1 7.533 -0.666 -8.091 4 1HA GLY 1 HA2 GLY 1 8.917 -1.205 -6.252 5 2HA GLY 1 HA3 GLY 1 8.118 0.357 -6.012 6 H VAL 2 H VAL 2 5.792 0.044 -4.979 7 HA VAL 2 HA VAL 2 6.269 -1.086 -2.365 8 HB VAL 2 HB VAL 2 4.069 -0.118 -1.813 9 1HG1 VAL 2 1HG1 VAL 2 6.150 1.174 -1.587 10 2HG1 VAL 2 2HG1 VAL 2 5.992 1.757 -3.257 11 3HG1 VAL 2 3HG1 VAL 2 4.791 2.219 -2.042 12 1HG2 VAL 2 1HG2 VAL 2 2.892 1.331 -3.358 13 2HG2 VAL 2 2HG2 VAL 2 4.035 0.992 -4.664 14 3HG2 VAL 2 3HG2 VAL 2 2.948 -0.279 -4.078 15 H ARG 3 H ARG 3 6.554 -3.244 -3.562 16 HA ARG 3 HA ARG 3 4.599 -4.704 -4.730 17 1HB ARG 3 HB2 ARG 3 5.867 -6.731 -4.061 18 2HB ARG 3 HB3 ARG 3 6.844 -5.420 -4.729 19 1HG ARG 3 HG2 ARG 3 7.468 -4.749 -2.355 20 2HG ARG 3 HG3 ARG 3 6.648 -6.217 -1.788 21 1HD ARG 3 HD2 ARG 3 8.922 -6.131 -3.820 22 2HD ARG 3 HD3 ARG 3 9.151 -6.450 -2.112 23 HE ARG 3 HE ARG 3 8.020 -8.226 -4.164 24 1HH1 ARG 3 1HH2 ARG 3 8.368 -7.700 -0.674 25 2HH1 ARG 3 2HH2 ARG 3 8.286 -9.400 -0.282 26 1HH2 ARG 3 1HH1 ARG 3 7.818 -10.427 -3.636 27 2HH2 ARG 3 2HH1 ARG 3 7.934 -10.967 -1.983 28 H LYS 4 H LYS 4 5.026 -4.584 -1.216 29 HA LYS 4 HA LYS 4 2.576 -6.261 -0.812 30 1HB LYS 4 HB2 LYS 4 4.962 -5.506 0.850 31 2HB LYS 4 HB3 LYS 4 3.483 -5.970 1.657 32 1HG LYS 4 HG2 LYS 4 4.828 -7.725 -0.445 33 2HG LYS 4 HG3 LYS 4 5.147 -7.796 1.299 34 1HD LYS 4 HD2 LYS 4 2.617 -8.076 1.631 35 2HD LYS 4 HD3 LYS 4 2.504 -8.407 -0.101 36 1HE LYS 4 HE2 LYS 4 3.903 -10.354 0.096 37 2HE LYS 4 HE3 LYS 4 4.387 -9.915 1.742 38 1HZ LYS 4 HZ1 LYS 4 2.179 -10.243 2.476 39 2HZ LYS 4 HZ2 LYS 4 1.680 -10.694 0.962 40 3HZ LYS 4 HZ3 LYS 4 2.788 -11.610 1.782 41 H GLY 5 H GLY 5 2.966 -3.078 -1.467 42 1HA GLY 5 HA2 GLY 5 1.778 -1.204 -0.946 43 2HA GLY 5 HA3 GLY 5 0.647 -2.192 -0.014 44 H TRP 6 H TRP 6 1.529 -2.974 2.110 45 HA TRP 6 HA TRP 6 2.213 -0.798 3.825 46 1HB TRP 6 HB2 TRP 6 2.240 -2.445 5.562 47 2HB TRP 6 HB3 TRP 6 0.894 -2.747 4.491 48 HD1 TRP 6 HD1 TRP 6 0.745 -5.104 3.363 49 HE1 TRP 6 HE1 TRP 6 1.998 -7.325 3.696 50 HE3 TRP 6 HE3 TRP 6 4.731 -3.411 6.097 51 HZ2 TRP 6 HZ2 TRP 6 4.547 -8.171 4.670 52 HZ3 TRP 6 HZ3 TRP 6 6.526 -4.990 6.770 53 HH2 TRP 6 HH2 TRP 6 6.473 -7.344 6.027 54 H HIS 7 H HIS 7 4.213 -2.969 2.028 55 HA HIS 7 HA HIS 7 6.738 -2.734 3.179 56 1HB HIS 7 HB2 HIS 7 6.535 -4.092 1.296 57 2HB HIS 7 HB3 HIS 7 5.659 -2.871 0.359 58 HD2 HIS 7 HD2 HIS 7 8.913 -4.501 0.409 59 HE1 HIS 7 HE1 HIS 7 9.432 -0.909 -1.808 60 HE2 HIS 7 HE2 HIS 7 10.427 -3.193 -1.283 61 H GLU 8 H GLU 8 4.858 -0.222 1.491 62 HA GLU 8 HA GLU 8 6.865 1.678 1.073 63 1HB GLU 8 HB2 GLU 8 5.087 3.235 0.838 64 2HB GLU 8 HB3 GLU 8 4.466 1.675 0.292 65 1HG GLU 8 HG2 GLU 8 3.540 1.448 2.749 66 2HG GLU 8 HG3 GLU 8 3.842 3.193 2.831 67 H HIS 9 H HIS 9 5.371 0.655 4.098 68 HA HIS 9 HA HIS 9 6.564 2.848 5.662 69 1HB HIS 9 HB2 HIS 9 5.187 0.300 6.598 70 2HB HIS 9 HB3 HIS 9 5.576 1.740 7.521 71 HD2 HIS 9 HD2 HIS 9 4.222 3.685 5.060 72 HE1 HIS 9 HE1 HIS 9 0.666 1.906 6.565 73 HE2 HIS 9 HE2 HIS 9 1.607 3.823 5.187 74 H VAL 10 H VAL 10 6.732 -0.702 5.398 75 HA VAL 10 HA VAL 10 9.032 -0.740 7.196 76 HB VAL 10 HB VAL 10 7.644 -3.074 5.878 77 1HG1 VAL 10 1HG1 VAL 10 8.724 -4.383 7.599 78 2HG1 VAL 10 2HG1 VAL 10 10.000 -3.422 6.853 79 3HG1 VAL 10 3HG1 VAL 10 9.342 -2.933 8.415 80 1HG2 VAL 10 1HG2 VAL 10 7.195 -1.643 8.550 81 2HG2 VAL 10 2HG2 VAL 10 6.018 -1.852 7.243 82 3HG2 VAL 10 3HG2 VAL 10 6.552 -3.247 8.189 83 H THR 11 H THR 11 10.595 0.330 6.084 84 HA THR 11 HA THR 11 11.726 -0.664 3.605 85 HB THR 11 HB THR 11 13.445 1.094 4.133 86 HG1 THR 11 HG1 THR 11 12.771 2.457 5.961 87 1HG2 THR 11 1HG2 THR 11 11.962 2.981 3.794 88 2HG2 THR 11 2HG2 THR 11 11.356 1.593 2.872 89 3HG2 THR 11 3HG2 THR 11 10.565 2.064 4.392 90 H GLN 12 H GLN 12 14.001 -1.103 3.474 91 HA GLN 12 HA GLN 12 14.897 -3.429 4.632 92 1HB GLN 12 HB2 GLN 12 16.443 -1.110 3.417 93 2HB GLN 12 HB3 GLN 12 17.153 -2.658 3.861 94 1HG GLN 12 HG2 GLN 12 16.768 -2.863 1.583 95 2HG GLN 12 HG3 GLN 12 15.482 -3.807 2.340 96 1HE2 GLN 12 2HE2 GLN 12 14.917 -3.373 -0.167 97 2HE2 GLN 12 1HE2 GLN 12 13.863 -1.990 -0.413 98 H ASP 13 H ASP 13 15.610 -0.104 5.704 99 HA ASP 13 HA ASP 13 17.431 -0.659 7.783 100 1HB ASP 13 HB2 ASP 13 16.968 1.600 6.987 101 2HB ASP 13 HB3 ASP 13 15.292 1.506 7.554 102 H LEU 14 H LEU 14 13.837 -0.410 7.942 103 HA LEU 14 HA LEU 14 13.732 -1.049 10.731 104 1HB LEU 14 HB2 LEU 14 11.994 0.238 9.668 105 2HB LEU 14 HB3 LEU 14 11.603 -1.083 8.563 106 HG LEU 14 HG LEU 14 10.692 -2.415 10.344 107 1HD1 LEU 14 1HD1 LEU 14 12.227 -1.841 12.228 108 2HD1 LEU 14 2HD1 LEU 14 11.491 -0.219 12.293 109 3HD1 LEU 14 3HD1 LEU 14 10.538 -1.658 12.675 110 1HD2 LEU 14 1HD2 LEU 14 9.785 0.489 10.649 111 2HD2 LEU 14 2HD2 LEU 14 9.268 -0.612 9.366 112 3HD2 LEU 14 3HD2 LEU 14 8.820 -0.943 11.040 113 H ARG 15 H ARG 15 13.394 -2.991 7.732 114 HA ARG 15 HA ARG 15 12.782 -5.494 8.926 115 1HB ARG 15 HB2 ARG 15 14.536 -4.921 6.511 116 2HB ARG 15 HB3 ARG 15 13.897 -6.508 6.940 117 1HG ARG 15 HG2 ARG 15 11.602 -5.759 6.637 118 2HG ARG 15 HG3 ARG 15 12.132 -4.096 6.440 119 1HD ARG 15 HD2 ARG 15 13.580 -5.289 4.445 120 2HD ARG 15 HD3 ARG 15 12.132 -6.304 4.460 121 HE ARG 15 HE ARG 15 11.143 -3.713 4.554 122 1HH1 ARG 15 1HH1 ARG 15 13.238 -5.445 2.293 123 2HH1 ARG 15 2HH1 ARG 15 12.905 -4.355 0.969 124 1HH2 ARG 15 2HH2 ARG 15 10.589 -2.444 2.875 125 2HH2 ARG 15 1HH2 ARG 15 11.301 -2.619 1.283 126 H SER 16 H SER 16 15.998 -4.037 8.266 127 HA SER 16 HA SER 16 17.560 -6.127 9.367 128 1HB SER 16 HB2 SER 16 18.374 -4.319 7.873 129 2HB SER 16 HB3 SER 16 18.227 -3.153 9.198 130 HG SER 16 HG SER 16 19.774 -4.410 10.343 131 H HIS 17 H HIS 17 16.373 -3.073 10.883 132 HA HIS 17 HA HIS 17 17.554 -3.551 13.433 133 1HB HIS 17 HB2 HIS 17 16.619 -1.401 12.494 134 2HB HIS 17 HB3 HIS 17 14.996 -2.017 12.809 135 HD2 HIS 17 HD2 HIS 17 14.098 -0.833 14.874 136 HE1 HIS 17 HE1 HIS 17 17.702 -0.086 16.990 137 HE2 HIS 17 HE2 HIS 17 15.183 0.306 16.976 138 H LEU 18 H LEU 18 14.329 -4.498 12.098 139 HA LEU 18 HA LEU 18 13.399 -5.776 14.480 140 1HB LEU 18 HB2 LEU 18 12.755 -6.083 11.544 141 2HB LEU 18 HB3 LEU 18 12.014 -7.147 12.747 142 HG LEU 18 HG LEU 18 11.862 -4.110 12.902 143 1HD1 LEU 18 1HD1 LEU 18 9.617 -4.343 11.921 144 2HD1 LEU 18 2HD1 LEU 18 10.847 -4.949 10.799 145 3HD1 LEU 18 3HD1 LEU 18 9.866 -6.093 11.745 146 1HD2 LEU 18 1HD2 LEU 18 10.238 -6.341 14.227 147 2HD2 LEU 18 2HD2 LEU 18 11.350 -5.237 15.062 148 3HD2 LEU 18 3HD2 LEU 18 9.873 -4.613 14.333 149 H VAL 19 H VAL 19 15.218 -7.136 11.662 150 HA VAL 19 HA VAL 19 15.510 -9.774 12.616 151 HB VAL 19 HB VAL 19 17.285 -7.988 10.947 152 1HG1 VAL 19 1HG1 VAL 19 18.874 -9.488 12.102 153 2HG1 VAL 19 2HG1 VAL 19 17.886 -10.885 11.612 154 3HG1 VAL 19 3HG1 VAL 19 18.699 -9.885 10.398 155 1HG2 VAL 19 1HG2 VAL 19 16.628 -9.531 9.172 156 2HG2 VAL 19 2HG2 VAL 19 15.733 -10.536 10.337 157 3HG2 VAL 19 3HG2 VAL 19 15.196 -8.885 9.970 158 H HIS 20 H HIS 20 17.560 -6.905 13.358 159 HA HIS 20 HA HIS 20 19.223 -8.159 15.258 160 1HB HIS 20 HB2 HIS 20 19.722 -5.984 14.439 161 2HB HIS 20 HB3 HIS 20 18.251 -5.297 15.090 162 HD2 HIS 20 HD2 HIS 20 21.713 -5.296 15.800 163 HE1 HIS 20 HE1 HIS 20 19.899 -4.589 19.581 164 HE2 HIS 20 HE2 HIS 20 22.085 -4.479 18.278 165 H LYS 21 H LYS 21 16.014 -6.535 15.885 166 HA LYS 21 HA LYS 21 16.000 -7.271 18.638 167 1HB LYS 21 HB2 LYS 21 13.516 -7.075 16.914 168 2HB LYS 21 HB3 LYS 21 13.614 -6.942 18.669 169 1HG LYS 21 HG2 LYS 21 14.556 -4.968 16.598 170 2HG LYS 21 HG3 LYS 21 13.261 -4.762 17.737 171 1HD LYS 21 HD2 LYS 21 14.620 -4.274 19.528 172 2HD LYS 21 HD3 LYS 21 16.008 -5.192 18.941 173 1HE LYS 21 HE2 LYS 21 15.066 -2.650 17.605 174 2HE LYS 21 HE3 LYS 21 16.336 -2.722 18.841 175 1HZ LYS 21 HZ1 LYS 21 17.252 -2.796 16.629 176 2HZ LYS 21 HZ2 LYS 21 17.581 -4.195 17.441 177 3HZ LYS 21 HZ3 LYS 21 16.415 -4.164 16.281 178 H LEU 22 H LEU 22 15.034 -9.251 15.806 179 HA LEU 22 HA LEU 22 14.005 -11.421 17.386 180 1HB LEU 22 HB2 LEU 22 15.565 -11.719 14.802 181 2HB LEU 22 HB3 LEU 22 14.507 -12.886 15.564 182 HG LEU 22 HG LEU 22 13.747 -10.322 14.151 183 1HD1 LEU 22 1HD1 LEU 22 12.906 -13.218 13.759 184 2HD1 LEU 22 2HD1 LEU 22 12.465 -11.840 12.730 185 3HD1 LEU 22 3HD1 LEU 22 14.150 -12.377 12.811 186 1HD2 LEU 22 1HD2 LEU 22 11.949 -12.074 15.871 187 2HD2 LEU 22 2HD2 LEU 22 12.373 -10.359 16.139 188 3HD2 LEU 22 3HD2 LEU 22 11.388 -10.809 14.755 189 H VAL 23 H VAL 23 17.312 -10.800 16.134 190 HA VAL 23 HA VAL 23 18.541 -13.012 17.371 191 HB VAL 23 HB VAL 23 19.774 -10.290 16.830 192 1HG1 VAL 23 1HG1 VAL 23 21.077 -12.978 17.469 193 2HG1 VAL 23 2HG1 VAL 23 21.937 -11.550 16.873 194 3HG1 VAL 23 3HG1 VAL 23 21.166 -11.511 18.459 195 1HG2 VAL 23 1HG2 VAL 23 19.833 -12.888 15.226 196 2HG2 VAL 23 2HG2 VAL 23 18.912 -11.436 14.789 197 3HG2 VAL 23 3HG2 VAL 23 20.674 -11.377 14.814 198 H GLN 24 H GLN 24 18.140 -9.681 18.746 199 HA GLN 24 HA GLN 24 19.297 -10.301 21.292 200 1HB GLN 24 HB2 GLN 24 17.043 -8.330 20.690 201 2HB GLN 24 HB3 GLN 24 18.055 -8.365 22.136 202 1HG GLN 24 HG2 GLN 24 18.928 -7.657 19.307 203 2HG GLN 24 HG3 GLN 24 18.813 -6.602 20.707 204 1HE2 GLN 24 2HE2 GLN 24 21.135 -7.516 18.849 205 2HE2 GLN 24 1HE2 GLN 24 22.373 -7.934 20.046 206 H ALA 25 H ALA 25 15.845 -10.465 20.271 207 HA ALA 25 HA ALA 25 14.847 -11.165 22.815 208 1HB ALA 25 HB1 ALA 25 13.456 -10.324 20.968 209 2HB ALA 25 HB2 ALA 25 13.707 -11.844 20.074 210 3HB ALA 25 HB3 ALA 25 12.834 -11.848 21.625 211 H ILE 26 H ILE 26 16.039 -13.256 20.152 212 HA ILE 26 HA ILE 26 15.497 -15.728 21.589 213 HB ILE 26 HB ILE 26 17.302 -15.081 19.224 214 1HG1 ILE 26 2HG1 ILE 26 14.543 -16.363 19.219 215 2HG1 ILE 26 3HG1 ILE 26 14.776 -14.639 18.958 216 1HG2 ILE 26 1HG2 ILE 26 17.134 -17.573 18.783 217 2HG2 ILE 26 2HG2 ILE 26 18.026 -17.186 20.244 218 3HG2 ILE 26 3HG2 ILE 26 16.346 -17.750 20.358 219 1HD1 ILE 26 1HD1 ILE 26 14.606 -15.616 16.805 220 2HD1 ILE 26 2HD1 ILE 26 16.294 -15.118 17.034 221 3HD1 ILE 26 3HD1 ILE 26 15.837 -16.835 17.154 222 H PHE 27 H PHE 27 18.287 -13.570 21.155 223 HA PHE 27 HA PHE 27 19.898 -14.931 23.240 224 1HB PHE 27 HB2 PHE 27 20.123 -16.028 20.962 225 2HB PHE 27 HB3 PHE 27 20.770 -14.517 20.358 226 HD1 PHE 27 HD1 PHE 27 23.010 -13.666 21.315 227 HD2 PHE 27 HD2 PHE 27 21.472 -17.646 21.979 228 HE1 PHE 27 HE1 PHE 27 25.285 -14.475 21.706 229 HE2 PHE 27 HE2 PHE 27 23.770 -18.479 22.250 230 HZ PHE 27 HZ PHE 27 25.699 -16.890 22.199 231 HA PRO 28 HA PRO 28 20.237 -10.292 23.291 232 1HB PRO 28 HB2 PRO 28 21.102 -11.011 26.051 233 2HB PRO 28 HB3 PRO 28 20.086 -9.638 25.535 234 1HG PRO 28 HG2 PRO 28 18.927 -11.824 26.662 235 2HG PRO 28 HG3 PRO 28 18.202 -11.101 25.195 236 1HD PRO 28 HD2 PRO 28 20.011 -13.526 25.371 237 2HD PRO 28 HD3 PRO 28 18.495 -13.311 24.447 238 H THR 29 H THR 29 22.161 -9.450 22.377 239 HA THR 29 HA THR 29 24.508 -11.138 22.409 240 HB THR 29 HB THR 29 25.400 -9.383 20.907 241 HG1 THR 29 HG1 THR 29 23.991 -7.742 22.002 242 1HG2 THR 29 1HG2 THR 29 22.574 -10.318 20.216 243 2HG2 THR 29 2HG2 THR 29 23.833 -9.806 19.071 244 3HG2 THR 29 3HG2 THR 29 24.053 -11.278 20.039 245 HA PRO 30 HA PRO 30 26.444 -9.049 25.987 246 1HB PRO 30 HB2 PRO 30 28.847 -10.188 24.549 247 2HB PRO 30 HB3 PRO 30 28.536 -10.110 26.307 248 1HG PRO 30 HG2 PRO 30 28.063 -12.425 24.989 249 2HG PRO 30 HG3 PRO 30 26.837 -11.810 26.138 250 1HD PRO 30 HD2 PRO 30 26.839 -11.571 23.121 251 2HD PRO 30 HD3 PRO 30 25.508 -12.016 24.231 252 H ASP 31 H ASP 31 27.644 -8.751 22.598 253 HA ASP 31 HA ASP 31 27.779 -5.845 22.969 254 1HB ASP 31 HB2 ASP 31 30.103 -6.843 23.398 255 2HB ASP 31 HB3 ASP 31 30.102 -7.363 21.714 256 HA PRO 32 HA PRO 32 25.760 -6.335 18.902 257 1HB PRO 32 HB2 PRO 32 27.202 -3.693 18.502 258 2HB PRO 32 HB3 PRO 32 25.565 -4.158 17.952 259 1HG PRO 32 HG2 PRO 32 25.828 -2.689 20.208 260 2HG PRO 32 HG3 PRO 32 24.739 -4.110 20.222 261 1HD PRO 32 HD2 PRO 32 27.560 -3.917 21.293 262 2HD PRO 32 HD3 PRO 32 26.115 -4.674 22.027 263 H ALA 33 H ALA 33 29.199 -5.254 19.172 264 HA ALA 33 HA ALA 33 30.047 -5.908 16.575 265 1HB ALA 33 HB1 ALA 33 32.294 -5.976 17.531 266 2HB ALA 33 HB2 ALA 33 31.376 -4.629 18.232 267 3HB ALA 33 HB3 ALA 33 31.629 -6.121 19.169 268 H ALA 34 H ALA 34 29.154 -8.089 19.183 269 HA ALA 34 HA ALA 34 30.704 -10.354 18.341 270 1HB ALA 34 HB1 ALA 34 29.662 -10.039 20.610 271 2HB ALA 34 HB2 ALA 34 28.073 -10.337 19.865 272 3HB ALA 34 HB3 ALA 34 29.309 -11.607 19.847 273 H LEU 35 H LEU 35 27.776 -8.866 17.064 274 HA LEU 35 HA LEU 35 26.322 -11.001 16.089 275 1HB LEU 35 HB2 LEU 35 26.877 -8.270 14.888 276 2HB LEU 35 HB3 LEU 35 25.699 -9.375 14.186 277 HG LEU 35 HG LEU 35 25.501 -8.502 17.096 278 1HD1 LEU 35 1HD1 LEU 35 23.873 -6.814 16.356 279 2HD1 LEU 35 2HD1 LEU 35 25.455 -6.483 15.634 280 3HD1 LEU 35 3HD1 LEU 35 24.179 -7.232 14.656 281 1HD2 LEU 35 1HD2 LEU 35 24.174 -10.494 16.494 282 2HD2 LEU 35 2HD2 LEU 35 23.126 -9.097 16.781 283 3HD2 LEU 35 3HD2 LEU 35 23.466 -9.618 15.119 284 H LYS 36 H LYS 36 29.300 -9.692 14.648 285 HA LYS 36 HA LYS 36 28.977 -11.215 12.199 286 1HB LYS 36 HB2 LYS 36 31.079 -10.275 11.539 287 2HB LYS 36 HB3 LYS 36 30.083 -9.028 12.296 288 1HG LYS 36 HG2 LYS 36 31.383 -9.431 14.451 289 2HG LYS 36 HG3 LYS 36 32.450 -10.488 13.519 290 1HD LYS 36 HD2 LYS 36 33.069 -8.605 12.045 291 2HD LYS 36 HD3 LYS 36 31.883 -7.563 12.849 292 1HE LYS 36 HE2 LYS 36 34.100 -7.046 13.700 293 2HE LYS 36 HE3 LYS 36 33.114 -7.754 14.989 294 1HZ LYS 36 HZ1 LYS 36 35.322 -8.654 14.927 295 2HZ LYS 36 HZ2 LYS 36 34.219 -9.834 14.608 296 3HZ LYS 36 HZ3 LYS 36 35.115 -9.189 13.382 297 H ASP 37 H ASP 37 29.849 -12.338 15.267 298 HA ASP 37 HA ASP 37 32.186 -13.859 14.713 299 1HB ASP 37 HB2 ASP 37 31.448 -13.318 16.975 300 2HB ASP 37 HB3 ASP 37 29.956 -14.239 16.748 301 H ARG 38 H ARG 38 32.512 -15.943 14.018 302 HA ARG 38 HA ARG 38 31.110 -17.224 12.130 303 1HB ARG 38 HB2 ARG 38 32.589 -18.692 14.343 304 2HB ARG 38 HB3 ARG 38 32.247 -19.279 12.716 305 1HG ARG 38 HG2 ARG 38 34.222 -17.123 13.539 306 2HG ARG 38 HG3 ARG 38 34.517 -18.677 12.771 307 1HD ARG 38 HD2 ARG 38 34.739 -17.257 10.940 308 2HD ARG 38 HD3 ARG 38 33.062 -17.743 10.793 309 HE ARG 38 HE ARG 38 32.374 -15.589 11.260 310 1HH1 ARG 38 1HH2 ARG 38 35.817 -15.882 12.030 311 2HH1 ARG 38 2HH2 ARG 38 36.029 -14.186 12.367 312 1HH2 ARG 38 2HH1 ARG 38 32.601 -13.404 11.870 313 2HH2 ARG 38 1HH1 ARG 38 34.181 -12.744 12.202 314 H ARG 39 H ARG 39 30.451 -17.701 15.608 315 HA ARG 39 HA ARG 39 28.456 -19.775 15.156 316 1HB ARG 39 HB2 ARG 39 28.992 -18.014 17.582 317 2HB ARG 39 HB3 ARG 39 27.946 -19.440 17.539 318 1HG ARG 39 HG2 ARG 39 29.879 -20.864 16.930 319 2HG ARG 39 HG3 ARG 39 30.946 -19.458 16.958 320 1HD ARG 39 HD2 ARG 39 29.397 -20.614 19.313 321 2HD ARG 39 HD3 ARG 39 31.136 -20.734 19.069 322 HE ARG 39 HE ARG 39 29.652 -18.545 20.206 323 1HH1 ARG 39 1HH2 ARG 39 32.575 -19.241 18.346 324 2HH1 ARG 39 2HH2 ARG 39 33.334 -17.712 18.707 325 1HH2 ARG 39 1HH1 ARG 39 30.675 -16.587 20.754 326 2HH2 ARG 39 2HH1 ARG 39 32.249 -16.199 20.110 327 H MET 40 H MET 40 28.345 -16.309 16.105 328 HA MET 40 HA MET 40 25.556 -16.051 16.271 329 1HB MET 40 HB2 MET 40 27.767 -14.043 15.646 330 2HB MET 40 HB3 MET 40 26.090 -13.582 15.899 331 1HG MET 40 HG2 MET 40 27.863 -14.995 17.928 332 2HG MET 40 HG3 MET 40 27.388 -13.298 17.948 333 1HE MET 40 HE1 MET 40 23.545 -13.544 18.756 334 2HE MET 40 HE2 MET 40 24.863 -12.501 18.163 335 3HE MET 40 HE3 MET 40 24.140 -13.732 17.096 336 H GLU 41 H GLU 41 27.695 -15.558 13.457 337 HA GLU 41 HA GLU 41 25.953 -14.478 11.630 338 1HB GLU 41 HB2 GLU 41 28.132 -16.559 11.274 339 2HB GLU 41 HB3 GLU 41 27.248 -15.871 9.898 340 1HG GLU 41 HG2 GLU 41 27.887 -13.596 10.535 341 2HG GLU 41 HG3 GLU 41 28.722 -14.189 11.966 342 H ASN 42 H ASN 42 25.913 -17.841 12.734 343 HA ASN 42 HA ASN 42 24.078 -18.814 10.718 344 1HB ASN 42 HB2 ASN 42 24.558 -19.842 13.550 345 2HB ASN 42 HB3 ASN 42 23.704 -20.678 12.261 346 1HD2 ASN 42 2HD2 ASN 42 26.810 -19.646 13.488 347 2HD2 ASN 42 1HD2 ASN 42 27.833 -20.411 12.300 348 H LEU 43 H LEU 43 23.679 -17.554 14.019 349 HA LEU 43 HA LEU 43 20.821 -17.911 14.102 350 1HB LEU 43 HB2 LEU 43 22.198 -17.810 16.133 351 2HB LEU 43 HB3 LEU 43 22.668 -16.146 15.758 352 HG LEU 43 HG LEU 43 20.322 -15.400 16.025 353 1HD1 LEU 43 1HD1 LEU 43 19.776 -18.300 16.814 354 2HD1 LEU 43 2HD1 LEU 43 18.665 -16.938 17.058 355 3HD1 LEU 43 3HD1 LEU 43 19.071 -17.445 15.419 356 1HD2 LEU 43 1HD2 LEU 43 20.189 -15.704 18.440 357 2HD2 LEU 43 2HD2 LEU 43 21.347 -17.050 18.373 358 3HD2 LEU 43 3HD2 LEU 43 21.871 -15.405 17.957 359 H VAL 44 H VAL 44 22.998 -15.196 13.308 360 HA VAL 44 HA VAL 44 21.037 -13.211 12.753 361 HB VAL 44 HB VAL 44 23.784 -13.738 11.593 362 1HG1 VAL 44 1HG1 VAL 44 22.590 -12.391 9.943 363 2HG1 VAL 44 2HG1 VAL 44 21.991 -11.304 11.219 364 3HG1 VAL 44 3HG1 VAL 44 23.722 -11.360 10.822 365 1HG2 VAL 44 1HG2 VAL 44 24.492 -11.922 13.070 366 2HG2 VAL 44 2HG2 VAL 44 22.820 -11.660 13.604 367 3HG2 VAL 44 3HG2 VAL 44 23.671 -13.151 14.040 368 H ALA 45 H ALA 45 22.555 -15.655 10.551 369 HA ALA 45 HA ALA 45 21.038 -15.049 8.268 370 1HB ALA 45 HB1 ALA 45 23.007 -16.523 8.254 371 2HB ALA 45 HB2 ALA 45 22.099 -17.772 9.130 372 3HB ALA 45 HB3 ALA 45 21.603 -17.300 7.496 373 H TYR 46 H TYR 46 20.289 -17.409 10.898 374 HA TYR 46 HA TYR 46 17.791 -18.265 9.899 375 1HB TYR 46 HB2 TYR 46 18.900 -19.318 11.825 376 2HB TYR 46 HB3 TYR 46 18.637 -17.881 12.805 377 HD1 TYR 46 HD1 TYR 46 16.458 -17.384 13.784 378 HD2 TYR 46 HD2 TYR 46 16.927 -20.686 11.051 379 HE1 TYR 46 HE1 TYR 46 14.124 -18.089 14.229 380 HE2 TYR 46 HE2 TYR 46 14.613 -21.411 11.529 381 HH TYR 46 HH TYR 46 12.679 -20.959 12.652 382 H ALA 47 H ALA 47 18.499 -15.497 12.093 383 HA ALA 47 HA ALA 47 15.832 -14.622 12.391 384 1HB ALA 47 HB1 ALA 47 18.435 -13.047 12.492 385 2HB ALA 47 HB2 ALA 47 16.856 -12.460 13.051 386 3HB ALA 47 HB3 ALA 47 17.616 -13.855 13.842 387 H LYS 48 H LYS 48 18.295 -13.628 9.963 388 HA LYS 48 HA LYS 48 16.685 -11.797 8.497 389 1HB LYS 48 HB2 LYS 48 18.951 -13.639 7.643 390 2HB LYS 48 HB3 LYS 48 18.174 -12.480 6.557 391 1HG LYS 48 HG2 LYS 48 18.780 -10.617 8.017 392 2HG LYS 48 HG3 LYS 48 19.527 -11.734 9.181 393 1HD LYS 48 HD2 LYS 48 21.185 -12.431 7.529 394 2HD LYS 48 HD3 LYS 48 20.407 -11.447 6.272 395 1HE LYS 48 HE2 LYS 48 20.924 -9.383 7.496 396 2HE LYS 48 HE3 LYS 48 21.605 -10.311 8.843 397 1HZ LYS 48 HZ1 LYS 48 22.652 -10.267 6.100 398 2HZ LYS 48 HZ2 LYS 48 23.294 -9.479 7.396 399 3HZ LYS 48 HZ3 LYS 48 23.284 -11.125 7.357 400 H LYS 49 H LYS 49 17.181 -15.318 7.965 401 HA LYS 49 HA LYS 49 15.464 -15.636 5.784 402 1HB LYS 49 HB2 LYS 49 17.079 -17.289 6.773 403 2HB LYS 49 HB3 LYS 49 15.900 -17.639 8.029 404 1HG LYS 49 HG2 LYS 49 14.271 -18.347 6.326 405 2HG LYS 49 HG3 LYS 49 15.429 -17.962 5.034 406 1HD LYS 49 HD2 LYS 49 16.999 -19.667 5.918 407 2HD LYS 49 HD3 LYS 49 15.912 -19.983 7.278 408 1HE LYS 49 HE2 LYS 49 15.640 -21.736 5.615 409 2HE LYS 49 HE3 LYS 49 14.153 -20.780 5.709 410 1HZ LYS 49 HZ1 LYS 49 16.254 -20.502 3.670 411 2HZ LYS 49 HZ2 LYS 49 14.792 -21.231 3.461 412 3HZ LYS 49 HZ3 LYS 49 14.868 -19.611 3.743 413 H VAL 50 H VAL 50 14.726 -16.105 9.237 414 HA VAL 50 HA VAL 50 11.994 -16.664 8.810 415 HB VAL 50 HB VAL 50 13.663 -16.844 10.983 416 1HG1 VAL 50 1HG1 VAL 50 11.544 -14.824 11.804 417 2HG1 VAL 50 2HG1 VAL 50 12.638 -15.724 12.866 418 3HG1 VAL 50 3HG1 VAL 50 13.304 -14.537 11.732 419 1HG2 VAL 50 1HG2 VAL 50 11.782 -18.312 10.408 420 2HG2 VAL 50 2HG2 VAL 50 11.776 -17.839 12.112 421 3HG2 VAL 50 3HG2 VAL 50 10.640 -17.070 10.979 422 H GLU 51 H GLU 51 13.551 -13.484 9.632 423 HA GLU 51 HA GLU 51 11.156 -12.012 9.683 424 1HB GLU 51 HB2 GLU 51 13.287 -11.185 10.466 425 2HB GLU 51 HB3 GLU 51 13.943 -11.184 8.828 426 1HG GLU 51 HG2 GLU 51 11.411 -9.624 9.494 427 2HG GLU 51 HG3 GLU 51 12.977 -8.957 9.931 428 H GLY 52 H GLY 52 13.268 -12.850 6.894 429 1HA GLY 52 HA2 GLY 52 11.799 -11.609 4.830 430 2HA GLY 52 HA3 GLY 52 12.739 -13.106 4.677 431 H ASP 53 H ASP 53 11.478 -14.946 6.127 432 HA ASP 53 HA ASP 53 9.326 -15.848 4.597 433 1HB ASP 53 HB2 ASP 53 10.675 -17.255 6.123 434 2HB ASP 53 HB3 ASP 53 9.892 -16.491 7.514 435 H MET 54 H MET 54 9.207 -14.153 7.769 436 HA MET 54 HA MET 54 6.363 -13.996 7.882 437 1HB MET 54 HB2 MET 54 8.457 -12.177 9.134 438 2HB MET 54 HB3 MET 54 6.734 -12.157 9.494 439 1HG MET 54 HG2 MET 54 8.738 -14.342 10.096 440 2HG MET 54 HG3 MET 54 7.705 -13.447 11.201 441 1HE MET 54 HE1 MET 54 6.577 -16.999 11.875 442 2HE MET 54 HE2 MET 54 8.225 -16.492 11.408 443 3HE MET 54 HE3 MET 54 7.246 -15.459 12.490 444 H TYR 55 H TYR 55 8.779 -11.685 6.545 445 HA TYR 55 HA TYR 55 6.995 -9.633 5.877 446 1HB TYR 55 HB2 TYR 55 9.592 -9.773 5.699 447 2HB TYR 55 HB3 TYR 55 9.318 -10.369 4.072 448 HD1 TYR 55 HD1 TYR 55 9.646 -7.487 6.167 449 HD2 TYR 55 HD2 TYR 55 7.864 -8.832 2.481 450 HE1 TYR 55 HE1 TYR 55 9.484 -5.155 5.401 451 HE2 TYR 55 HE2 TYR 55 7.715 -6.475 1.714 452 HH TYR 55 HH TYR 55 9.020 -3.743 3.651 453 H GLU 56 H GLU 56 7.993 -12.464 3.857 454 HA GLU 56 HA GLU 56 6.222 -11.837 1.706 455 1HB GLU 56 HB2 GLU 56 7.432 -14.487 2.573 456 2HB GLU 56 HB3 GLU 56 6.700 -14.144 1.001 457 1HG GLU 56 HG2 GLU 56 9.195 -12.801 2.117 458 2HG GLU 56 HG3 GLU 56 9.138 -14.011 0.855 459 H SER 57 H SER 57 5.774 -13.886 4.616 460 HA SER 57 HA SER 57 3.210 -14.896 3.837 461 1HB SER 57 HB2 SER 57 4.344 -14.463 6.636 462 2HB SER 57 HB3 SER 57 2.975 -15.498 6.202 463 HG SER 57 HG SER 57 5.694 -15.798 5.434 464 H ALA 58 H ALA 58 4.180 -11.921 5.508 465 HA ALA 58 HA ALA 58 1.686 -11.414 6.703 466 1HB ALA 58 HB1 ALA 58 4.097 -9.672 6.245 467 2HB ALA 58 HB2 ALA 58 2.676 -9.205 7.208 468 3HB ALA 58 HB3 ALA 58 3.649 -10.615 7.678 469 H ASN 59 H ASN 59 -0.093 -11.147 5.578 470 HA ASN 59 HA ASN 59 -0.574 -9.685 3.231 471 1HB ASN 59 HB2 ASN 59 -2.911 -9.466 4.092 472 2HB ASN 59 HB3 ASN 59 -2.272 -11.109 4.146 473 1HD2 ASN 59 2HD2 ASN 59 -2.562 -12.216 6.064 474 2HD2 ASN 59 1HD2 ASN 59 -2.799 -11.458 7.627 475 H SER 60 H SER 60 -0.105 -8.441 6.540 476 HA SER 60 HA SER 60 -0.224 -5.644 5.534 477 1HB SER 60 HB2 SER 60 -1.597 -5.033 7.474 478 2HB SER 60 HB3 SER 60 -2.453 -6.163 6.415 479 HG SER 60 HG SER 60 -2.134 -7.773 7.827 480 H ARG 61 H ARG 61 0.813 -4.157 7.000 481 HA ARG 61 HA ARG 61 3.190 -4.977 8.304 482 1HB ARG 61 HB2 ARG 61 2.878 -2.747 7.589 483 2HB ARG 61 HB3 ARG 61 1.386 -2.550 8.530 484 1HG ARG 61 HG2 ARG 61 2.645 -2.528 10.601 485 2HG ARG 61 HG3 ARG 61 4.157 -2.946 9.752 486 1HD ARG 61 HD2 ARG 61 4.150 -0.908 8.534 487 2HD ARG 61 HD3 ARG 61 2.475 -0.548 8.983 488 HE ARG 61 HE ARG 61 3.998 -0.684 11.374 489 1HH1 ARG 61 1HH2 ARG 61 3.375 1.395 8.519 490 2HH1 ARG 61 2HH2 ARG 61 3.811 2.844 9.408 491 1HH2 ARG 61 1HH1 ARG 61 4.345 1.281 12.465 492 2HH2 ARG 61 2HH1 ARG 61 4.386 2.806 11.550 493 H ASP 62 H ASP 62 -0.095 -4.330 9.561 494 HA ASP 62 HA ASP 62 0.280 -4.866 12.288 495 1HB ASP 62 HB2 ASP 62 -1.813 -4.014 11.383 496 2HB ASP 62 HB3 ASP 62 -2.092 -5.530 10.509 497 H GLU 63 H GLU 63 -0.590 -7.233 9.690 498 HA GLU 63 HA GLU 63 -0.390 -9.552 11.269 499 1HB GLU 63 HB2 GLU 63 -1.330 -9.407 8.968 500 2HB GLU 63 HB3 GLU 63 0.316 -9.244 8.329 501 1HG GLU 63 HG2 GLU 63 -0.315 -11.502 8.014 502 2HG GLU 63 HG3 GLU 63 0.832 -11.515 9.346 503 H TYR 64 H TYR 64 2.147 -7.999 9.242 504 HA TYR 64 HA TYR 64 4.297 -9.701 9.702 505 1HB TYR 64 HB2 TYR 64 4.345 -7.898 8.090 506 2HB TYR 64 HB3 TYR 64 4.192 -6.705 9.354 507 HD1 TYR 64 HD1 TYR 64 6.064 -5.567 10.060 508 HD2 TYR 64 HD2 TYR 64 6.504 -9.475 8.288 509 HE1 TYR 64 HE1 TYR 64 8.489 -5.194 9.836 510 HE2 TYR 64 HE2 TYR 64 8.944 -9.103 8.077 511 HH TYR 64 HH TYR 64 10.653 -7.537 8.246 512 H TYR 65 H TYR 65 3.377 -6.858 11.714 513 HA TYR 65 HA TYR 65 5.364 -7.377 13.723 514 1HB TYR 65 HB2 TYR 65 2.857 -5.711 13.551 515 2HB TYR 65 HB3 TYR 65 3.513 -6.072 15.143 516 HD1 TYR 65 HD1 TYR 65 4.155 -4.211 12.016 517 HD2 TYR 65 HD2 TYR 65 5.798 -5.494 15.779 518 HE1 TYR 65 HE1 TYR 65 6.132 -2.778 11.635 519 HE2 TYR 65 HE2 TYR 65 7.739 -3.992 15.444 520 HH TYR 65 HH TYR 65 8.273 -2.266 12.394 521 H HIS 66 H HIS 66 1.891 -8.316 13.560 522 HA HIS 66 HA HIS 66 1.771 -9.597 16.038 523 1HB HIS 66 HB2 HIS 66 -0.211 -9.129 14.727 524 2HB HIS 66 HB3 HIS 66 0.287 -10.290 13.490 525 HD2 HIS 66 HD2 HIS 66 -0.579 -12.720 13.785 526 HE1 HIS 66 HE1 HIS 66 -1.392 -12.684 17.965 527 HE2 HIS 66 HE2 HIS 66 -1.497 -14.078 15.835 528 H LEU 67 H LEU 67 2.353 -11.306 12.868 529 HA LEU 67 HA LEU 67 2.850 -13.717 14.333 530 1HB LEU 67 HB2 LEU 67 3.680 -14.704 12.176 531 2HB LEU 67 HB3 LEU 67 1.983 -14.298 12.395 532 HG LEU 67 HG LEU 67 2.124 -12.394 10.979 533 1HD1 LEU 67 1HD1 LEU 67 5.099 -13.009 10.901 534 2HD1 LEU 67 2HD1 LEU 67 4.301 -11.971 9.699 535 3HD1 LEU 67 3HD1 LEU 67 4.306 -11.520 11.413 536 1HD2 LEU 67 1HD2 LEU 67 3.534 -14.741 9.664 537 2HD2 LEU 67 2HD2 LEU 67 1.778 -14.581 9.901 538 3HD2 LEU 67 3HD2 LEU 67 2.637 -13.447 8.839 539 H LEU 68 H LEU 68 5.099 -11.147 13.393 540 HA LEU 68 HA LEU 68 7.424 -12.760 14.000 541 1HB LEU 68 HB2 LEU 68 6.930 -9.767 13.899 542 2HB LEU 68 HB3 LEU 68 8.457 -10.411 14.498 543 HG LEU 68 HG LEU 68 7.364 -11.163 11.768 544 1HD1 LEU 68 1HD1 LEU 68 7.753 -8.743 11.767 545 2HD1 LEU 68 2HD1 LEU 68 9.348 -8.969 12.521 546 3HD1 LEU 68 3HD1 LEU 68 9.054 -9.569 10.878 547 1HD2 LEU 68 1HD2 LEU 68 9.182 -12.674 12.797 548 2HD2 LEU 68 2HD2 LEU 68 9.681 -11.832 11.333 549 3HD2 LEU 68 3HD2 LEU 68 10.197 -11.233 12.911 550 H ALA 69 H ALA 69 5.539 -10.406 16.000 551 HA ALA 69 HA ALA 69 7.017 -10.851 18.401 552 1HB ALA 69 HB1 ALA 69 5.437 -8.991 18.117 553 2HB ALA 69 HB2 ALA 69 4.075 -10.130 18.025 554 3HB ALA 69 HB3 ALA 69 5.003 -9.969 19.533 555 H GLU 70 H GLU 70 4.090 -12.508 17.117 556 HA GLU 70 HA GLU 70 3.789 -14.334 19.230 557 1HB GLU 70 HB2 GLU 70 2.122 -13.846 17.437 558 2HB GLU 70 HB3 GLU 70 3.150 -14.714 16.282 559 1HG GLU 70 HG2 GLU 70 1.307 -16.102 17.034 560 2HG GLU 70 HG3 GLU 70 2.842 -16.812 17.545 561 H LYS 71 H LYS 71 5.762 -14.633 16.196 562 HA LYS 71 HA LYS 71 6.725 -17.240 16.647 563 1HB LYS 71 HB2 LYS 71 6.993 -16.249 14.569 564 2HB LYS 71 HB3 LYS 71 7.843 -14.843 15.202 565 1HG LYS 71 HG2 LYS 71 9.308 -16.324 13.971 566 2HG LYS 71 HG3 LYS 71 9.830 -16.138 15.643 567 1HD LYS 71 HD2 LYS 71 9.133 -18.317 16.235 568 2HD LYS 71 HD3 LYS 71 8.132 -18.504 14.778 569 1HE LYS 71 HE2 LYS 71 10.045 -18.683 13.360 570 2HE LYS 71 HE3 LYS 71 11.148 -18.103 14.621 571 1HZ LYS 71 HZ1 LYS 71 9.727 -20.667 14.616 572 2HZ LYS 71 HZ2 LYS 71 11.342 -20.408 14.363 573 3HZ LYS 71 HZ3 LYS 71 10.680 -20.110 15.845 574 H ILE 72 H ILE 72 8.180 -14.090 17.677 575 HA ILE 72 HA ILE 72 10.374 -15.147 19.142 576 HB ILE 72 HB ILE 72 8.649 -12.683 19.616 577 1HG1 ILE 72 2HG1 ILE 72 11.421 -12.979 18.413 578 2HG1 ILE 72 3HG1 ILE 72 9.913 -12.700 17.514 579 1HG2 ILE 72 1HG2 ILE 72 9.612 -13.251 21.752 580 2HG2 ILE 72 2HG2 ILE 72 11.215 -13.490 21.028 581 3HG2 ILE 72 3HG2 ILE 72 10.458 -11.871 21.104 582 1HD1 ILE 72 1HD1 ILE 72 10.818 -10.571 17.696 583 2HD1 ILE 72 2HD1 ILE 72 9.589 -10.611 18.964 584 3HD1 ILE 72 3HD1 ILE 72 11.314 -10.776 19.377 585 H TYR 73 H TYR 73 7.099 -14.341 20.273 586 HA TYR 73 HA TYR 73 7.323 -15.075 22.948 587 1HB TYR 73 HB2 TYR 73 5.533 -13.834 21.627 588 2HB TYR 73 HB3 TYR 73 4.843 -15.396 21.247 589 HD1 TYR 73 HD1 TYR 73 5.597 -16.311 24.381 590 HD2 TYR 73 HD2 TYR 73 3.501 -12.997 22.583 591 HE1 TYR 73 HE1 TYR 73 3.830 -16.509 26.067 592 HE2 TYR 73 HE2 TYR 73 1.755 -13.185 24.291 593 HH TYR 73 HH TYR 73 0.823 -14.570 25.917 594 H LYS 74 H LYS 74 6.176 -17.048 20.204 595 HA LYS 74 HA LYS 74 5.895 -19.528 21.526 596 1HB LYS 74 HB2 LYS 74 6.605 -18.831 18.659 597 2HB LYS 74 HB3 LYS 74 6.480 -20.502 19.190 598 1HG LYS 74 HG2 LYS 74 4.248 -18.502 19.649 599 2HG LYS 74 HG3 LYS 74 4.373 -19.466 18.175 600 1HD LYS 74 HD2 LYS 74 3.300 -21.161 19.200 601 2HD LYS 74 HD3 LYS 74 4.663 -21.344 20.296 602 1HE LYS 74 HE2 LYS 74 2.675 -21.110 21.615 603 2HE LYS 74 HE3 LYS 74 3.609 -19.622 21.825 604 1HZ LYS 74 HZ1 LYS 74 2.169 -18.558 20.251 605 2HZ LYS 74 HZ2 LYS 74 1.330 -19.959 20.000 606 3HZ LYS 74 HZ3 LYS 74 1.284 -19.217 21.470 607 H ILE 75 H ILE 75 8.924 -18.238 19.913 608 HA ILE 75 HA ILE 75 10.436 -20.549 20.590 609 HB ILE 75 HB ILE 75 11.413 -17.665 20.419 610 1HG1 ILE 75 2HG1 ILE 75 11.516 -19.965 18.387 611 2HG1 ILE 75 3HG1 ILE 75 10.308 -18.686 18.352 612 1HG2 ILE 75 1HG2 ILE 75 13.666 -18.697 20.136 613 2HG2 ILE 75 2HG2 ILE 75 13.008 -19.153 21.697 614 3HG2 ILE 75 3HG2 ILE 75 12.967 -20.310 20.365 615 1HD1 ILE 75 1HD1 ILE 75 12.021 -18.135 16.775 616 2HD1 ILE 75 2HD1 ILE 75 12.068 -16.970 18.109 617 3HD1 ILE 75 3HD1 ILE 75 13.292 -18.262 17.994 618 H GLN 76 H GLN 76 10.091 -17.491 22.412 619 HA GLN 76 HA GLN 76 11.596 -18.289 24.677 620 1HB GLN 76 HB2 GLN 76 9.474 -16.239 24.111 621 2HB GLN 76 HB3 GLN 76 10.028 -16.425 25.759 622 1HG GLN 76 HG2 GLN 76 11.806 -15.763 23.350 623 2HG GLN 76 HG3 GLN 76 11.267 -14.631 24.589 624 1HE2 GLN 76 2HE2 GLN 76 14.076 -14.968 24.045 625 2HE2 GLN 76 1HE2 GLN 76 14.751 -15.739 25.459 626 H LYS 77 H LYS 77 8.223 -19.027 23.866 627 HA LYS 77 HA LYS 77 7.752 -20.196 26.513 628 1HB LYS 77 HB2 LYS 77 6.229 -20.127 23.905 629 2HB LYS 77 HB3 LYS 77 5.674 -21.135 25.232 630 1HG LYS 77 HG2 LYS 77 6.270 -18.231 25.789 631 2HG LYS 77 HG3 LYS 77 4.809 -18.664 24.899 632 1HD LYS 77 HD2 LYS 77 4.293 -18.457 27.269 633 2HD LYS 77 HD3 LYS 77 4.022 -20.109 26.704 634 1HE LYS 77 HE2 LYS 77 6.079 -20.870 27.772 635 2HE LYS 77 HE3 LYS 77 6.531 -19.190 28.179 636 1HZ LYS 77 HZ1 LYS 77 5.587 -20.368 30.021 637 2HZ LYS 77 HZ2 LYS 77 4.588 -19.130 29.588 638 3HZ LYS 77 HZ3 LYS 77 4.205 -20.682 29.183 639 H GLU 78 H GLU 78 7.804 -21.605 23.280 640 HA GLU 78 HA GLU 78 7.757 -24.276 23.894 641 1HB GLU 78 HB2 GLU 78 9.105 -22.889 21.568 642 2HB GLU 78 HB3 GLU 78 8.776 -24.618 21.642 643 1HG GLU 78 HG2 GLU 78 6.619 -22.460 21.755 644 2HG GLU 78 HG3 GLU 78 7.078 -23.382 20.326 645 H LEU 79 H LEU 79 10.765 -22.286 23.518 646 HA LEU 79 HA LEU 79 12.501 -24.570 23.876 647 1HB LEU 79 HB2 LEU 79 12.847 -21.571 23.894 648 2HB LEU 79 HB3 LEU 79 14.149 -22.562 24.472 649 HG LEU 79 HG LEU 79 14.294 -21.876 22.075 650 1HD1 LEU 79 1HD1 LEU 79 15.198 -24.024 21.309 651 2HD1 LEU 79 2HD1 LEU 79 15.667 -23.683 22.982 652 3HD1 LEU 79 3HD1 LEU 79 14.390 -24.869 22.641 653 1HD2 LEU 79 1HD2 LEU 79 11.910 -22.292 21.437 654 2HD2 LEU 79 2HD2 LEU 79 13.081 -23.077 20.367 655 3HD2 LEU 79 3HD2 LEU 79 12.205 -24.039 21.568 656 H GLU 80 H GLU 80 11.834 -21.833 26.120 657 HA GLU 80 HA GLU 80 13.040 -22.911 28.373 658 1HB GLU 80 HB2 GLU 80 10.702 -21.025 27.988 659 2HB GLU 80 HB3 GLU 80 11.223 -21.493 29.604 660 1HG GLU 80 HG2 GLU 80 12.249 -19.353 28.869 661 2HG GLU 80 HG3 GLU 80 13.412 -20.598 29.324 662 H GLU 81 H GLU 81 9.642 -23.470 27.313 663 HA GLU 81 HA GLU 81 9.128 -25.084 29.684 664 1HB GLU 81 HB2 GLU 81 6.903 -25.132 29.036 665 2HB GLU 81 HB3 GLU 81 7.500 -23.540 28.549 666 1HG GLU 81 HG2 GLU 81 7.877 -24.691 26.208 667 2HG GLU 81 HG3 GLU 81 6.815 -25.948 26.828 668 H LYS 82 H LYS 82 10.862 -25.886 26.931 669 HA LYS 82 HA LYS 82 9.913 -28.219 25.924 670 1HB LYS 82 HB2 LYS 82 11.934 -27.106 25.191 671 2HB LYS 82 HB3 LYS 82 12.781 -27.548 26.688 672 1HG LYS 82 HG2 LYS 82 12.646 -29.936 26.062 673 2HG LYS 82 HG3 LYS 82 11.706 -29.507 24.614 674 1HD LYS 82 HD2 LYS 82 13.622 -28.158 23.784 675 2HD LYS 82 HD3 LYS 82 14.556 -28.595 25.229 676 1HE LYS 82 HE2 LYS 82 14.413 -30.997 24.601 677 2HE LYS 82 HE3 LYS 82 13.454 -30.572 23.171 678 1HZ LYS 82 HZ1 LYS 82 15.741 -30.883 22.628 679 2HZ LYS 82 HZ2 LYS 82 15.324 -29.309 22.376 680 3HZ LYS 82 HZ3 LYS 82 16.216 -29.724 23.699 681 H ARG 83 H ARG 83 11.688 -27.872 28.973 682 HA ARG 83 HA ARG 83 11.966 -30.503 29.846 683 1HB ARG 83 HB2 ARG 83 12.875 -28.510 30.954 684 2HB ARG 83 HB3 ARG 83 11.251 -28.010 31.449 685 1HG ARG 83 HG2 ARG 83 11.036 -30.057 32.844 686 2HG ARG 83 HG3 ARG 83 12.650 -30.580 32.336 687 1HD ARG 83 HD2 ARG 83 11.994 -27.998 33.825 688 2HD ARG 83 HD3 ARG 83 12.636 -29.478 34.570 689 HE ARG 83 HE ARG 83 14.408 -28.851 32.514 690 1HH1 ARG 83 1HH1 ARG 83 13.296 -27.313 35.493 691 2HH1 ARG 83 2HH1 ARG 83 14.777 -26.433 35.761 692 1HH2 ARG 83 1HH2 ARG 83 16.337 -27.702 32.836 693 2HH2 ARG 83 2HH2 ARG 83 16.542 -26.665 34.220 694 H ARG 84 H ARG 84 9.055 -28.419 30.004 695 HA ARG 84 HA ARG 84 7.488 -30.430 31.452 696 1HB ARG 84 HB2 ARG 84 6.615 -27.840 30.106 697 2HB ARG 84 HB3 ARG 84 5.642 -28.869 31.167 698 1HG ARG 84 HG2 ARG 84 7.318 -28.497 32.990 699 2HG ARG 84 HG3 ARG 84 8.193 -27.372 31.939 700 1HD ARG 84 HD2 ARG 84 6.178 -25.951 31.755 701 2HD ARG 84 HD3 ARG 84 5.294 -27.016 32.845 702 HE ARG 84 HE ARG 84 7.291 -25.006 33.499 703 1HH1 ARG 84 2HH1 ARG 84 5.838 -28.013 34.647 704 2HH1 ARG 84 1HH1 ARG 84 6.243 -27.742 36.320 705 1HH2 ARG 84 1HH2 ARG 84 7.859 -24.649 35.672 706 2HH2 ARG 84 2HH2 ARG 84 7.423 -25.797 36.908 707 H SER 85 H SER 85 7.778 -29.119 28.141 708 HA SER 85 HA SER 85 5.722 -30.549 26.917 709 1HB SER 85 HB2 SER 85 8.412 -29.989 25.644 710 2HB SER 85 HB3 SER 85 6.836 -30.119 24.843 711 HG SER 85 HG SER 85 6.208 -28.266 26.144 712 H ARG 86 H ARG 86 9.024 -31.767 27.711 713 HA ARG 86 HA ARG 86 8.884 -34.230 26.399 714 1HB ARG 86 HB2 ARG 86 10.275 -33.201 28.864 715 2HB ARG 86 HB3 ARG 86 10.110 -34.942 28.709 716 1HG ARG 86 HG2 ARG 86 12.142 -34.586 27.780 717 2HG ARG 86 HG3 ARG 86 11.091 -34.771 26.375 718 1HD ARG 86 HD2 ARG 86 12.051 -32.120 27.549 719 2HD ARG 86 HD3 ARG 86 12.856 -32.940 26.216 720 HE ARG 86 HE ARG 86 10.456 -31.339 26.154 721 1HH1 ARG 86 2HH2 ARG 86 12.075 -34.024 24.520 722 2HH1 ARG 86 1HH2 ARG 86 11.364 -33.709 22.960 723 1HH2 ARG 86 1HH1 ARG 86 9.537 -30.892 24.091 724 2HH2 ARG 86 2HH1 ARG 86 9.861 -31.923 22.729 725 H LEU 87 H LEU 87 6.993 -33.229 29.204 726 HA LEU 87 HA LEU 87 6.467 -35.890 30.188 727 1HB LEU 87 HB2 LEU 87 6.379 -33.651 31.412 728 2HB LEU 87 HB3 LEU 87 4.803 -33.387 30.667 729 HG LEU 87 HG LEU 87 5.579 -35.709 32.501 730 1HD1 LEU 87 1HD1 LEU 87 4.191 -34.534 34.172 731 2HD1 LEU 87 2HD1 LEU 87 5.537 -33.516 33.636 732 3HD1 LEU 87 3HD1 LEU 87 3.900 -33.217 33.016 733 1HD2 LEU 87 1HD2 LEU 87 3.077 -36.037 32.676 734 2HD2 LEU 87 2HD2 LEU 87 2.881 -34.930 31.302 735 3HD2 LEU 87 3HD2 LEU 87 3.744 -36.476 31.107 736 1H LYS 88 H1 LYS 88 7.055 -13.211 34.399 737 2H LYS 88 H2 LYS 88 6.987 -14.379 35.555 738 3H LYS 88 H3 LYS 88 5.825 -13.208 35.497 739 HA LYS 88 HA LYS 88 6.314 -15.226 33.430 740 1HB LYS 88 HB2 LYS 88 4.096 -15.022 35.516 741 2HB LYS 88 HB3 LYS 88 4.079 -16.123 34.120 742 1HG LYS 88 HG2 LYS 88 6.176 -17.178 34.961 743 2HG LYS 88 HG3 LYS 88 6.142 -16.095 36.370 744 1HD LYS 88 HD2 LYS 88 3.897 -16.991 36.991 745 2HD LYS 88 HD3 LYS 88 3.985 -18.120 35.623 746 1HE LYS 88 HE2 LYS 88 6.040 -19.135 36.601 747 2HE LYS 88 HE3 LYS 88 5.952 -18.003 37.965 748 1HZ LYS 88 HZ1 LYS 88 3.902 -19.988 37.273 749 2HZ LYS 88 HZ2 LYS 88 5.011 -20.130 38.483 750 3HZ LYS 88 HZ3 LYS 88 3.859 -18.955 38.558 751 H GLU 89 H GLU 89 3.188 -13.836 34.207 752 HA GLU 89 HA GLU 89 2.469 -12.938 31.732 753 1HB GLU 89 HB2 GLU 89 0.928 -11.462 32.795 754 2HB GLU 89 HB3 GLU 89 0.952 -13.020 33.637 755 1HG GLU 89 HG2 GLU 89 2.123 -10.357 34.570 756 2HG GLU 89 HG3 GLU 89 0.747 -11.221 35.246 757 H LYS 90 H LYS 90 4.285 -11.057 34.133 758 HA LYS 90 HA LYS 90 4.488 -8.622 32.744 759 1HB LYS 90 HB2 LYS 90 5.129 -9.157 35.125 760 2HB LYS 90 HB3 LYS 90 6.623 -9.882 34.535 761 1HG LYS 90 HG2 LYS 90 5.762 -6.968 34.148 762 2HG LYS 90 HG3 LYS 90 6.821 -7.577 35.420 763 1HD LYS 90 HD2 LYS 90 8.383 -8.429 33.540 764 2HD LYS 90 HD3 LYS 90 7.393 -7.456 32.435 765 1HE LYS 90 HE2 LYS 90 9.287 -6.142 33.025 766 2HE LYS 90 HE3 LYS 90 7.876 -5.425 33.815 767 1HZ LYS 90 HZ1 LYS 90 9.785 -5.573 35.250 768 2HZ LYS 90 HZ2 LYS 90 8.566 -6.507 35.841 769 3HZ LYS 90 HZ3 LYS 90 9.848 -7.209 35.077 770 H ARG 91 H ARG 91 6.539 -11.490 32.646 771 HA ARG 91 HA ARG 91 8.604 -10.542 30.889 772 1HB ARG 91 HB2 ARG 91 9.078 -12.324 32.313 773 2HB ARG 91 HB3 ARG 91 7.756 -13.322 31.740 774 1HG ARG 91 HG2 ARG 91 9.842 -12.484 29.723 775 2HG ARG 91 HG3 ARG 91 10.274 -13.653 30.974 776 1HD ARG 91 HD2 ARG 91 8.275 -15.029 30.351 777 2HD ARG 91 HD3 ARG 91 8.074 -14.025 28.892 778 HE ARG 91 HE ARG 91 10.726 -14.781 28.843 779 1HH1 ARG 91 1HH1 ARG 91 7.647 -16.542 28.945 780 2HH1 ARG 91 2HH1 ARG 91 8.346 -18.008 28.290 781 1HH2 ARG 91 1HH2 ARG 91 11.559 -16.715 27.837 782 2HH2 ARG 91 2HH2 ARG 91 10.526 -18.095 27.683 783 H ILE 92 H ILE 92 5.630 -12.470 30.424 784 HA ILE 92 HA ILE 92 5.826 -12.774 27.601 785 HB ILE 92 HB ILE 92 3.617 -12.916 29.649 786 1HG1 ILE 92 2HG1 ILE 92 3.265 -15.122 28.384 787 2HG1 ILE 92 3HG1 ILE 92 4.745 -14.740 27.494 788 1HG2 ILE 92 1HG2 ILE 92 3.072 -12.710 26.679 789 2HG2 ILE 92 2HG2 ILE 92 1.928 -13.353 27.886 790 3HG2 ILE 92 3HG2 ILE 92 2.421 -11.675 27.964 791 1HD1 ILE 92 1HD1 ILE 92 5.197 -16.270 29.333 792 2HD1 ILE 92 2HD1 ILE 92 5.980 -14.720 29.673 793 3HD1 ILE 92 3HD1 ILE 92 4.461 -15.152 30.496 794 H LYS 93 H LYS 93 4.232 -10.173 29.523 795 HA LYS 93 HA LYS 93 3.379 -8.838 27.161 796 1HB LYS 93 HB2 LYS 93 3.666 -7.861 30.011 797 2HB LYS 93 HB3 LYS 93 2.929 -6.888 28.732 798 1HG LYS 93 HG2 LYS 93 1.898 -9.697 29.218 799 2HG LYS 93 HG3 LYS 93 1.476 -8.413 30.341 800 1HD LYS 93 HD2 LYS 93 -0.278 -8.691 28.709 801 2HD LYS 93 HD3 LYS 93 0.442 -7.083 28.565 802 1HE LYS 93 HE2 LYS 93 1.604 -7.704 26.529 803 2HE LYS 93 HE3 LYS 93 1.193 -9.426 26.748 804 1HZ LYS 93 HZ1 LYS 93 -0.157 -8.350 25.138 805 2HZ LYS 93 HZ2 LYS 93 -1.077 -8.867 26.406 806 3HZ LYS 93 HZ3 LYS 93 -0.719 -7.263 26.245 807 H GLU 94 H GLU 94 6.264 -8.178 29.252 808 HA GLU 94 HA GLU 94 7.073 -5.972 27.612 809 1HB GLU 94 HB2 GLU 94 9.272 -6.143 28.563 810 2HB GLU 94 HB3 GLU 94 8.004 -6.162 29.794 811 1HG GLU 94 HG2 GLU 94 8.266 -8.569 30.064 812 2HG GLU 94 HG3 GLU 94 9.519 -8.658 28.850 813 H LEU 95 H LEU 95 7.772 -9.476 27.370 814 HA LEU 95 HA LEU 95 9.591 -9.375 25.226 815 1HB LEU 95 HB2 LEU 95 9.096 -11.376 26.565 816 2HB LEU 95 HB3 LEU 95 7.452 -11.433 25.919 817 HG LEU 95 HG LEU 95 8.391 -11.859 23.631 818 1HD1 LEU 95 1HD1 LEU 95 11.022 -12.009 25.200 819 2HD1 LEU 95 2HD1 LEU 95 10.806 -12.646 23.566 820 3HD1 LEU 95 3HD1 LEU 95 10.659 -10.908 23.851 821 1HD2 LEU 95 1HD2 LEU 95 8.980 -14.145 24.121 822 2HD2 LEU 95 2HD2 LEU 95 9.221 -13.777 25.846 823 3HD2 LEU 95 3HD2 LEU 95 7.603 -13.652 25.119 824 H GLU 96 H GLU 96 6.007 -9.733 25.139 825 HA GLU 96 HA GLU 96 5.730 -9.699 22.318 826 1HB GLU 96 HB2 GLU 96 4.047 -10.484 23.887 827 2HB GLU 96 HB3 GLU 96 3.809 -8.861 24.527 828 1HG GLU 96 HG2 GLU 96 2.957 -8.108 22.325 829 2HG GLU 96 HG3 GLU 96 3.244 -9.727 21.658 830 H LEU 97 H LEU 97 5.436 -7.065 24.707 831 HA LEU 97 HA LEU 97 4.776 -4.984 22.964 832 1HB LEU 97 HB2 LEU 97 4.422 -5.001 25.367 833 2HB LEU 97 HB3 LEU 97 6.155 -4.930 25.678 834 HG LEU 97 HG LEU 97 4.763 -2.849 26.009 835 1HD1 LEU 97 1HD1 LEU 97 7.176 -2.481 24.203 836 2HD1 LEU 97 2HD1 LEU 97 6.472 -1.310 25.322 837 3HD1 LEU 97 3HD1 LEU 97 7.213 -2.790 25.948 838 1HD2 LEU 97 1HD2 LEU 97 3.428 -3.000 23.918 839 2HD2 LEU 97 2HD2 LEU 97 4.205 -1.425 24.157 840 3HD2 LEU 97 3HD2 LEU 97 4.877 -2.565 22.983 841 H LEU 98 H LEU 98 8.027 -6.037 24.114 842 HA LEU 98 HA LEU 98 9.553 -3.934 23.213 843 1HB LEU 98 HB2 LEU 98 10.463 -5.771 24.507 844 2HB LEU 98 HB3 LEU 98 10.176 -6.909 23.186 845 HG LEU 98 HG LEU 98 11.874 -5.742 21.795 846 1HD1 LEU 98 1HD1 LEU 98 13.389 -4.085 22.914 847 2HD1 LEU 98 2HD1 LEU 98 11.758 -3.453 22.664 848 3HD1 LEU 98 3HD1 LEU 98 12.257 -4.007 24.279 849 1HD2 LEU 98 1HD2 LEU 98 13.826 -6.488 23.063 850 2HD2 LEU 98 2HD2 LEU 98 12.874 -6.513 24.564 851 3HD2 LEU 98 3HD2 LEU 98 12.495 -7.643 23.246 852 H LEU 99 H LEU 99 8.699 -6.844 21.255 853 HA LEU 99 HA LEU 99 10.024 -5.894 18.930 854 1HB LEU 99 HB2 LEU 99 9.312 -8.257 19.474 855 2HB LEU 99 HB3 LEU 99 7.677 -7.846 18.982 856 HG LEU 99 HG LEU 99 8.890 -9.040 17.261 857 1HD1 LEU 99 1HD1 LEU 99 8.438 -7.744 15.344 858 2HD1 LEU 99 2HD1 LEU 99 7.233 -7.283 16.562 859 3HD1 LEU 99 3HD1 LEU 99 8.623 -6.218 16.209 860 1HD2 LEU 99 1HD2 LEU 99 10.853 -6.721 17.031 861 2HD2 LEU 99 2HD2 LEU 99 11.202 -8.239 17.881 862 3HD2 LEU 99 3HD2 LEU 99 10.859 -8.248 16.140 863 H MET 100 H MET 100 6.557 -5.804 19.836 864 HA MET 100 HA MET 100 5.526 -4.332 17.672 865 1HB MET 100 HB2 MET 100 4.731 -4.339 20.602 866 2HB MET 100 HB3 MET 100 3.794 -3.565 19.316 867 1HG MET 100 HG2 MET 100 3.545 -5.691 18.144 868 2HG MET 100 HG3 MET 100 4.526 -6.523 19.359 869 1HE MET 100 HE1 MET 100 0.933 -7.987 19.875 870 2HE MET 100 HE2 MET 100 1.607 -7.434 18.325 871 3HE MET 100 HE3 MET 100 2.626 -8.350 19.464 872 H SER 101 H SER 101 7.248 -3.095 20.540 873 HA SER 101 HA SER 101 6.741 -0.350 19.968 874 1HB SER 101 HB2 SER 101 7.383 -1.211 22.192 875 2HB SER 101 HB3 SER 101 9.020 -1.543 21.584 876 HG SER 101 HG SER 101 8.977 0.785 20.966 877 H THR 102 H THR 102 8.821 -2.530 18.259 878 HA THR 102 HA THR 102 10.994 -0.800 17.737 879 HB THR 102 HB THR 102 9.870 -2.855 15.800 880 HG1 THR 102 HG1 THR 102 10.183 -3.841 17.776 881 1HG2 THR 102 1HG2 THR 102 12.275 -3.057 15.168 882 2HG2 THR 102 2HG2 THR 102 11.696 -1.399 14.915 883 3HG2 THR 102 3HG2 THR 102 12.671 -1.800 16.352 884 H GLU 103 H GLU 103 7.894 -1.219 15.914 885 HA GLU 103 HA GLU 103 8.477 0.920 14.064 886 1HB GLU 103 HB2 GLU 103 6.009 1.028 13.740 887 2HB GLU 103 HB3 GLU 103 6.758 -0.521 13.392 888 1HG GLU 103 HG2 GLU 103 5.948 -1.441 15.536 889 2HG GLU 103 HG3 GLU 103 5.166 0.105 15.921 890 H ASN 104 H ASN 104 6.845 0.826 17.239 891 HA ASN 104 HA ASN 104 6.030 3.516 17.331 892 1HB ASN 104 HB2 ASN 104 5.641 1.622 19.043 893 2HB ASN 104 HB3 ASN 104 7.162 2.139 19.786 894 1HD2 ASN 104 2HD2 ASN 104 6.752 5.098 19.314 895 2HD2 ASN 104 1HD2 ASN 104 5.437 5.495 20.405 896 H GLU 105 H GLU 105 9.241 2.113 17.937 897 HA GLU 105 HA GLU 105 10.523 4.598 18.655 898 1HB GLU 105 HB2 GLU 105 11.266 2.297 19.304 899 2HB GLU 105 HB3 GLU 105 11.722 1.991 17.627 900 1HG GLU 105 HG2 GLU 105 13.350 3.921 17.784 901 2HG GLU 105 HG3 GLU 105 12.922 4.072 19.491 902 H LEU 106 H LEU 106 10.627 2.606 15.645 903 HA LEU 106 HA LEU 106 12.277 4.606 14.326 904 1HB LEU 106 HB2 LEU 106 11.407 1.796 13.818 905 2HB LEU 106 HB3 LEU 106 11.680 2.760 12.384 906 HG LEU 106 HG LEU 106 13.941 3.414 13.249 907 1HD1 LEU 106 1HD1 LEU 106 13.277 1.350 15.402 908 2HD1 LEU 106 2HD1 LEU 106 14.897 2.034 15.095 909 3HD1 LEU 106 3HD1 LEU 106 13.592 3.080 15.653 910 1HD2 LEU 106 1HD2 LEU 106 13.652 1.541 11.652 911 2HD2 LEU 106 2HD2 LEU 106 15.027 1.296 12.743 912 3HD2 LEU 106 3HD2 LEU 106 13.516 0.414 13.017 913 H LYS 107 H LYS 107 8.824 3.863 14.046 914 HA LYS 107 HA LYS 107 8.533 4.572 11.379 915 1HB LYS 107 HB2 LYS 107 6.207 4.601 11.716 916 2HB LYS 107 HB3 LYS 107 6.906 3.338 12.712 917 1HG LYS 107 HG2 LYS 107 5.538 4.177 14.305 918 2HG LYS 107 HG3 LYS 107 6.819 5.356 14.556 919 1HD LYS 107 HD2 LYS 107 5.554 6.847 12.829 920 2HD LYS 107 HD3 LYS 107 4.296 5.614 12.839 921 1HE LYS 107 HE2 LYS 107 3.611 7.362 14.334 922 2HE LYS 107 HE3 LYS 107 4.033 5.952 15.322 923 1HZ LYS 107 HZ1 LYS 107 4.924 7.951 16.228 924 2HZ LYS 107 HZ2 LYS 107 6.174 7.009 15.719 925 3HZ LYS 107 HZ3 LYS 107 5.707 8.323 14.830 926 H GLY 108 H GLY 108 8.516 6.787 14.131 927 1HA GLY 108 HA2 GLY 108 8.512 9.063 14.274 928 2HA GLY 108 HA3 GLY 108 9.091 9.110 12.604 929 H GLN 109 H GLN 109 7.367 8.762 10.928 930 HA GLN 109 HA GLN 109 4.696 9.919 11.669 931 1HB GLN 109 HB2 GLN 109 6.509 10.640 9.332 932 2HB GLN 109 HB3 GLN 109 4.761 10.873 9.299 933 1HG GLN 109 HG2 GLN 109 5.574 12.939 9.931 934 2HG GLN 109 HG3 GLN 109 4.939 12.251 11.420 935 1HE2 GLN 109 2HE2 GLN 109 6.509 11.695 13.134 936 2HE2 GLN 109 1HE2 GLN 109 8.117 12.404 13.047 937 H GLN 110 H GLN 110 6.416 7.280 10.166 938 HA GLN 110 HA GLN 110 4.343 6.657 8.232 939 1HB GLN 110 HB2 GLN 110 6.632 4.970 9.323 940 2HB GLN 110 HB3 GLN 110 5.612 4.555 7.938 941 1HG GLN 110 HG2 GLN 110 7.445 6.989 8.114 942 2HG GLN 110 HG3 GLN 110 7.801 5.490 7.259 943 1HE2 GLN 110 2HE2 GLN 110 6.695 5.028 5.221 944 2HE2 GLN 110 1HE2 GLN 110 5.782 6.293 4.431 945 H ALA 111 H ALA 111 2.568 6.907 9.842 946 HA ALA 111 HA ALA 111 2.030 4.917 11.809 947 1HB ALA 111 HB1 ALA 111 0.076 6.513 10.102 948 2HB ALA 111 HB2 ALA 111 -0.310 5.663 11.615 949 3HB ALA 111 HB3 ALA 111 0.802 7.048 11.635 950 H LEU 112 H LEU 112 0.780 3.004 11.746 951 HA LEU 112 HA LEU 112 1.120 1.412 9.376 952 1HB LEU 112 HB2 LEU 112 0.171 -0.394 10.663 953 2HB LEU 112 HB3 LEU 112 1.356 0.508 11.595 954 HG LEU 112 HG LEU 112 -0.796 1.787 12.543 955 1HD1 LEU 112 1HD1 LEU 112 -2.684 0.205 12.850 956 2HD1 LEU 112 2HD1 LEU 112 -2.494 0.619 11.147 957 3HD1 LEU 112 3HD1 LEU 112 -1.911 -0.946 11.746 958 1HD2 LEU 112 1HD2 LEU 112 -0.822 0.151 14.394 959 2HD2 LEU 112 2HD2 LEU 112 0.059 -1.014 13.382 960 3HD2 LEU 112 3HD2 LEU 112 0.831 0.510 13.872 Start of MODEL 3 1 1H GLY 1 H1 GLY 1 -5.379 6.510 -3.029 2 2H GLY 1 H2 GLY 1 -5.561 7.398 -1.655 3 3H GLY 1 H3 GLY 1 -4.866 5.905 -1.584 4 1HA GLY 1 HA2 GLY 1 -7.133 5.861 -0.761 5 2HA GLY 1 HA3 GLY 1 -7.647 6.488 -2.335 6 H VAL 2 H VAL 2 -5.928 3.748 -0.813 7 HA VAL 2 HA VAL 2 -5.981 2.113 -3.178 8 HB VAL 2 HB VAL 2 -4.894 0.444 -1.744 9 1HG1 VAL 2 1HG1 VAL 2 -2.870 1.758 -1.271 10 2HG1 VAL 2 2HG1 VAL 2 -3.578 2.219 -2.832 11 3HG1 VAL 2 3HG1 VAL 2 -3.777 3.267 -1.414 12 1HG2 VAL 2 1HG2 VAL 2 -5.192 2.454 0.545 13 2HG2 VAL 2 2HG2 VAL 2 -6.058 0.911 0.433 14 3HG2 VAL 2 3HG2 VAL 2 -4.298 0.929 0.569 15 H ARG 3 H ARG 3 -8.557 2.704 -2.891 16 HA ARG 3 HA ARG 3 -10.259 1.334 -1.265 17 1HB ARG 3 HB2 ARG 3 -11.895 1.436 -3.220 18 2HB ARG 3 HB3 ARG 3 -11.201 2.957 -2.655 19 1HG ARG 3 HG2 ARG 3 -9.899 3.282 -4.536 20 2HG ARG 3 HG3 ARG 3 -9.738 1.567 -4.878 21 1HD ARG 3 HD2 ARG 3 -12.215 1.543 -5.489 22 2HD ARG 3 HD3 ARG 3 -12.153 3.303 -5.486 23 HE ARG 3 HE ARG 3 -11.070 1.439 -7.439 24 1HH1 ARG 3 2HH2 ARG 3 -10.687 4.712 -6.141 25 2HH1 ARG 3 1HH2 ARG 3 -9.929 5.308 -7.595 26 1HH2 ARG 3 1HH1 ARG 3 -9.815 2.151 -9.177 27 2HH2 ARG 3 2HH1 ARG 3 -9.319 3.826 -9.266 28 H LYS 4 H LYS 4 -8.846 -0.091 -4.201 29 HA LYS 4 HA LYS 4 -10.399 -2.596 -3.788 30 1HB LYS 4 HB2 LYS 4 -8.504 -1.847 -6.011 31 2HB LYS 4 HB3 LYS 4 -9.646 -3.205 -5.947 32 1HG LYS 4 HG2 LYS 4 -10.524 -0.292 -6.017 33 2HG LYS 4 HG3 LYS 4 -10.309 -1.323 -7.431 34 1HD LYS 4 HD2 LYS 4 -11.920 -2.980 -6.359 35 2HD LYS 4 HD3 LYS 4 -12.294 -1.740 -5.162 36 1HE LYS 4 HE2 LYS 4 -13.071 -0.227 -6.924 37 2HE LYS 4 HE3 LYS 4 -12.517 -1.337 -8.178 38 1HZ LYS 4 HZ1 LYS 4 -14.854 -1.496 -7.816 39 2HZ LYS 4 HZ2 LYS 4 -14.141 -2.927 -7.423 40 3HZ LYS 4 HZ3 LYS 4 -14.642 -1.903 -6.234 41 H GLY 5 H GLY 5 -7.625 -1.507 -2.361 42 1HA GLY 5 HA2 GLY 5 -5.789 -2.551 -1.499 43 2HA GLY 5 HA3 GLY 5 -6.404 -4.117 -2.036 44 H TRP 6 H TRP 6 -6.282 -4.401 -4.496 45 HA TRP 6 HA TRP 6 -3.608 -4.590 -5.279 46 1HB TRP 6 HB2 TRP 6 -4.395 -5.276 -7.421 47 2HB TRP 6 HB3 TRP 6 -5.525 -5.883 -6.224 48 HD1 TRP 6 HD1 TRP 6 -8.009 -5.052 -6.389 49 HE1 TRP 6 HE1 TRP 6 -9.350 -3.609 -8.062 50 HE3 TRP 6 HE3 TRP 6 -4.152 -3.232 -9.245 51 HZ2 TRP 6 HZ2 TRP 6 -8.807 -1.705 -10.092 52 HZ3 TRP 6 HZ3 TRP 6 -4.640 -1.619 -11.081 53 HH2 TRP 6 HH2 TRP 6 -6.957 -0.892 -11.523 54 H HIS 7 H HIS 7 -5.882 -2.039 -5.976 55 HA HIS 7 HA HIS 7 -4.772 -0.276 -7.721 56 1HB HIS 7 HB2 HIS 7 -6.825 0.118 -6.593 57 2HB HIS 7 HB3 HIS 7 -6.057 0.133 -4.998 58 HD2 HIS 7 HD2 HIS 7 -7.676 2.445 -7.111 59 HE1 HIS 7 HE1 HIS 7 -4.660 4.790 -5.241 60 HE2 HIS 7 HE2 HIS 7 -6.856 4.864 -6.533 61 H GLU 8 H GLU 8 -3.598 -0.842 -4.373 62 HA GLU 8 HA GLU 8 -1.765 1.265 -4.228 63 1HB GLU 8 HB2 GLU 8 -0.969 0.209 -2.283 64 2HB GLU 8 HB3 GLU 8 -2.654 -0.308 -2.414 65 1HG GLU 8 HG2 GLU 8 -1.713 -2.425 -3.601 66 2HG GLU 8 HG3 GLU 8 -0.137 -1.888 -2.982 67 H HIS 9 H HIS 9 -1.394 -1.892 -5.809 68 HA HIS 9 HA HIS 9 1.497 -1.702 -6.077 69 1HB HIS 9 HB2 HIS 9 -0.393 -3.415 -7.729 70 2HB HIS 9 HB3 HIS 9 1.316 -3.662 -7.360 71 HD2 HIS 9 HD2 HIS 9 1.161 -3.423 -4.155 72 HE1 HIS 9 HE1 HIS 9 -1.739 -6.524 -4.367 73 HE2 HIS 9 HE2 HIS 9 -0.202 -5.212 -2.815 74 H VAL 10 H VAL 10 -1.377 -1.111 -8.052 75 HA VAL 10 HA VAL 10 0.192 -0.475 -10.440 76 HB VAL 10 HB VAL 10 -2.794 -0.475 -9.928 77 1HG1 VAL 10 1HG1 VAL 10 -1.194 -0.331 -12.521 78 2HG1 VAL 10 2HG1 VAL 10 -2.962 -0.423 -12.377 79 3HG1 VAL 10 3HG1 VAL 10 -2.103 1.026 -11.842 80 1HG2 VAL 10 1HG2 VAL 10 -0.864 -2.475 -11.206 81 2HG2 VAL 10 2HG2 VAL 10 -1.839 -2.728 -9.746 82 3HG2 VAL 10 3HG2 VAL 10 -2.620 -2.598 -11.328 83 H THR 11 H THR 11 1.397 1.243 -9.800 84 HA THR 11 HA THR 11 0.387 3.652 -8.649 85 HB THR 11 HB THR 11 2.638 4.561 -9.302 86 HG1 THR 11 HG1 THR 11 4.061 3.030 -10.290 87 1HG2 THR 11 1HG2 THR 11 2.354 3.292 -7.215 88 2HG2 THR 11 2HG2 THR 11 2.800 1.791 -8.060 89 3HG2 THR 11 3HG2 THR 11 3.976 3.114 -7.912 90 H GLN 12 H GLN 12 0.635 5.771 -9.606 91 HA GLN 12 HA GLN 12 -0.888 6.273 -11.865 92 1HB GLN 12 HB2 GLN 12 -0.350 7.931 -10.131 93 2HB GLN 12 HB3 GLN 12 1.336 7.962 -10.671 94 1HG GLN 12 HG2 GLN 12 0.034 9.879 -11.529 95 2HG GLN 12 HG3 GLN 12 0.674 8.881 -12.837 96 1HE2 GLN 12 2HE2 GLN 12 -0.879 8.990 -14.524 97 2HE2 GLN 12 1HE2 GLN 12 -2.586 8.715 -14.231 98 H ASP 13 H ASP 13 2.669 5.772 -11.667 99 HA ASP 13 HA ASP 13 3.286 6.440 -14.340 100 1HB ASP 13 HB2 ASP 13 4.551 4.240 -12.620 101 2HB ASP 13 HB3 ASP 13 5.302 5.113 -13.959 102 H LEU 14 H LEU 14 2.309 3.230 -12.946 103 HA LEU 14 HA LEU 14 2.426 1.941 -15.506 104 1HB LEU 14 HB2 LEU 14 2.630 0.639 -13.504 105 2HB LEU 14 HB3 LEU 14 1.039 1.148 -12.934 106 HG LEU 14 HG LEU 14 -0.076 -0.101 -14.631 107 1HD1 LEU 14 1HD1 LEU 14 1.529 0.177 -16.568 108 2HD1 LEU 14 2HD1 LEU 14 2.593 -1.013 -15.800 109 3HD1 LEU 14 3HD1 LEU 14 0.977 -1.471 -16.326 110 1HD2 LEU 14 1HD2 LEU 14 0.414 -2.312 -13.928 111 2HD2 LEU 14 2HD2 LEU 14 2.137 -1.970 -13.692 112 3HD2 LEU 14 3HD2 LEU 14 0.938 -1.300 -12.574 113 H ARG 15 H ARG 15 -0.296 3.457 -13.655 114 HA ARG 15 HA ARG 15 -2.373 3.014 -15.518 115 1HB ARG 15 HB2 ARG 15 -1.796 5.593 -13.997 116 2HB ARG 15 HB3 ARG 15 -3.272 5.210 -14.864 117 1HG ARG 15 HG2 ARG 15 -3.676 3.295 -13.291 118 2HG ARG 15 HG3 ARG 15 -2.219 3.748 -12.400 119 1HD ARG 15 HD2 ARG 15 -4.142 4.783 -11.314 120 2HD ARG 15 HD3 ARG 15 -3.154 6.034 -12.050 121 HE ARG 15 HE ARG 15 -5.442 4.893 -13.570 122 1HH1 ARG 15 1HH1 ARG 15 -4.096 7.811 -11.936 123 2HH1 ARG 15 2HH1 ARG 15 -5.382 8.814 -12.525 124 1HH2 ARG 15 1HH2 ARG 15 -6.735 6.348 -14.640 125 2HH2 ARG 15 2HH2 ARG 15 -6.908 7.996 -14.087 126 H SER 16 H SER 16 0.001 5.669 -15.484 127 HA SER 16 HA SER 16 -0.830 7.035 -17.808 128 1HB SER 16 HB2 SER 16 1.880 6.891 -16.447 129 2HB SER 16 HB3 SER 16 1.437 8.098 -17.636 130 HG SER 16 HG SER 16 0.299 7.619 -15.094 131 H HIS 17 H HIS 17 1.631 4.460 -17.372 132 HA HIS 17 HA HIS 17 2.483 4.390 -20.082 133 1HB HIS 17 HB2 HIS 17 3.526 3.412 -17.925 134 2HB HIS 17 HB3 HIS 17 2.517 1.994 -18.224 135 HD2 HIS 17 HD2 HIS 17 2.979 0.955 -20.917 136 HE1 HIS 17 HE1 HIS 17 7.042 2.231 -20.891 137 HE2 HIS 17 HE2 HIS 17 5.355 0.707 -22.022 138 H LEU 18 H LEU 18 -0.051 2.504 -18.341 139 HA LEU 18 HA LEU 18 -0.855 0.957 -20.618 140 1HB LEU 18 HB2 LEU 18 -2.267 1.767 -18.064 141 2HB LEU 18 HB3 LEU 18 -3.000 0.680 -19.255 142 HG LEU 18 HG LEU 18 -0.275 0.145 -17.998 143 1HD1 LEU 18 1HD1 LEU 18 -1.462 -1.389 -16.456 144 2HD1 LEU 18 2HD1 LEU 18 -1.942 0.301 -16.210 145 3HD1 LEU 18 3HD1 LEU 18 -3.016 -0.810 -17.095 146 1HD2 LEU 18 1HD2 LEU 18 -0.766 -2.190 -18.601 147 2HD2 LEU 18 2HD2 LEU 18 -2.283 -1.691 -19.373 148 3HD2 LEU 18 3HD2 LEU 18 -0.723 -1.177 -20.046 149 H VAL 19 H VAL 19 -2.098 4.080 -19.345 150 HA VAL 19 HA VAL 19 -4.000 4.642 -21.338 151 HB VAL 19 HB VAL 19 -2.158 6.353 -19.667 152 1HG1 VAL 19 1HG1 VAL 19 -2.513 7.686 -21.734 153 2HG1 VAL 19 2HG1 VAL 19 -4.270 7.484 -21.523 154 3HG1 VAL 19 3HG1 VAL 19 -3.318 8.359 -20.319 155 1HG2 VAL 19 1HG2 VAL 19 -4.070 5.233 -18.569 156 2HG2 VAL 19 2HG2 VAL 19 -4.273 6.985 -18.578 157 3HG2 VAL 19 3HG2 VAL 19 -5.178 5.979 -19.732 158 H HIS 20 H HIS 20 -0.426 5.260 -21.434 159 HA HIS 20 HA HIS 20 -0.389 6.184 -24.095 160 1HB HIS 20 HB2 HIS 20 1.525 6.230 -22.478 161 2HB HIS 20 HB3 HIS 20 1.776 4.514 -22.791 162 HD2 HIS 20 HD2 HIS 20 4.235 5.336 -23.538 163 HE1 HIS 20 HE1 HIS 20 3.059 7.071 -27.237 164 HE2 HIS 20 HE2 HIS 20 5.043 6.306 -25.845 165 H LYS 21 H LYS 21 -0.042 2.751 -22.945 166 HA LYS 21 HA LYS 21 0.031 1.532 -25.489 167 1HB LYS 21 HB2 LYS 21 -1.337 0.425 -23.012 168 2HB LYS 21 HB3 LYS 21 -0.989 -0.457 -24.486 169 1HG LYS 21 HG2 LYS 21 1.076 0.663 -22.566 170 2HG LYS 21 HG3 LYS 21 0.583 -1.010 -22.782 171 1HD LYS 21 HD2 LYS 21 1.349 -0.818 -25.236 172 2HD LYS 21 HD3 LYS 21 2.082 0.730 -24.776 173 1HE LYS 21 HE2 LYS 21 3.801 -0.933 -24.671 174 2HE LYS 21 HE3 LYS 21 3.404 -0.490 -23.003 175 1HZ LYS 21 HZ1 LYS 21 2.373 -2.862 -24.408 176 2HZ LYS 21 HZ2 LYS 21 3.635 -2.860 -23.352 177 3HZ LYS 21 HZ3 LYS 21 2.127 -2.480 -22.822 178 H LEU 22 H LEU 22 -2.900 2.573 -23.660 179 HA LEU 22 HA LEU 22 -4.782 1.663 -25.602 180 1HB LEU 22 HB2 LEU 22 -4.950 4.099 -23.818 181 2HB LEU 22 HB3 LEU 22 -6.280 3.418 -24.735 182 HG LEU 22 HG LEU 22 -4.839 2.088 -22.407 183 1HD1 LEU 22 1HD1 LEU 22 -7.058 2.396 -21.320 184 2HD1 LEU 22 2HD1 LEU 22 -6.328 3.946 -21.790 185 3HD1 LEU 22 3HD1 LEU 22 -7.612 3.231 -22.787 186 1HD2 LEU 22 1HD2 LEU 22 -6.674 0.372 -22.614 187 2HD2 LEU 22 2HD2 LEU 22 -7.182 1.129 -24.137 188 3HD2 LEU 22 3HD2 LEU 22 -5.583 0.371 -23.995 189 H VAL 23 H VAL 23 -3.158 4.899 -25.351 190 HA VAL 23 HA VAL 23 -4.304 5.937 -27.734 191 HB VAL 23 HB VAL 23 -1.554 6.532 -26.605 192 1HG1 VAL 23 1HG1 VAL 23 -3.251 8.067 -28.643 193 2HG1 VAL 23 2HG1 VAL 23 -1.755 8.651 -27.893 194 3HG1 VAL 23 3HG1 VAL 23 -1.707 7.262 -28.976 195 1HG2 VAL 23 1HG2 VAL 23 -2.691 8.545 -25.689 196 2HG2 VAL 23 2HG2 VAL 23 -4.249 7.932 -26.281 197 3HG2 VAL 23 3HG2 VAL 23 -3.371 7.067 -25.007 198 H GLN 24 H GLN 24 -1.275 4.015 -27.349 199 HA GLN 24 HA GLN 24 -0.649 3.942 -30.147 200 1HB GLN 24 HB2 GLN 24 -0.014 1.823 -28.034 201 2HB GLN 24 HB3 GLN 24 0.751 2.029 -29.612 202 1HG GLN 24 HG2 GLN 24 1.105 3.727 -27.131 203 2HG GLN 24 HG3 GLN 24 2.303 2.978 -28.167 204 1HE2 GLN 24 2HE2 GLN 24 0.624 5.905 -27.494 205 2HE2 GLN 24 1HE2 GLN 24 0.921 6.728 -29.031 206 H ALA 25 H ALA 25 -2.697 1.729 -28.210 207 HA ALA 25 HA ALA 25 -3.215 -0.100 -30.333 208 1HB ALA 25 HB1 ALA 25 -3.644 -0.661 -28.019 209 2HB ALA 25 HB2 ALA 25 -4.871 0.621 -27.880 210 3HB ALA 25 HB3 ALA 25 -5.153 -0.756 -28.957 211 H ILE 26 H ILE 26 -4.995 2.841 -29.269 212 HA ILE 26 HA ILE 26 -7.041 2.695 -31.272 213 HB ILE 26 HB ILE 26 -5.868 4.998 -29.657 214 1HG1 ILE 26 2HG1 ILE 26 -8.505 3.556 -29.288 215 2HG1 ILE 26 3HG1 ILE 26 -7.050 3.009 -28.459 216 1HG2 ILE 26 1HG2 ILE 26 -7.994 6.210 -30.206 217 2HG2 ILE 26 2HG2 ILE 26 -7.004 5.935 -31.626 218 3HG2 ILE 26 3HG2 ILE 26 -8.420 4.903 -31.327 219 1HD1 ILE 26 1HD1 ILE 26 -6.810 5.266 -27.408 220 2HD1 ILE 26 2HD1 ILE 26 -8.393 5.713 -28.086 221 3HD1 ILE 26 3HD1 ILE 26 -8.268 4.378 -26.933 222 H PHE 27 H PHE 27 -3.787 4.152 -31.186 223 HA PHE 27 HA PHE 27 -3.694 4.588 -34.095 224 1HB PHE 27 HB2 PHE 27 -5.147 6.384 -33.228 225 2HB PHE 27 HB3 PHE 27 -3.905 6.819 -32.062 226 HD1 PHE 27 HD1 PHE 27 -1.995 8.158 -32.724 227 HD2 PHE 27 HD2 PHE 27 -4.930 6.898 -35.628 228 HE1 PHE 27 HE1 PHE 27 -1.282 9.960 -34.209 229 HE2 PHE 27 HE2 PHE 27 -4.137 8.667 -37.174 230 HZ PHE 27 HZ PHE 27 -2.295 10.192 -36.495 231 HA PRO 28 HA PRO 28 0.373 3.671 -32.073 232 1HB PRO 28 HB2 PRO 28 1.051 3.074 -34.909 233 2HB PRO 28 HB3 PRO 28 1.473 2.160 -33.442 234 1HG PRO 28 HG2 PRO 28 -0.534 1.300 -35.073 235 2HG PRO 28 HG3 PRO 28 -0.727 1.246 -33.298 236 1HD PRO 28 HD2 PRO 28 -1.815 3.306 -35.227 237 2HD PRO 28 HD3 PRO 28 -2.616 2.513 -33.840 238 H THR 29 H THR 29 1.287 5.591 -31.506 239 HA THR 29 HA THR 29 1.174 7.877 -33.194 240 HB THR 29 HB THR 29 2.597 7.576 -30.568 241 HG1 THR 29 HG1 THR 29 -0.017 7.194 -31.153 242 1HG2 THR 29 1HG2 THR 29 1.925 9.928 -30.254 243 2HG2 THR 29 2HG2 THR 29 2.953 9.736 -31.682 244 3HG2 THR 29 3HG2 THR 29 1.197 9.944 -31.874 245 HA PRO 30 HA PRO 30 5.175 7.154 -35.238 246 1HB PRO 30 HB2 PRO 30 4.965 10.158 -35.539 247 2HB PRO 30 HB3 PRO 30 5.487 8.949 -36.739 248 1HG PRO 30 HG2 PRO 30 2.957 9.939 -36.810 249 2HG PRO 30 HG3 PRO 30 3.237 8.187 -37.038 250 1HD PRO 30 HD2 PRO 30 2.300 9.600 -34.521 251 2HD PRO 30 HD3 PRO 30 1.753 8.065 -35.264 252 H ASP 31 H ASP 31 5.011 10.207 -33.268 253 HA ASP 31 HA ASP 31 7.639 9.553 -32.032 254 1HB ASP 31 HB2 ASP 31 6.559 12.118 -33.269 255 2HB ASP 31 HB3 ASP 31 7.967 12.038 -32.218 256 HA PRO 32 HA PRO 32 5.142 10.092 -28.252 257 1HB PRO 32 HB2 PRO 32 7.892 11.043 -27.374 258 2HB PRO 32 HB3 PRO 32 6.696 10.105 -26.429 259 1HG PRO 32 HG2 PRO 32 8.708 8.789 -27.664 260 2HG PRO 32 HG3 PRO 32 7.040 8.165 -27.830 261 1HD PRO 32 HD2 PRO 32 8.632 9.796 -29.814 262 2HD PRO 32 HD3 PRO 32 7.558 8.391 -30.095 263 H ALA 33 H ALA 33 7.441 12.657 -29.290 264 HA ALA 33 HA ALA 33 6.443 14.849 -27.930 265 1HB ALA 33 HB1 ALA 33 7.460 14.699 -30.797 266 2HB ALA 33 HB2 ALA 33 7.338 16.182 -29.822 267 3HB ALA 33 HB3 ALA 33 8.445 14.884 -29.328 268 H ALA 34 H ALA 34 4.956 13.235 -30.711 269 HA ALA 34 HA ALA 34 3.143 15.252 -31.528 270 1HB ALA 34 HB1 ALA 34 3.644 13.155 -32.781 271 2HB ALA 34 HB2 ALA 34 2.728 12.240 -31.560 272 3HB ALA 34 HB3 ALA 34 1.904 13.440 -32.573 273 H LEU 35 H LEU 35 3.087 13.140 -28.684 274 HA LEU 35 HA LEU 35 0.331 13.257 -28.036 275 1HB LEU 35 HB2 LEU 35 2.747 13.209 -26.211 276 2HB LEU 35 HB3 LEU 35 1.096 12.842 -25.716 277 HG LEU 35 HG LEU 35 2.583 11.230 -27.849 278 1HD1 LEU 35 1HD1 LEU 35 2.209 10.618 -24.891 279 2HD1 LEU 35 2HD1 LEU 35 2.967 9.563 -26.102 280 3HD1 LEU 35 3HD1 LEU 35 3.739 11.094 -25.658 281 1HD2 LEU 35 1HD2 LEU 35 0.079 10.581 -26.256 282 2HD2 LEU 35 2HD2 LEU 35 0.123 11.031 -27.976 283 3HD2 LEU 35 3HD2 LEU 35 0.895 9.535 -27.438 284 H LYS 36 H LYS 36 2.770 15.815 -27.943 285 HA LYS 36 HA LYS 36 1.363 17.501 -26.079 286 1HB LYS 36 HB2 LYS 36 3.439 18.125 -28.199 287 2HB LYS 36 HB3 LYS 36 2.899 19.216 -26.920 288 1HG LYS 36 HG2 LYS 36 3.688 17.639 -25.189 289 2HG LYS 36 HG3 LYS 36 4.279 16.547 -26.455 290 1HD LYS 36 HD2 LYS 36 5.793 18.312 -27.300 291 2HD LYS 36 HD3 LYS 36 5.210 19.421 -26.041 292 1HE LYS 36 HE2 LYS 36 6.029 17.840 -24.286 293 2HE LYS 36 HE3 LYS 36 6.640 16.762 -25.556 294 1HZ LYS 36 HZ1 LYS 36 8.347 18.164 -24.682 295 2HZ LYS 36 HZ2 LYS 36 8.083 18.531 -26.267 296 3HZ LYS 36 HZ3 LYS 36 7.512 19.526 -25.083 297 H ASP 37 H ASP 37 0.564 16.624 -29.339 298 HA ASP 37 HA ASP 37 -0.540 19.246 -30.050 299 1HB ASP 37 HB2 ASP 37 0.553 17.818 -31.727 300 2HB ASP 37 HB3 ASP 37 -0.679 16.569 -31.478 301 H ARG 38 H ARG 38 -2.661 19.794 -30.158 302 HA ARG 38 HA ARG 38 -4.548 18.906 -28.379 303 1HB ARG 38 HB2 ARG 38 -5.203 20.138 -31.070 304 2HB ARG 38 HB3 ARG 38 -6.165 20.242 -29.597 305 1HG ARG 38 HG2 ARG 38 -3.434 21.560 -30.035 306 2HG ARG 38 HG3 ARG 38 -4.991 22.319 -30.215 307 1HD ARG 38 HD2 ARG 38 -4.030 22.968 -28.078 308 2HD ARG 38 HD3 ARG 38 -5.535 22.075 -27.875 309 HE ARG 38 HE ARG 38 -4.434 20.616 -26.570 310 1HH1 ARG 38 1HH2 ARG 38 -1.910 22.012 -28.696 311 2HH1 ARG 38 2HH2 ARG 38 -0.710 20.858 -28.109 312 1HH2 ARG 38 1HH1 ARG 38 -2.705 19.405 -25.678 313 2HH2 ARG 38 2HH1 ARG 38 -1.152 19.428 -26.514 314 H ARG 39 H ARG 39 -4.145 17.704 -31.723 315 HA ARG 39 HA ARG 39 -6.546 16.153 -31.805 316 1HB ARG 39 HB2 ARG 39 -5.073 16.793 -33.723 317 2HB ARG 39 HB3 ARG 39 -3.887 15.596 -33.205 318 1HG ARG 39 HG2 ARG 39 -6.790 14.960 -33.943 319 2HG ARG 39 HG3 ARG 39 -5.438 14.948 -35.082 320 1HD ARG 39 HD2 ARG 39 -4.287 13.232 -33.666 321 2HD ARG 39 HD3 ARG 39 -5.775 13.102 -32.691 322 HE ARG 39 HE ARG 39 -6.601 12.794 -35.316 323 1HH1 ARG 39 1HH2 ARG 39 -4.429 11.130 -33.069 324 2HH1 ARG 39 2HH2 ARG 39 -4.551 9.596 -33.884 325 1HH2 ARG 39 1HH1 ARG 39 -6.908 10.734 -36.273 326 2HH2 ARG 39 2HH1 ARG 39 -6.075 9.339 -35.655 327 H MET 40 H MET 40 -3.144 15.232 -30.925 328 HA MET 40 HA MET 40 -3.864 12.579 -30.125 329 1HB MET 40 HB2 MET 40 -1.475 14.348 -29.469 330 2HB MET 40 HB3 MET 40 -1.642 12.666 -28.969 331 1HG MET 40 HG2 MET 40 -1.491 13.701 -31.820 332 2HG MET 40 HG3 MET 40 -0.284 12.752 -30.954 333 1HE MET 40 HE1 MET 40 -2.354 10.560 -29.541 334 2HE MET 40 HE2 MET 40 -2.108 9.246 -30.700 335 3HE MET 40 HE3 MET 40 -0.719 10.207 -30.158 336 H GLU 41 H GLU 41 -3.636 15.654 -28.349 337 HA GLU 41 HA GLU 41 -4.009 14.776 -25.768 338 1HB GLU 41 HB2 GLU 41 -3.660 17.122 -26.508 339 2HB GLU 41 HB3 GLU 41 -5.373 17.201 -26.972 340 1HG GLU 41 HG2 GLU 41 -6.057 16.786 -24.644 341 2HG GLU 41 HG3 GLU 41 -4.358 16.641 -24.160 342 H ASN 42 H ASN 42 -6.465 14.880 -28.333 343 HA ASN 42 HA ASN 42 -8.716 14.320 -26.568 344 1HB ASN 42 HB2 ASN 42 -8.349 14.140 -29.577 345 2HB ASN 42 HB3 ASN 42 -9.777 13.523 -28.763 346 1HD2 ASN 42 2HD2 ASN 42 -7.794 16.605 -28.971 347 2HD2 ASN 42 1HD2 ASN 42 -9.213 17.606 -28.744 348 H LEU 43 H LEU 43 -6.506 12.259 -28.505 349 HA LEU 43 HA LEU 43 -7.846 9.773 -27.833 350 1HB LEU 43 HB2 LEU 43 -5.021 10.376 -28.817 351 2HB LEU 43 HB3 LEU 43 -5.614 8.765 -28.417 352 HG LEU 43 HG LEU 43 -7.502 9.102 -30.084 353 1HD1 LEU 43 1HD1 LEU 43 -7.002 10.711 -31.937 354 2HD1 LEU 43 2HD1 LEU 43 -7.414 11.541 -30.438 355 3HD1 LEU 43 3HD1 LEU 43 -5.709 11.410 -30.940 356 1HD2 LEU 43 1HD2 LEU 43 -4.625 9.096 -31.096 357 2HD2 LEU 43 2HD2 LEU 43 -5.543 7.697 -30.476 358 3HD2 LEU 43 3HD2 LEU 43 -6.047 8.503 -31.976 359 H VAL 44 H VAL 44 -5.061 11.553 -26.485 360 HA VAL 44 HA VAL 44 -4.435 9.845 -24.321 361 HB VAL 44 HB VAL 44 -4.232 12.843 -24.661 362 1HG1 VAL 44 1HG1 VAL 44 -4.229 12.441 -22.258 363 2HG1 VAL 44 2HG1 VAL 44 -3.070 11.103 -22.455 364 3HG1 VAL 44 3HG1 VAL 44 -2.580 12.778 -22.792 365 1HG2 VAL 44 1HG2 VAL 44 -1.876 12.407 -25.103 366 2HG2 VAL 44 2HG2 VAL 44 -2.083 10.684 -24.741 367 3HG2 VAL 44 3HG2 VAL 44 -2.824 11.385 -26.191 368 H ALA 45 H ALA 45 -6.768 12.617 -24.416 369 HA ALA 45 HA ALA 45 -7.709 12.334 -21.778 370 1HB ALA 45 HB1 ALA 45 -9.205 13.333 -24.235 371 2HB ALA 45 HB2 ALA 45 -9.662 13.612 -22.543 372 3HB ALA 45 HB3 ALA 45 -8.153 14.295 -23.176 373 H TYR 46 H TYR 46 -9.053 10.905 -24.814 374 HA TYR 46 HA TYR 46 -11.147 9.424 -23.668 375 1HB TYR 46 HB2 TYR 46 -10.748 9.690 -26.104 376 2HB TYR 46 HB3 TYR 46 -9.361 8.619 -26.020 377 HD1 TYR 46 HD1 TYR 46 -13.046 8.831 -25.922 378 HD2 TYR 46 HD2 TYR 46 -9.661 6.178 -25.608 379 HE1 TYR 46 HE1 TYR 46 -14.548 6.886 -26.178 380 HE2 TYR 46 HE2 TYR 46 -11.177 4.227 -25.819 381 HH TYR 46 HH TYR 46 -14.698 4.610 -26.322 382 H ALA 47 H ALA 47 -7.749 8.418 -24.200 383 HA ALA 47 HA ALA 47 -8.005 5.861 -23.023 384 1HB ALA 47 HB1 ALA 47 -5.607 7.700 -23.418 385 2HB ALA 47 HB2 ALA 47 -5.487 6.019 -22.869 386 3HB ALA 47 HB3 ALA 47 -6.153 6.386 -24.475 387 H LYS 48 H LYS 48 -6.934 8.961 -21.506 388 HA LYS 48 HA LYS 48 -6.419 7.952 -18.906 389 1HB LYS 48 HB2 LYS 48 -7.365 10.664 -19.905 390 2HB LYS 48 HB3 LYS 48 -7.096 10.321 -18.191 391 1HG LYS 48 HG2 LYS 48 -4.759 9.723 -18.618 392 2HG LYS 48 HG3 LYS 48 -4.974 10.043 -20.353 393 1HD LYS 48 HD2 LYS 48 -5.498 12.391 -19.904 394 2HD LYS 48 HD3 LYS 48 -5.449 12.110 -18.152 395 1HE LYS 48 HE2 LYS 48 -3.061 11.556 -18.253 396 2HE LYS 48 HE3 LYS 48 -3.063 11.716 -20.018 397 1HZ LYS 48 HZ1 LYS 48 -3.611 14.017 -19.757 398 2HZ LYS 48 HZ2 LYS 48 -3.645 13.876 -18.115 399 3HZ LYS 48 HZ3 LYS 48 -2.230 13.665 -18.932 400 H LYS 49 H LYS 49 -9.436 9.333 -20.271 401 HA LYS 49 HA LYS 49 -11.148 8.992 -18.068 402 1HB LYS 49 HB2 LYS 49 -11.649 10.213 -20.156 403 2HB LYS 49 HB3 LYS 49 -11.749 8.692 -21.022 404 1HG LYS 49 HG2 LYS 49 -13.625 7.991 -19.543 405 2HG LYS 49 HG3 LYS 49 -13.519 9.521 -18.679 406 1HD LYS 49 HD2 LYS 49 -15.359 9.489 -20.338 407 2HD LYS 49 HD3 LYS 49 -14.180 10.766 -20.642 408 1HE LYS 49 HE2 LYS 49 -14.968 9.599 -22.714 409 2HE LYS 49 HE3 LYS 49 -13.219 9.556 -22.509 410 1HZ LYS 49 HZ1 LYS 49 -14.102 7.439 -23.162 411 2HZ LYS 49 HZ2 LYS 49 -13.429 7.330 -21.664 412 3HZ LYS 49 HZ3 LYS 49 -15.069 7.376 -21.827 413 H VAL 50 H VAL 50 -10.728 6.785 -20.848 414 HA VAL 50 HA VAL 50 -12.397 4.821 -19.724 415 HB VAL 50 HB VAL 50 -11.427 5.270 -22.205 416 1HG1 VAL 50 1HG1 VAL 50 -10.009 2.710 -21.404 417 2HG1 VAL 50 2HG1 VAL 50 -10.137 3.427 -23.022 418 3HG1 VAL 50 3HG1 VAL 50 -9.242 4.282 -21.754 419 1HG2 VAL 50 1HG2 VAL 50 -12.580 2.651 -21.204 420 2HG2 VAL 50 2HG2 VAL 50 -13.495 4.120 -21.627 421 3HG2 VAL 50 3HG2 VAL 50 -12.587 3.262 -22.878 422 H GLU 51 H GLU 51 -8.762 4.924 -19.680 423 HA GLU 51 HA GLU 51 -8.448 2.555 -18.185 424 1HB GLU 51 HB2 GLU 51 -6.627 3.666 -19.339 425 2HB GLU 51 HB3 GLU 51 -6.762 5.070 -18.283 426 1HG GLU 51 HG2 GLU 51 -6.199 2.254 -17.234 427 2HG GLU 51 HG3 GLU 51 -4.900 3.303 -17.790 428 H GLY 52 H GLY 52 -9.080 5.933 -17.106 429 1HA GLY 52 HA2 GLY 52 -9.086 5.528 -14.326 430 2HA GLY 52 HA3 GLY 52 -10.144 6.645 -15.210 431 H ASP 53 H ASP 53 -11.845 5.188 -16.626 432 HA ASP 53 HA ASP 53 -13.743 4.186 -14.837 433 1HB ASP 53 HB2 ASP 53 -14.228 4.892 -17.148 434 2HB ASP 53 HB3 ASP 53 -13.459 3.417 -17.762 435 H MET 54 H MET 54 -11.372 2.276 -16.777 436 HA MET 54 HA MET 54 -12.129 -0.251 -15.696 437 1HB MET 54 HB2 MET 54 -9.416 0.609 -16.750 438 2HB MET 54 HB3 MET 54 -9.935 -1.040 -16.427 439 1HG MET 54 HG2 MET 54 -10.926 0.849 -18.572 440 2HG MET 54 HG3 MET 54 -10.226 -0.750 -18.741 441 1HE MET 54 HE1 MET 54 -11.829 -1.397 -20.493 442 2HE MET 54 HE2 MET 54 -13.607 -1.316 -20.377 443 3HE MET 54 HE3 MET 54 -12.649 0.191 -20.415 444 H TYR 55 H TYR 55 -9.629 2.070 -14.570 445 HA TYR 55 HA TYR 55 -8.576 0.532 -12.462 446 1HB TYR 55 HB2 TYR 55 -7.659 2.642 -13.513 447 2HB TYR 55 HB3 TYR 55 -8.819 3.561 -12.573 448 HD1 TYR 55 HD1 TYR 55 -6.044 1.032 -12.198 449 HD2 TYR 55 HD2 TYR 55 -7.937 4.558 -10.624 450 HE1 TYR 55 HE1 TYR 55 -4.260 1.230 -10.510 451 HE2 TYR 55 HE2 TYR 55 -6.108 4.791 -8.981 452 HH TYR 55 HH TYR 55 -3.268 2.621 -8.923 453 H GLU 56 H GLU 56 -11.373 2.782 -12.505 454 HA GLU 56 HA GLU 56 -12.097 2.393 -9.727 455 1HB GLU 56 HB2 GLU 56 -13.670 3.296 -12.160 456 2HB GLU 56 HB3 GLU 56 -14.222 3.427 -10.492 457 1HG GLU 56 HG2 GLU 56 -11.740 4.803 -11.603 458 2HG GLU 56 HG3 GLU 56 -13.313 5.555 -11.420 459 H SER 57 H SER 57 -13.233 0.852 -12.778 460 HA SER 57 HA SER 57 -15.232 -0.684 -11.422 461 1HB SER 57 HB2 SER 57 -15.328 -0.054 -13.832 462 2HB SER 57 HB3 SER 57 -14.000 -1.182 -14.161 463 HG SER 57 HG SER 57 -15.519 -2.746 -12.993 464 H ALA 58 H ALA 58 -11.834 -1.397 -12.126 465 HA ALA 58 HA ALA 58 -12.114 -4.239 -12.111 466 1HB ALA 58 HB1 ALA 58 -9.643 -4.195 -12.095 467 2HB ALA 58 HB2 ALA 58 -10.422 -3.238 -13.375 468 3HB ALA 58 HB3 ALA 58 -9.717 -2.419 -11.977 469 H ASN 59 H ASN 59 -12.524 -5.489 -10.471 470 HA ASN 59 HA ASN 59 -12.051 -4.734 -7.705 471 1HB ASN 59 HB2 ASN 59 -13.162 -7.289 -8.885 472 2HB ASN 59 HB3 ASN 59 -13.232 -6.788 -7.190 473 1HD2 ASN 59 2HD2 ASN 59 -14.588 -6.285 -10.414 474 2HD2 ASN 59 1HD2 ASN 59 -15.797 -5.114 -9.917 475 H SER 60 H SER 60 -10.098 -6.258 -10.071 476 HA SER 60 HA SER 60 -8.069 -6.811 -8.074 477 1HB SER 60 HB2 SER 60 -9.169 -8.981 -8.052 478 2HB SER 60 HB3 SER 60 -9.077 -9.067 -9.824 479 HG SER 60 HG SER 60 -7.282 -10.137 -8.998 480 H ARG 61 H ARG 61 -6.038 -7.229 -9.146 481 HA ARG 61 HA ARG 61 -5.473 -5.398 -11.265 482 1HB ARG 61 HB2 ARG 61 -3.971 -6.139 -9.436 483 2HB ARG 61 HB3 ARG 61 -3.772 -7.709 -10.221 484 1HG ARG 61 HG2 ARG 61 -2.606 -6.695 -12.088 485 2HG ARG 61 HG3 ARG 61 -3.103 -5.059 -11.587 486 1HD ARG 61 HD2 ARG 61 -1.892 -5.323 -9.479 487 2HD ARG 61 HD3 ARG 61 -1.329 -6.935 -9.986 488 HE ARG 61 HE ARG 61 -0.596 -4.989 -11.948 489 1HH1 ARG 61 1HH2 ARG 61 0.190 -5.973 -8.637 490 2HH1 ARG 61 2HH2 ARG 61 1.826 -5.382 -8.706 491 1HH2 ARG 61 1HH1 ARG 61 1.548 -4.219 -12.037 492 2HH2 ARG 61 2HH1 ARG 61 2.579 -4.270 -10.633 493 H ASP 62 H ASP 62 -5.834 -8.947 -11.109 494 HA ASP 62 HA ASP 62 -5.390 -9.549 -13.824 495 1HB ASP 62 HB2 ASP 62 -6.787 -11.545 -13.419 496 2HB ASP 62 HB3 ASP 62 -5.485 -11.310 -12.259 497 H GLU 63 H GLU 63 -8.494 -8.556 -12.257 498 HA GLU 63 HA GLU 63 -10.000 -8.548 -14.667 499 1HB GLU 63 HB2 GLU 63 -11.088 -8.471 -12.502 500 2HB GLU 63 HB3 GLU 63 -10.431 -6.855 -12.166 501 1HG GLU 63 HG2 GLU 63 -11.710 -5.841 -13.899 502 2HG GLU 63 HG3 GLU 63 -12.168 -7.391 -14.602 503 H TYR 64 H TYR 64 -8.240 -5.882 -13.016 504 HA TYR 64 HA TYR 64 -8.675 -3.800 -14.798 505 1HB TYR 64 HB2 TYR 64 -7.517 -3.543 -12.685 506 2HB TYR 64 HB3 TYR 64 -6.183 -4.520 -13.252 507 HD1 TYR 64 HD1 TYR 64 -8.049 -1.401 -14.253 508 HD2 TYR 64 HD2 TYR 64 -4.270 -3.470 -14.004 509 HE1 TYR 64 HE1 TYR 64 -6.863 0.688 -14.851 510 HE2 TYR 64 HE2 TYR 64 -3.092 -1.381 -14.570 511 HH TYR 64 HH TYR 64 -4.789 1.731 -14.927 512 H TYR 65 H TYR 65 -6.015 -6.226 -15.064 513 HA TYR 65 HA TYR 65 -5.190 -5.252 -17.650 514 1HB TYR 65 HB2 TYR 65 -4.635 -7.722 -16.022 515 2HB TYR 65 HB3 TYR 65 -4.250 -7.729 -17.739 516 HD1 TYR 65 HD1 TYR 65 -3.245 -6.343 -14.485 517 HD2 TYR 65 HD2 TYR 65 -2.802 -5.987 -18.751 518 HE1 TYR 65 HE1 TYR 65 -1.269 -4.893 -14.159 519 HE2 TYR 65 HE2 TYR 65 -0.757 -4.628 -18.427 520 HH TYR 65 HH TYR 65 0.574 -3.950 -15.213 521 H HIS 66 H HIS 66 -7.415 -7.952 -16.743 522 HA HIS 66 HA HIS 66 -7.890 -8.863 -19.347 523 1HB HIS 66 HB2 HIS 66 -8.659 -10.087 -17.404 524 2HB HIS 66 HB3 HIS 66 -9.819 -8.809 -17.013 525 HD2 HIS 66 HD2 HIS 66 -12.015 -8.580 -18.558 526 HE1 HIS 66 HE1 HIS 66 -11.216 -11.788 -21.229 527 HE2 HIS 66 HE2 HIS 66 -12.890 -9.976 -20.586 528 H LEU 67 H LEU 67 -9.979 -6.450 -17.577 529 HA LEU 67 HA LEU 67 -11.501 -6.118 -19.988 530 1HB LEU 67 HB2 LEU 67 -12.603 -4.154 -18.815 531 2HB LEU 67 HB3 LEU 67 -12.916 -5.821 -18.355 532 HG LEU 67 HG LEU 67 -11.591 -5.658 -16.377 533 1HD1 LEU 67 1HD1 LEU 67 -10.684 -3.330 -15.742 534 2HD1 LEU 67 2HD1 LEU 67 -9.806 -4.195 -17.017 535 3HD1 LEU 67 3HD1 LEU 67 -10.907 -2.896 -17.448 536 1HD2 LEU 67 1HD2 LEU 67 -13.410 -3.241 -16.584 537 2HD2 LEU 67 2HD2 LEU 67 -13.924 -4.914 -16.244 538 3HD2 LEU 67 3HD2 LEU 67 -12.884 -4.057 -15.098 539 H LEU 68 H LEU 68 -8.642 -4.367 -18.838 540 HA LEU 68 HA LEU 68 -8.896 -2.311 -20.863 541 1HB LEU 68 HB2 LEU 68 -6.551 -3.415 -19.286 542 2HB LEU 68 HB3 LEU 68 -6.297 -2.259 -20.594 543 HG LEU 68 HG LEU 68 -8.168 -1.693 -18.269 544 1HD1 LEU 68 1HD1 LEU 68 -6.363 -0.234 -17.419 545 2HD1 LEU 68 2HD1 LEU 68 -5.886 -1.948 -17.398 546 3HD1 LEU 68 3HD1 LEU 68 -5.263 -0.858 -18.660 547 1HD2 LEU 68 1HD2 LEU 68 -7.874 0.647 -19.003 548 2HD2 LEU 68 2HD2 LEU 68 -6.799 0.139 -20.307 549 3HD2 LEU 68 3HD2 LEU 68 -8.525 -0.268 -20.355 550 H ALA 69 H ALA 69 -7.166 -5.476 -20.837 551 HA ALA 69 HA ALA 69 -6.205 -5.314 -23.500 552 1HB ALA 69 HB1 ALA 69 -6.012 -7.763 -23.355 553 2HB ALA 69 HB2 ALA 69 -5.427 -6.974 -21.878 554 3HB ALA 69 HB3 ALA 69 -7.016 -7.770 -21.886 555 H GLU 70 H GLU 70 -9.260 -6.702 -22.234 556 HA GLU 70 HA GLU 70 -10.471 -7.415 -24.669 557 1HB GLU 70 HB2 GLU 70 -11.310 -8.075 -22.480 558 2HB GLU 70 HB3 GLU 70 -11.734 -6.393 -22.109 559 1HG GLU 70 HG2 GLU 70 -13.418 -6.328 -23.837 560 2HG GLU 70 HG3 GLU 70 -12.967 -7.927 -24.432 561 H LYS 71 H LYS 71 -10.585 -4.208 -22.939 562 HA LYS 71 HA LYS 71 -12.249 -2.935 -24.787 563 1HB LYS 71 HB2 LYS 71 -11.774 -2.037 -22.657 564 2HB LYS 71 HB3 LYS 71 -10.063 -1.811 -23.030 565 1HG LYS 71 HG2 LYS 71 -11.418 0.252 -23.064 566 2HG LYS 71 HG3 LYS 71 -10.552 -0.044 -24.576 567 1HD LYS 71 HD2 LYS 71 -12.541 -0.720 -25.708 568 2HD LYS 71 HD3 LYS 71 -13.469 -0.825 -24.199 569 1HE LYS 71 HE2 LYS 71 -13.562 1.521 -23.943 570 2HE LYS 71 HE3 LYS 71 -12.219 1.807 -25.064 571 1HZ LYS 71 HZ1 LYS 71 -14.238 2.374 -26.067 572 2HZ LYS 71 HZ2 LYS 71 -13.639 1.048 -26.838 573 3HZ LYS 71 HZ3 LYS 71 -14.902 0.884 -25.789 574 H ILE 72 H ILE 72 -8.624 -3.045 -24.748 575 HA ILE 72 HA ILE 72 -8.179 -1.703 -27.212 576 HB ILE 72 HB ILE 72 -6.667 -3.894 -25.754 577 1HG1 ILE 72 2HG1 ILE 72 -6.189 -0.928 -26.211 578 2HG1 ILE 72 3HG1 ILE 72 -6.697 -1.736 -24.707 579 1HG2 ILE 72 1HG2 ILE 72 -6.115 -4.378 -27.992 580 2HG2 ILE 72 2HG2 ILE 72 -6.007 -2.674 -28.446 581 3HG2 ILE 72 3HG2 ILE 72 -4.774 -3.426 -27.403 582 1HD1 ILE 72 1HD1 ILE 72 -3.986 -1.874 -26.049 583 2HD1 ILE 72 2HD1 ILE 72 -4.399 -1.399 -24.403 584 3HD1 ILE 72 3HD1 ILE 72 -4.544 -3.099 -24.887 585 H TYR 73 H TYR 73 -8.610 -5.184 -26.631 586 HA TYR 73 HA TYR 73 -8.407 -6.150 -29.225 587 1HB TYR 73 HB2 TYR 73 -8.560 -7.271 -26.946 588 2HB TYR 73 HB3 TYR 73 -10.301 -7.205 -27.118 589 HD1 TYR 73 HD1 TYR 73 -8.536 -9.630 -26.595 590 HD2 TYR 73 HD2 TYR 73 -9.845 -7.944 -30.339 591 HE1 TYR 73 HE1 TYR 73 -8.956 -11.883 -27.470 592 HE2 TYR 73 HE2 TYR 73 -10.346 -10.189 -31.177 593 HH TYR 73 HH TYR 73 -10.079 -13.106 -29.105 594 H LYS 74 H LYS 74 -11.359 -5.117 -27.504 595 HA LYS 74 HA LYS 74 -13.192 -5.318 -29.662 596 1HB LYS 74 HB2 LYS 74 -13.135 -3.559 -27.193 597 2HB LYS 74 HB3 LYS 74 -14.460 -3.508 -28.350 598 1HG LYS 74 HG2 LYS 74 -13.581 -6.215 -27.407 599 2HG LYS 74 HG3 LYS 74 -14.460 -5.226 -26.237 600 1HD LYS 74 HD2 LYS 74 -15.487 -5.788 -29.065 601 2HD LYS 74 HD3 LYS 74 -15.818 -6.855 -27.692 602 1HE LYS 74 HE2 LYS 74 -16.903 -5.040 -26.460 603 2HE LYS 74 HE3 LYS 74 -16.571 -3.899 -27.781 604 1HZ LYS 74 HZ1 LYS 74 -18.251 -6.291 -27.986 605 2HZ LYS 74 HZ2 LYS 74 -18.775 -4.730 -27.912 606 3HZ LYS 74 HZ3 LYS 74 -17.910 -5.247 -29.215 607 H ILE 75 H ILE 75 -11.251 -2.411 -28.640 608 HA ILE 75 HA ILE 75 -12.240 -0.713 -30.689 609 HB ILE 75 HB ILE 75 -9.500 -0.819 -29.355 610 1HG1 ILE 75 2HG1 ILE 75 -11.910 1.025 -28.930 611 2HG1 ILE 75 3HG1 ILE 75 -11.555 -0.372 -27.926 612 1HG2 ILE 75 1HG2 ILE 75 -10.688 1.361 -31.122 613 2HG2 ILE 75 2HG2 ILE 75 -9.188 1.499 -30.185 614 3HG2 ILE 75 3HG2 ILE 75 -9.271 0.360 -31.511 615 1HD1 ILE 75 1HD1 ILE 75 -10.706 1.505 -26.754 616 2HD1 ILE 75 2HD1 ILE 75 -9.300 0.629 -27.381 617 3HD1 ILE 75 3HD1 ILE 75 -9.861 2.127 -28.165 618 H GLN 76 H GLN 76 -9.330 -2.812 -30.768 619 HA GLN 76 HA GLN 76 -8.713 -2.308 -33.502 620 1HB GLN 76 HB2 GLN 76 -8.049 -4.390 -31.445 621 2HB GLN 76 HB3 GLN 76 -7.545 -4.707 -33.089 622 1HG GLN 76 HG2 GLN 76 -6.796 -2.208 -31.480 623 2HG GLN 76 HG3 GLN 76 -5.758 -3.605 -31.761 624 1HE2 GLN 76 2HE2 GLN 76 -5.642 -0.564 -32.734 625 2HE2 GLN 76 1HE2 GLN 76 -5.290 -0.816 -34.427 626 H LYS 77 H LYS 77 -10.926 -4.757 -32.084 627 HA LYS 77 HA LYS 77 -11.355 -6.085 -34.610 628 1HB LYS 77 HB2 LYS 77 -12.844 -5.993 -31.981 629 2HB LYS 77 HB3 LYS 77 -13.511 -6.876 -33.345 630 1HG LYS 77 HG2 LYS 77 -10.676 -7.486 -32.548 631 2HG LYS 77 HG3 LYS 77 -12.004 -8.046 -31.525 632 1HD LYS 77 HD2 LYS 77 -11.458 -9.814 -33.077 633 2HD LYS 77 HD3 LYS 77 -13.073 -9.202 -33.429 634 1HE LYS 77 HE2 LYS 77 -12.252 -7.987 -35.373 635 2HE LYS 77 HE3 LYS 77 -10.563 -8.312 -34.905 636 1HZ LYS 77 HZ1 LYS 77 -11.322 -9.744 -36.646 637 2HZ LYS 77 HZ2 LYS 77 -10.972 -10.623 -35.296 638 3HZ LYS 77 HZ3 LYS 77 -12.542 -10.325 -35.703 639 H GLU 78 H GLU 78 -13.212 -3.660 -32.825 640 HA GLU 78 HA GLU 78 -15.341 -3.495 -34.715 641 1HB GLU 78 HB2 GLU 78 -14.523 -1.681 -32.426 642 2HB GLU 78 HB3 GLU 78 -16.034 -1.535 -33.332 643 1HG GLU 78 HG2 GLU 78 -15.226 -3.976 -31.685 644 2HG GLU 78 HG3 GLU 78 -16.374 -2.725 -31.213 645 H LEU 79 H LEU 79 -12.650 -1.207 -33.965 646 HA LEU 79 HA LEU 79 -13.411 0.557 -36.174 647 1HB LEU 79 HB2 LEU 79 -11.293 0.643 -34.018 648 2HB LEU 79 HB3 LEU 79 -11.186 1.641 -35.437 649 HG LEU 79 HG LEU 79 -13.501 2.553 -34.949 650 1HD1 LEU 79 1HD1 LEU 79 -14.490 0.824 -33.584 651 2HD1 LEU 79 2HD1 LEU 79 -13.151 0.896 -32.414 652 3HD1 LEU 79 3HD1 LEU 79 -14.298 2.243 -32.553 653 1HD2 LEU 79 1HD2 LEU 79 -11.547 3.832 -34.310 654 2HD2 LEU 79 2HD2 LEU 79 -12.762 3.965 -33.033 655 3HD2 LEU 79 3HD2 LEU 79 -11.365 2.890 -32.811 656 H GLU 80 H GLU 80 -11.057 -1.947 -35.641 657 HA GLU 80 HA GLU 80 -9.161 -2.521 -36.788 658 1HB GLU 80 HB2 GLU 80 -11.183 -3.934 -37.212 659 2HB GLU 80 HB3 GLU 80 -11.349 -3.206 -38.794 660 1HG GLU 80 HG2 GLU 80 -8.916 -4.751 -37.759 661 2HG GLU 80 HG3 GLU 80 -10.209 -5.432 -38.746 662 H GLU 81 H GLU 81 -10.782 -1.481 -39.838 663 HA GLU 81 HA GLU 81 -8.248 -0.843 -40.937 664 1HB GLU 81 HB2 GLU 81 -9.362 -0.320 -42.936 665 2HB GLU 81 HB3 GLU 81 -9.930 -1.839 -42.265 666 1HG GLU 81 HG2 GLU 81 -11.505 0.734 -41.872 667 2HG GLU 81 HG3 GLU 81 -11.572 -0.233 -43.340 668 H LYS 82 H LYS 82 -7.971 0.855 -38.920 669 HA LYS 82 HA LYS 82 -8.835 3.520 -39.702 670 1HB LYS 82 HB2 LYS 82 -6.840 2.577 -37.584 671 2HB LYS 82 HB3 LYS 82 -7.289 4.263 -37.876 672 1HG LYS 82 HG2 LYS 82 -9.709 3.617 -37.445 673 2HG LYS 82 HG3 LYS 82 -9.136 1.997 -37.012 674 1HD LYS 82 HD2 LYS 82 -9.364 3.168 -34.947 675 2HD LYS 82 HD3 LYS 82 -7.629 3.124 -35.263 676 1HE LYS 82 HE2 LYS 82 -7.707 5.467 -36.094 677 2HE LYS 82 HE3 LYS 82 -9.469 5.490 -35.917 678 1HZ LYS 82 HZ1 LYS 82 -8.315 6.527 -34.098 679 2HZ LYS 82 HZ2 LYS 82 -9.169 5.218 -33.574 680 3HZ LYS 82 HZ3 LYS 82 -7.532 5.113 -33.747 681 H ARG 83 H ARG 83 -5.475 2.230 -39.313 682 HA ARG 83 HA ARG 83 -4.368 4.394 -40.737 683 1HB ARG 83 HB2 ARG 83 -3.315 1.621 -40.096 684 2HB ARG 83 HB3 ARG 83 -2.323 2.803 -40.957 685 1HG ARG 83 HG2 ARG 83 -3.641 3.476 -38.299 686 2HG ARG 83 HG3 ARG 83 -2.061 2.690 -38.387 687 1HD ARG 83 HD2 ARG 83 -1.055 4.556 -39.522 688 2HD ARG 83 HD3 ARG 83 -2.604 5.289 -39.866 689 HE ARG 83 HE ARG 83 -2.819 6.125 -37.753 690 1HH1 ARG 83 2HH2 ARG 83 0.072 4.017 -37.806 691 2HH1 ARG 83 1HH2 ARG 83 0.717 4.777 -36.351 692 1HH2 ARG 83 2HH1 ARG 83 -1.859 7.033 -35.862 693 2HH2 ARG 83 1HH1 ARG 83 -0.345 6.357 -35.291 694 H ARG 84 H ARG 84 -5.818 1.489 -42.035 695 HA ARG 84 HA ARG 84 -4.801 2.055 -44.749 696 1HB ARG 84 HB2 ARG 84 -6.854 -0.022 -43.939 697 2HB ARG 84 HB3 ARG 84 -5.917 0.092 -45.432 698 1HG ARG 84 HG2 ARG 84 -3.831 -0.142 -43.927 699 2HG ARG 84 HG3 ARG 84 -4.959 -0.560 -42.623 700 1HD ARG 84 HD2 ARG 84 -4.588 -1.947 -45.307 701 2HD ARG 84 HD3 ARG 84 -4.139 -2.629 -43.742 702 HE ARG 84 HE ARG 84 -6.697 -2.678 -45.064 703 1HH1 ARG 84 1HH1 ARG 84 -5.276 -2.550 -41.835 704 2HH1 ARG 84 2HH1 ARG 84 -6.681 -3.215 -41.034 705 1HH2 ARG 84 1HH2 ARG 84 -8.492 -3.636 -44.056 706 2HH2 ARG 84 2HH2 ARG 84 -8.544 -3.832 -42.324 707 H SER 85 H SER 85 -7.328 3.326 -42.832 708 HA SER 85 HA SER 85 -8.497 4.622 -45.132 709 1HB SER 85 HB2 SER 85 -9.695 2.444 -45.235 710 2HB SER 85 HB3 SER 85 -10.263 2.685 -43.575 711 HG SER 85 HG SER 85 -10.822 4.336 -45.825 712 H ARG 86 H ARG 86 -9.839 3.805 -41.874 713 HA ARG 86 HA ARG 86 -10.619 6.628 -41.578 714 1HB ARG 86 HB2 ARG 86 -11.102 4.123 -39.968 715 2HB ARG 86 HB3 ARG 86 -11.655 5.729 -39.445 716 1HG ARG 86 HG2 ARG 86 -12.911 6.010 -41.540 717 2HG ARG 86 HG3 ARG 86 -12.445 4.389 -42.074 718 1HD ARG 86 HD2 ARG 86 -13.937 4.852 -39.437 719 2HD ARG 86 HD3 ARG 86 -14.765 4.747 -40.984 720 HE ARG 86 HE ARG 86 -14.370 2.527 -41.192 721 1HH1 ARG 86 2HH2 ARG 86 -12.494 3.664 -38.370 722 2HH1 ARG 86 1HH2 ARG 86 -12.097 2.009 -37.910 723 1HH2 ARG 86 2HH1 ARG 86 -13.899 0.428 -40.414 724 2HH2 ARG 86 1HH1 ARG 86 -12.894 0.276 -38.980 725 H LEU 87 H LEU 87 -8.194 7.086 -41.677 726 HA LEU 87 HA LEU 87 -6.380 6.568 -39.686 727 1HB LEU 87 HB2 LEU 87 -5.898 7.716 -41.802 728 2HB LEU 87 HB3 LEU 87 -6.798 9.137 -41.257 729 HG LEU 87 HG LEU 87 -5.099 9.482 -39.437 730 1HD1 LEU 87 1HD1 LEU 87 -2.932 8.287 -39.616 731 2HD1 LEU 87 2HD1 LEU 87 -4.236 7.151 -39.246 732 3HD1 LEU 87 3HD1 LEU 87 -3.598 7.260 -40.901 733 1HD2 LEU 87 1HD2 LEU 87 -3.386 10.369 -40.938 734 2HD2 LEU 87 2HD2 LEU 87 -3.979 9.345 -42.265 735 3HD2 LEU 87 3HD2 LEU 87 -4.997 10.650 -41.621 736 1H LYS 88 H1 LYS 88 -4.691 -14.029 -38.441 737 2H LYS 88 H2 LYS 88 -6.146 -14.794 -38.457 738 3H LYS 88 H3 LYS 88 -5.858 -13.547 -39.494 739 HA LYS 88 HA LYS 88 -5.713 -11.975 -37.764 740 1HB LYS 88 HB2 LYS 88 -8.207 -13.704 -37.519 741 2HB LYS 88 HB3 LYS 88 -8.036 -12.046 -36.917 742 1HG LYS 88 HG2 LYS 88 -7.646 -11.220 -39.211 743 2HG LYS 88 HG3 LYS 88 -7.800 -12.871 -39.847 744 1HD LYS 88 HD2 LYS 88 -10.114 -13.008 -38.975 745 2HD LYS 88 HD3 LYS 88 -9.982 -11.349 -38.357 746 1HE LYS 88 HE2 LYS 88 -9.611 -10.509 -40.663 747 2HE LYS 88 HE3 LYS 88 -9.696 -12.166 -41.291 748 1HZ LYS 88 HZ1 LYS 88 -11.945 -12.285 -40.504 749 2HZ LYS 88 HZ2 LYS 88 -11.871 -10.742 -39.928 750 3HZ LYS 88 HZ3 LYS 88 -11.755 -11.025 -41.546 751 H GLU 89 H GLU 89 -6.447 -15.227 -36.488 752 HA GLU 89 HA GLU 89 -6.436 -14.905 -33.819 753 1HB GLU 89 HB2 GLU 89 -5.620 -17.130 -33.588 754 2HB GLU 89 HB3 GLU 89 -6.745 -17.030 -34.947 755 1HG GLU 89 HG2 GLU 89 -3.721 -17.342 -35.024 756 2HG GLU 89 HG3 GLU 89 -4.939 -18.493 -35.565 757 H LYS 90 H LYS 90 -3.385 -15.096 -35.673 758 HA LYS 90 HA LYS 90 -1.620 -14.851 -33.450 759 1HB LYS 90 HB2 LYS 90 -1.327 -14.044 -36.368 760 2HB LYS 90 HB3 LYS 90 -0.003 -13.965 -35.194 761 1HG LYS 90 HG2 LYS 90 -0.073 -16.344 -34.796 762 2HG LYS 90 HG3 LYS 90 -1.539 -16.527 -35.770 763 1HD LYS 90 HD2 LYS 90 -0.292 -15.744 -37.791 764 2HD LYS 90 HD3 LYS 90 1.170 -15.575 -36.805 765 1HE LYS 90 HE2 LYS 90 1.277 -17.673 -38.023 766 2HE LYS 90 HE3 LYS 90 1.090 -18.029 -36.299 767 1HZ LYS 90 HZ1 LYS 90 -1.064 -18.038 -38.303 768 2HZ LYS 90 HZ2 LYS 90 -0.332 -19.371 -37.670 769 3HZ LYS 90 HZ3 LYS 90 -1.242 -18.397 -36.705 770 H ARG 91 H ARG 91 -3.282 -12.403 -35.384 771 HA ARG 91 HA ARG 91 -1.890 -10.110 -34.230 772 1HB ARG 91 HB2 ARG 91 -2.778 -9.834 -36.378 773 2HB ARG 91 HB3 ARG 91 -4.378 -10.407 -35.954 774 1HG ARG 91 HG2 ARG 91 -3.380 -7.946 -34.523 775 2HG ARG 91 HG3 ARG 91 -3.754 -7.835 -36.244 776 1HD ARG 91 HD2 ARG 91 -6.008 -8.843 -35.799 777 2HD ARG 91 HD3 ARG 91 -5.719 -8.624 -34.052 778 HE ARG 91 HE ARG 91 -5.161 -6.158 -35.095 779 1HH1 ARG 91 1HH2 ARG 91 -8.005 -8.269 -35.308 780 2HH1 ARG 91 2HH2 ARG 91 -9.089 -6.941 -35.668 781 1HH2 ARG 91 2HH1 ARG 91 -6.629 -4.451 -35.452 782 2HH2 ARG 91 1HH1 ARG 91 -8.329 -4.770 -35.639 783 H ILE 92 H ILE 92 -4.982 -11.820 -33.685 784 HA ILE 92 HA ILE 92 -5.896 -10.202 -31.525 785 HB ILE 92 HB ILE 92 -6.474 -12.956 -32.575 786 1HG1 ILE 92 2HG1 ILE 92 -8.851 -12.014 -32.270 787 2HG1 ILE 92 3HG1 ILE 92 -8.073 -10.470 -31.888 788 1HG2 ILE 92 1HG2 ILE 92 -6.339 -13.564 -30.269 789 2HG2 ILE 92 2HG2 ILE 92 -7.282 -12.140 -29.776 790 3HG2 ILE 92 3HG2 ILE 92 -8.026 -13.457 -30.719 791 1HD1 ILE 92 1HD1 ILE 92 -8.758 -10.573 -34.230 792 2HD1 ILE 92 2HD1 ILE 92 -6.991 -10.513 -34.137 793 3HD1 ILE 92 3HD1 ILE 92 -7.813 -12.056 -34.469 794 H LYS 93 H LYS 93 -3.870 -13.174 -31.424 795 HA LYS 93 HA LYS 93 -3.650 -13.120 -28.569 796 1HB LYS 93 HB2 LYS 93 -2.061 -14.509 -30.744 797 2HB LYS 93 HB3 LYS 93 -1.728 -14.749 -29.024 798 1HG LYS 93 HG2 LYS 93 -4.483 -15.162 -30.270 799 2HG LYS 93 HG3 LYS 93 -3.282 -16.443 -30.096 800 1HD LYS 93 HD2 LYS 93 -4.059 -16.854 -28.037 801 2HD LYS 93 HD3 LYS 93 -3.414 -15.297 -27.513 802 1HE LYS 93 HE2 LYS 93 -5.609 -14.224 -28.150 803 2HE LYS 93 HE3 LYS 93 -6.218 -15.826 -28.610 804 1HZ LYS 93 HZ1 LYS 93 -5.799 -16.505 -26.323 805 2HZ LYS 93 HZ2 LYS 93 -5.358 -14.961 -25.938 806 3HZ LYS 93 HZ3 LYS 93 -6.892 -15.275 -26.428 807 H GLU 94 H GLU 94 -1.333 -11.994 -31.094 808 HA GLU 94 HA GLU 94 0.626 -10.955 -29.332 809 1HB GLU 94 HB2 GLU 94 -0.304 -10.097 -32.100 810 2HB GLU 94 HB3 GLU 94 1.072 -9.352 -31.272 811 1HG GLU 94 HG2 GLU 94 2.247 -11.481 -31.134 812 2HG GLU 94 HG3 GLU 94 0.869 -12.352 -31.814 813 H LEU 95 H LEU 95 -2.330 -9.380 -30.650 814 HA LEU 95 HA LEU 95 -1.977 -6.877 -29.423 815 1HB LEU 95 HB2 LEU 95 -3.568 -7.352 -31.228 816 2HB LEU 95 HB3 LEU 95 -4.520 -8.394 -30.157 817 HG LEU 95 HG LEU 95 -5.054 -6.413 -28.732 818 1HD1 LEU 95 1HD1 LEU 95 -3.505 -4.944 -30.934 819 2HD1 LEU 95 2HD1 LEU 95 -4.623 -4.141 -29.829 820 3HD1 LEU 95 3HD1 LEU 95 -3.169 -4.911 -29.187 821 1HD2 LEU 95 1HD2 LEU 95 -6.583 -5.442 -30.317 822 2HD2 LEU 95 2HD2 LEU 95 -5.713 -6.168 -31.693 823 3HD2 LEU 95 3HD2 LEU 95 -6.547 -7.204 -30.514 824 H GLU 96 H GLU 96 -3.887 -9.714 -28.254 825 HA GLU 96 HA GLU 96 -4.730 -8.520 -25.822 826 1HB GLU 96 HB2 GLU 96 -5.775 -10.459 -26.815 827 2HB GLU 96 HB3 GLU 96 -4.329 -11.441 -26.575 828 1HG GLU 96 HG2 GLU 96 -4.574 -11.221 -24.120 829 2HG GLU 96 HG3 GLU 96 -5.978 -10.159 -24.348 830 H LEU 97 H LEU 97 -1.920 -10.620 -26.547 831 HA LEU 97 HA LEU 97 -0.837 -10.733 -23.953 832 1HB LEU 97 HB2 LEU 97 -0.243 -12.269 -25.760 833 2HB LEU 97 HB3 LEU 97 0.495 -10.949 -26.677 834 HG LEU 97 HG LEU 97 2.258 -10.698 -24.975 835 1HD1 LEU 97 1HD1 LEU 97 0.840 -13.014 -23.575 836 2HD1 LEU 97 2HD1 LEU 97 2.482 -12.458 -23.194 837 3HD1 LEU 97 3HD1 LEU 97 1.109 -11.383 -22.918 838 1HD2 LEU 97 1HD2 LEU 97 1.882 -13.587 -25.863 839 2HD2 LEU 97 2HD2 LEU 97 2.524 -12.275 -26.875 840 3HD2 LEU 97 3HD2 LEU 97 3.417 -12.801 -25.437 841 H LEU 98 H LEU 98 -0.182 -8.401 -26.624 842 HA LEU 98 HA LEU 98 2.011 -7.113 -25.569 843 1HB LEU 98 HB2 LEU 98 1.166 -6.672 -27.795 844 2HB LEU 98 HB3 LEU 98 -0.312 -5.953 -27.145 845 HG LEU 98 HG LEU 98 0.979 -4.070 -26.208 846 1HD1 LEU 98 1HD1 LEU 98 3.366 -3.768 -26.875 847 2HD1 LEU 98 2HD1 LEU 98 3.162 -5.122 -25.761 848 3HD1 LEU 98 3HD1 LEU 98 3.393 -5.430 -27.497 849 1HD2 LEU 98 1HD2 LEU 98 1.568 -3.029 -28.356 850 2HD2 LEU 98 2HD2 LEU 98 1.568 -4.620 -29.145 851 3HD2 LEU 98 3HD2 LEU 98 0.058 -3.950 -28.491 852 H LEU 99 H LEU 99 -1.441 -6.340 -24.850 853 HA LEU 99 HA LEU 99 -0.754 -4.158 -23.155 854 1HB LEU 99 HB2 LEU 99 -2.973 -4.630 -24.253 855 2HB LEU 99 HB3 LEU 99 -3.331 -5.786 -22.983 856 HG LEU 99 HG LEU 99 -4.366 -3.570 -22.665 857 1HD1 LEU 99 1HD1 LEU 99 -3.820 -4.965 -20.668 858 2HD1 LEU 99 2HD1 LEU 99 -2.354 -3.966 -20.443 859 3HD1 LEU 99 3HD1 LEU 99 -3.947 -3.220 -20.367 860 1HD2 LEU 99 1HD2 LEU 99 -1.620 -2.402 -22.075 861 2HD2 LEU 99 2HD2 LEU 99 -2.388 -2.269 -23.665 862 3HD2 LEU 99 3HD2 LEU 99 -3.170 -1.566 -22.232 863 H MET 100 H MET 100 -1.688 -7.526 -22.345 864 HA MET 100 HA MET 100 -1.304 -7.518 -19.565 865 1HB MET 100 HB2 MET 100 -0.732 -9.692 -21.611 866 2HB MET 100 HB3 MET 100 -0.783 -9.947 -19.861 867 1HG MET 100 HG2 MET 100 -3.115 -9.193 -19.781 868 2HG MET 100 HG3 MET 100 -3.106 -8.870 -21.520 869 1HE MET 100 HE1 MET 100 -5.330 -10.186 -21.797 870 2HE MET 100 HE2 MET 100 -5.571 -11.851 -21.216 871 3HE MET 100 HE3 MET 100 -5.344 -10.527 -20.049 872 H SER 101 H SER 101 1.135 -7.943 -22.102 873 HA SER 101 HA SER 101 3.363 -8.403 -20.428 874 1HB SER 101 HB2 SER 101 3.238 -8.941 -22.856 875 2HB SER 101 HB3 SER 101 3.337 -7.208 -23.225 876 HG SER 101 HG SER 101 5.336 -7.318 -21.871 877 H THR 102 H THR 102 1.643 -5.424 -20.714 878 HA THR 102 HA THR 102 3.746 -3.575 -20.732 879 HB THR 102 HB THR 102 1.111 -3.318 -19.251 880 HG1 THR 102 HG1 THR 102 0.785 -3.719 -21.407 881 1HG2 THR 102 1HG2 THR 102 2.616 -1.540 -18.537 882 2HG2 THR 102 2HG2 THR 102 3.196 -1.304 -20.198 883 3HG2 THR 102 3HG2 THR 102 1.541 -0.844 -19.755 884 H GLU 103 H GLU 103 2.617 -5.613 -18.033 885 HA GLU 103 HA GLU 103 3.996 -4.432 -15.884 886 1HB GLU 103 HB2 GLU 103 3.578 -7.327 -16.706 887 2HB GLU 103 HB3 GLU 103 4.409 -6.901 -15.207 888 1HG GLU 103 HG2 GLU 103 1.559 -6.113 -15.941 889 2HG GLU 103 HG3 GLU 103 2.017 -7.436 -14.869 890 H ASN 104 H ASN 104 5.323 -6.395 -18.577 891 HA ASN 104 HA ASN 104 8.055 -6.185 -17.499 892 1HB ASN 104 HB2 ASN 104 7.124 -8.213 -18.718 893 2HB ASN 104 HB3 ASN 104 7.227 -7.274 -20.210 894 1HD2 ASN 104 2HD2 ASN 104 9.885 -5.909 -19.120 895 2HD2 ASN 104 1HD2 ASN 104 11.030 -7.217 -19.348 896 H GLU 105 H GLU 105 6.128 -4.911 -20.276 897 HA GLU 105 HA GLU 105 8.323 -3.591 -21.479 898 1HB GLU 105 HB2 GLU 105 5.988 -4.206 -22.416 899 2HB GLU 105 HB3 GLU 105 5.481 -2.611 -21.844 900 1HG GLU 105 HG2 GLU 105 7.884 -3.077 -23.691 901 2HG GLU 105 HG3 GLU 105 6.240 -2.859 -24.289 902 H LEU 106 H LEU 106 6.207 -2.497 -18.880 903 HA LEU 106 HA LEU 106 6.881 0.229 -18.732 904 1HB LEU 106 HB2 LEU 106 5.169 -0.901 -17.359 905 2HB LEU 106 HB3 LEU 106 6.427 -1.835 -16.542 906 HG LEU 106 HG LEU 106 7.358 0.335 -15.625 907 1HD1 LEU 106 1HD1 LEU 106 4.806 1.456 -16.880 908 2HD1 LEU 106 2HD1 LEU 106 5.783 2.307 -15.667 909 3HD1 LEU 106 3HD1 LEU 106 6.476 1.947 -17.253 910 1HD2 LEU 106 1HD2 LEU 106 5.779 -1.141 -14.356 911 2HD2 LEU 106 2HD2 LEU 106 5.653 0.574 -13.918 912 3HD2 LEU 106 3HD2 LEU 106 4.434 -0.161 -14.974 913 H LYS 107 H LYS 107 8.709 -2.681 -17.762 914 HA LYS 107 HA LYS 107 10.931 -1.111 -16.618 915 1HB LYS 107 HB2 LYS 107 10.665 -4.101 -17.161 916 2HB LYS 107 HB3 LYS 107 11.965 -3.291 -16.283 917 1HG LYS 107 HG2 LYS 107 10.390 -2.565 -14.537 918 2HG LYS 107 HG3 LYS 107 9.020 -3.200 -15.455 919 1HD LYS 107 HD2 LYS 107 9.520 -4.738 -13.700 920 2HD LYS 107 HD3 LYS 107 9.875 -5.495 -15.258 921 1HE LYS 107 HE2 LYS 107 12.300 -5.097 -14.917 922 2HE LYS 107 HE3 LYS 107 11.959 -4.225 -13.408 923 1HZ LYS 107 HZ1 LYS 107 12.614 -6.491 -13.041 924 2HZ LYS 107 HZ2 LYS 107 11.072 -6.243 -12.515 925 3HZ LYS 107 HZ3 LYS 107 11.342 -7.048 -13.927 926 H GLY 108 H GLY 108 10.383 -3.375 -19.332 927 1HA GLY 108 HA2 GLY 108 12.804 -2.664 -20.793 928 2HA GLY 108 HA3 GLY 108 11.485 -3.723 -21.315 929 H GLN 109 H GLN 109 11.844 -0.309 -20.440 930 HA GLN 109 HA GLN 109 9.727 0.639 -22.062 931 1HB GLN 109 HB2 GLN 109 10.426 2.838 -21.244 932 2HB GLN 109 HB3 GLN 109 10.352 1.609 -19.982 933 1HG GLN 109 HG2 GLN 109 13.010 1.406 -20.552 934 2HG GLN 109 HG3 GLN 109 12.736 3.058 -21.096 935 1HE2 GLN 109 2HE2 GLN 109 12.284 0.834 -18.293 936 2HE2 GLN 109 1HE2 GLN 109 12.388 2.111 -17.089 937 H GLN 110 H GLN 110 10.410 -0.384 -24.094 938 HA GLN 110 HA GLN 110 12.671 0.533 -25.569 939 1HB GLN 110 HB2 GLN 110 11.661 -0.658 -27.458 940 2HB GLN 110 HB3 GLN 110 11.725 -1.613 -25.982 941 1HG GLN 110 HG2 GLN 110 9.496 -1.895 -25.887 942 2HG GLN 110 HG3 GLN 110 9.157 -0.187 -26.175 943 1HE2 GLN 110 2HE2 GLN 110 9.642 0.563 -28.499 944 2HE2 GLN 110 1HE2 GLN 110 8.991 -0.490 -29.764 945 H ALA 111 H ALA 111 12.186 2.901 -25.046 946 HA ALA 111 HA ALA 111 10.321 4.357 -26.700 947 1HB ALA 111 HB1 ALA 111 11.122 5.185 -24.542 948 2HB ALA 111 HB2 ALA 111 12.785 5.269 -25.164 949 3HB ALA 111 HB3 ALA 111 11.528 6.330 -25.836 950 H LEU 112 H LEU 112 11.131 2.987 -28.663 951 HA LEU 112 HA LEU 112 13.538 3.814 -30.028 952 1HB LEU 112 HB2 LEU 112 10.973 2.627 -31.158 953 2HB LEU 112 HB3 LEU 112 12.534 2.699 -31.983 954 HG LEU 112 HG LEU 112 11.954 1.116 -29.433 955 1HD1 LEU 112 1HD1 LEU 112 12.438 0.165 -32.280 956 2HD1 LEU 112 2HD1 LEU 112 12.133 -0.850 -30.853 957 3HD1 LEU 112 3HD1 LEU 112 10.859 0.217 -31.466 958 1HD2 LEU 112 1HD2 LEU 112 14.295 1.770 -29.419 959 2HD2 LEU 112 2HD2 LEU 112 14.199 0.081 -29.928 960 3HD2 LEU 112 3HD2 LEU 112 14.471 1.351 -31.140 Start of MODEL 4 1 1H GLY 1 H1 GLY 1 17.205 -0.095 1.559 2 2H GLY 1 H2 GLY 1 17.385 1.021 0.359 3 3H GLY 1 H3 GLY 1 16.427 1.355 1.657 4 1HA GLY 1 HA2 GLY 1 15.907 -0.734 -0.343 5 2HA GLY 1 HA3 GLY 1 14.900 -0.378 1.070 6 H VAL 2 H VAL 2 16.333 1.208 -1.805 7 HA VAL 2 HA VAL 2 14.469 3.421 -1.763 8 HB VAL 2 HB VAL 2 15.613 4.089 -3.846 9 1HG1 VAL 2 1HG1 VAL 2 16.415 4.785 -1.613 10 2HG1 VAL 2 2HG1 VAL 2 17.469 3.359 -1.536 11 3HG1 VAL 2 3HG1 VAL 2 17.752 4.605 -2.763 12 1HG2 VAL 2 1HG2 VAL 2 16.267 1.810 -4.724 13 2HG2 VAL 2 2HG2 VAL 2 17.608 2.952 -4.621 14 3HG2 VAL 2 3HG2 VAL 2 17.447 1.679 -3.407 15 H ARG 3 H ARG 3 12.760 1.587 -1.673 16 HA ARG 3 HA ARG 3 11.996 -0.170 -3.495 17 1HB ARG 3 HB2 ARG 3 10.857 0.224 -1.400 18 2HB ARG 3 HB3 ARG 3 10.189 1.750 -1.994 19 1HG ARG 3 HG2 ARG 3 8.805 0.593 -3.623 20 2HG ARG 3 HG3 ARG 3 9.548 -0.963 -3.206 21 1HD ARG 3 HD2 ARG 3 8.621 -0.798 -0.903 22 2HD ARG 3 HD3 ARG 3 8.048 0.838 -1.239 23 HE ARG 3 HE ARG 3 6.180 0.025 -2.180 24 1HH1 ARG 3 2HH1 ARG 3 8.556 -2.592 -2.224 25 2HH1 ARG 3 1HH1 ARG 3 7.429 -3.785 -2.814 26 1HH2 ARG 3 1HH2 ARG 3 4.730 -1.468 -2.900 27 2HH2 ARG 3 2HH2 ARG 3 5.185 -3.125 -3.246 28 H LYS 4 H LYS 4 10.838 3.185 -3.773 29 HA LYS 4 HA LYS 4 9.736 2.569 -6.452 30 1HB LYS 4 HB2 LYS 4 8.792 4.047 -4.269 31 2HB LYS 4 HB3 LYS 4 9.348 5.294 -5.369 32 1HG LYS 4 HG2 LYS 4 7.025 4.852 -5.738 33 2HG LYS 4 HG3 LYS 4 7.901 4.243 -7.170 34 1HD LYS 4 HD2 LYS 4 7.595 1.949 -6.417 35 2HD LYS 4 HD3 LYS 4 7.123 2.517 -4.799 36 1HE LYS 4 HE2 LYS 4 5.087 3.483 -5.653 37 2HE LYS 4 HE3 LYS 4 5.490 3.012 -7.304 38 1HZ LYS 4 HZ1 LYS 4 5.374 0.741 -6.664 39 2HZ LYS 4 HZ2 LYS 4 5.127 1.136 -5.077 40 3HZ LYS 4 HZ3 LYS 4 3.986 1.520 -6.202 41 H GLY 5 H GLY 5 12.781 3.262 -5.681 42 1HA GLY 5 HA2 GLY 5 14.494 4.307 -6.766 43 2HA GLY 5 HA3 GLY 5 13.407 4.713 -8.101 44 H TRP 6 H TRP 6 11.828 6.483 -7.609 45 HA TRP 6 HA TRP 6 13.096 8.925 -6.938 46 1HB TRP 6 HB2 TRP 6 10.942 9.929 -7.116 47 2HB TRP 6 HB3 TRP 6 11.127 8.730 -8.381 48 HD1 TRP 6 HD1 TRP 6 9.374 6.771 -8.455 49 HE1 TRP 6 HE1 TRP 6 7.118 6.358 -7.271 50 HE3 TRP 6 HE3 TRP 6 9.719 10.240 -4.690 51 HZ2 TRP 6 HZ2 TRP 6 5.726 7.285 -4.980 52 HZ3 TRP 6 HZ3 TRP 6 7.854 10.453 -3.048 53 HH2 TRP 6 HH2 TRP 6 5.901 8.964 -3.171 54 H HIS 7 H HIS 7 11.236 6.700 -5.046 55 HA HIS 7 HA HIS 7 10.734 7.608 -2.564 56 1HB HIS 7 HB2 HIS 7 10.483 5.328 -3.207 57 2HB HIS 7 HB3 HIS 7 12.215 5.127 -3.513 58 HD2 HIS 7 HD2 HIS 7 9.840 3.901 -1.211 59 HE1 HIS 7 HE1 HIS 7 13.377 4.226 1.130 60 HE2 HIS 7 HE2 HIS 7 11.065 3.174 0.997 61 H GLU 8 H GLU 8 14.064 6.951 -3.803 62 HA GLU 8 HA GLU 8 15.456 7.159 -1.432 63 1HB GLU 8 HB2 GLU 8 17.408 7.472 -2.764 64 2HB GLU 8 HB3 GLU 8 16.307 6.440 -3.683 65 1HG GLU 8 HG2 GLU 8 15.552 8.539 -4.919 66 2HG GLU 8 HG3 GLU 8 16.883 9.400 -4.118 67 H HIS 9 H HIS 9 14.186 9.825 -3.400 68 HA HIS 9 HA HIS 9 15.640 11.879 -1.900 69 1HB HIS 9 HB2 HIS 9 13.365 12.064 -3.911 70 2HB HIS 9 HB3 HIS 9 14.222 13.413 -3.164 71 HD2 HIS 9 HD2 HIS 9 14.764 10.538 -5.644 72 HE1 HIS 9 HE1 HIS 9 18.143 13.093 -6.021 73 HE2 HIS 9 HE2 HIS 9 17.010 10.987 -6.925 74 H VAL 10 H VAL 10 12.324 10.676 -2.274 75 HA VAL 10 HA VAL 10 11.292 12.474 -0.218 76 HB VAL 10 HB VAL 10 9.833 10.310 -1.744 77 1HG1 VAL 10 1HG1 VAL 10 8.824 11.213 0.445 78 2HG1 VAL 10 2HG1 VAL 10 8.864 12.814 -0.295 79 3HG1 VAL 10 3HG1 VAL 10 7.862 11.529 -1.003 80 1HG2 VAL 10 1HG2 VAL 10 10.305 13.290 -2.287 81 2HG2 VAL 10 2HG2 VAL 10 10.728 11.936 -3.348 82 3HG2 VAL 10 3HG2 VAL 10 9.030 12.358 -3.074 83 H THR 11 H THR 11 12.663 11.793 1.334 84 HA THR 11 HA THR 11 12.541 9.217 2.657 85 HB THR 11 HB THR 11 13.843 10.626 4.426 86 HG1 THR 11 HG1 THR 11 14.167 12.463 2.321 87 1HG2 THR 11 1HG2 THR 11 14.960 9.164 2.789 88 2HG2 THR 11 2HG2 THR 11 14.922 10.460 1.577 89 3HG2 THR 11 3HG2 THR 11 15.880 10.656 3.063 90 H GLN 12 H GLN 12 11.925 9.007 4.946 91 HA GLN 12 HA GLN 12 9.270 9.428 5.299 92 1HB GLN 12 HB2 GLN 12 10.583 7.780 6.533 93 2HB GLN 12 HB3 GLN 12 11.349 9.074 7.470 94 1HG GLN 12 HG2 GLN 12 9.529 7.952 8.709 95 2HG GLN 12 HG3 GLN 12 9.221 9.674 8.487 96 1HE2 GLN 12 2HE2 GLN 12 6.931 9.844 8.363 97 2HE2 GLN 12 1HE2 GLN 12 5.983 8.843 7.282 98 H ASP 13 H ASP 13 11.853 11.709 6.320 99 HA ASP 13 HA ASP 13 10.209 13.365 7.932 100 1HB ASP 13 HB2 ASP 13 12.520 14.177 6.082 101 2HB ASP 13 HB3 ASP 13 11.916 15.076 7.477 102 H LEU 14 H LEU 14 10.752 13.423 4.352 103 HA LEU 14 HA LEU 14 9.056 15.760 4.043 104 1HB LEU 14 HB2 LEU 14 10.757 15.391 2.405 105 2HB LEU 14 HB3 LEU 14 10.145 13.776 2.031 106 HG LEU 14 HG LEU 14 8.166 14.659 1.022 107 1HD1 LEU 14 1HD1 LEU 14 7.672 17.037 0.740 108 2HD1 LEU 14 2HD1 LEU 14 7.682 16.647 2.451 109 3HD1 LEU 14 3HD1 LEU 14 9.059 17.490 1.736 110 1HD2 LEU 14 1HD2 LEU 14 10.377 14.698 -0.277 111 2HD2 LEU 14 2HD2 LEU 14 9.070 15.717 -0.902 112 3HD2 LEU 14 3HD2 LEU 14 10.407 16.449 0.000 113 H ARG 15 H ARG 15 8.613 12.197 3.729 114 HA ARG 15 HA ARG 15 5.896 12.210 2.923 115 1HB ARG 15 HB2 ARG 15 7.166 10.314 4.933 116 2HB ARG 15 HB3 ARG 15 5.672 10.054 4.045 117 1HG ARG 15 HG2 ARG 15 6.932 10.096 1.889 118 2HG ARG 15 HG3 ARG 15 8.437 10.320 2.783 119 1HD ARG 15 HD2 ARG 15 8.320 8.002 2.356 120 2HD ARG 15 HD3 ARG 15 7.923 8.188 4.052 121 HE ARG 15 HE ARG 15 5.774 8.056 1.982 122 1HH1 ARG 15 1HH1 ARG 15 7.038 6.738 5.077 123 2HH1 ARG 15 2HH1 ARG 15 5.916 5.416 5.053 124 1HH2 ARG 15 1HH2 ARG 15 4.295 6.430 2.085 125 2HH2 ARG 15 2HH2 ARG 15 4.272 5.285 3.402 126 H SER 16 H SER 16 7.250 12.421 6.195 127 HA SER 16 HA SER 16 4.853 12.611 7.690 128 1HB SER 16 HB2 SER 16 7.636 13.668 8.289 129 2HB SER 16 HB3 SER 16 6.368 13.479 9.477 130 HG SER 16 HG SER 16 7.685 11.508 7.960 131 H HIS 17 H HIS 17 6.998 15.180 6.347 132 HA HIS 17 HA HIS 17 5.491 17.384 7.282 133 1HB HIS 17 HB2 HIS 17 7.845 17.224 6.191 134 2HB HIS 17 HB3 HIS 17 7.002 17.383 4.652 135 HD2 HIS 17 HD2 HIS 17 4.889 19.729 5.908 136 HE1 HIS 17 HE1 HIS 17 8.485 21.962 6.202 137 HE2 HIS 17 HE2 HIS 17 5.951 22.095 6.180 138 H LEU 18 H LEU 18 5.236 15.505 4.221 139 HA LEU 18 HA LEU 18 3.081 17.030 3.123 140 1HB LEU 18 HB2 LEU 18 4.048 14.197 2.656 141 2HB LEU 18 HB3 LEU 18 2.750 14.938 1.701 142 HG LEU 18 HG LEU 18 5.538 16.140 1.978 143 1HD1 LEU 18 1HD1 LEU 18 4.426 14.338 -0.191 144 2HD1 LEU 18 2HD1 LEU 18 6.002 15.161 -0.240 145 3HD1 LEU 18 3HD1 LEU 18 5.702 13.901 0.975 146 1HD2 LEU 18 1HD2 LEU 18 4.973 17.317 -0.087 147 2HD2 LEU 18 2HD2 LEU 18 3.355 16.584 -0.093 148 3HD2 LEU 18 3HD2 LEU 18 3.812 17.738 1.178 149 H VAL 19 H VAL 19 3.029 14.012 5.092 150 HA VAL 19 HA VAL 19 0.240 13.743 5.356 151 HB VAL 19 HB VAL 19 2.551 13.134 7.205 152 1HG1 VAL 19 1HG1 VAL 19 1.086 11.823 8.620 153 2HG1 VAL 19 2HG1 VAL 19 0.602 13.515 8.700 154 3HG1 VAL 19 3HG1 VAL 19 -0.338 12.365 7.718 155 1HG2 VAL 19 1HG2 VAL 19 0.620 11.358 5.646 156 2HG2 VAL 19 2HG2 VAL 19 2.260 11.779 5.135 157 3HG2 VAL 19 3HG2 VAL 19 2.026 10.820 6.595 158 H HIS 20 H HIS 20 2.462 15.794 7.355 159 HA HIS 20 HA HIS 20 0.437 16.966 8.935 160 1HB HIS 20 HB2 HIS 20 2.903 17.219 9.296 161 2HB HIS 20 HB3 HIS 20 2.954 18.319 7.927 162 HD2 HIS 20 HD2 HIS 20 3.987 20.068 9.600 163 HE1 HIS 20 HE1 HIS 20 0.563 20.693 12.033 164 HE2 HIS 20 HE2 HIS 20 2.893 21.540 11.485 165 H LYS 21 H LYS 21 1.714 18.064 5.717 166 HA LYS 21 HA LYS 21 -0.085 20.242 5.436 167 1HB LYS 21 HB2 LYS 21 1.054 18.448 3.266 168 2HB LYS 21 HB3 LYS 21 0.153 19.929 2.976 169 1HG LYS 21 HG2 LYS 21 2.852 19.755 4.355 170 2HG LYS 21 HG3 LYS 21 2.482 20.251 2.711 171 1HD LYS 21 HD2 LYS 21 1.026 22.116 3.615 172 2HD LYS 21 HD3 LYS 21 1.621 21.711 5.237 173 1HE LYS 21 HE2 LYS 21 2.886 23.571 4.347 174 2HE LYS 21 HE3 LYS 21 3.946 22.157 4.497 175 1HZ LYS 21 HZ1 LYS 21 4.223 23.358 2.434 176 2HZ LYS 21 HZ2 LYS 21 3.747 21.806 2.160 177 3HZ LYS 21 HZ3 LYS 21 2.671 23.040 1.985 178 H LEU 22 H LEU 22 -0.644 16.752 4.653 179 HA LEU 22 HA LEU 22 -3.245 17.148 3.526 180 1HB LEU 22 HB2 LEU 22 -2.282 14.834 5.247 181 2HB LEU 22 HB3 LEU 22 -3.783 14.874 4.345 182 HG LEU 22 HG LEU 22 -1.000 14.926 3.121 183 1HD1 LEU 22 1HD1 LEU 22 -1.637 12.635 2.378 184 2HD1 LEU 22 2HD1 LEU 22 -1.581 12.766 4.143 185 3HD1 LEU 22 3HD1 LEU 22 -3.146 12.782 3.305 186 1HD2 LEU 22 1HD2 LEU 22 -3.810 14.822 1.889 187 2HD2 LEU 22 2HD2 LEU 22 -2.607 16.113 1.694 188 3HD2 LEU 22 3HD2 LEU 22 -2.315 14.530 0.984 189 H VAL 23 H VAL 23 -2.264 16.570 6.941 190 HA VAL 23 HA VAL 23 -4.871 16.810 7.991 191 HB VAL 23 HB VAL 23 -2.282 17.573 9.382 192 1HG1 VAL 23 1HG1 VAL 23 -5.072 16.960 10.472 193 2HG1 VAL 23 2HG1 VAL 23 -3.611 17.138 11.462 194 3HG1 VAL 23 3HG1 VAL 23 -4.241 18.522 10.565 195 1HG2 VAL 23 1HG2 VAL 23 -3.888 14.972 9.396 196 2HG2 VAL 23 2HG2 VAL 23 -2.313 15.198 8.616 197 3HG2 VAL 23 3HG2 VAL 23 -2.442 15.318 10.368 198 H GLN 24 H GLN 24 -2.410 19.451 7.592 199 HA GLN 24 HA GLN 24 -4.131 21.532 8.527 200 1HB GLN 24 HB2 GLN 24 -1.941 21.751 6.396 201 2HB GLN 24 HB3 GLN 24 -2.666 23.075 7.314 202 1HG GLN 24 HG2 GLN 24 -0.784 20.930 8.315 203 2HG GLN 24 HG3 GLN 24 -0.584 22.674 8.331 204 1HE2 GLN 24 2HE2 GLN 24 -1.123 20.153 10.401 205 2HE2 GLN 24 1HE2 GLN 24 -2.050 21.053 11.620 206 H ALA 25 H ALA 25 -3.617 20.415 5.161 207 HA ALA 25 HA ALA 25 -5.195 22.450 3.993 208 1HB ALA 25 HB1 ALA 25 -5.092 21.118 1.981 209 2HB ALA 25 HB2 ALA 25 -3.512 21.095 2.781 210 3HB ALA 25 HB3 ALA 25 -4.582 19.676 2.897 211 H ILE 26 H ILE 26 -6.075 19.173 5.169 212 HA ILE 26 HA ILE 26 -8.867 19.423 4.381 213 HB ILE 26 HB ILE 26 -7.480 17.643 6.430 214 1HG1 ILE 26 2HG1 ILE 26 -8.357 16.929 3.602 215 2HG1 ILE 26 3HG1 ILE 26 -6.717 17.445 3.959 216 1HG2 ILE 26 1HG2 ILE 26 -10.240 17.431 5.141 217 2HG2 ILE 26 2HG2 ILE 26 -9.509 16.210 6.201 218 3HG2 ILE 26 3HG2 ILE 26 -9.916 17.792 6.846 219 1HD1 ILE 26 1HD1 ILE 26 -8.047 14.959 5.081 220 2HD1 ILE 26 2HD1 ILE 26 -6.691 15.069 3.951 221 3HD1 ILE 26 3HD1 ILE 26 -6.481 15.604 5.630 222 H PHE 27 H PHE 27 -7.019 19.791 7.388 223 HA PHE 27 HA PHE 27 -9.188 21.285 8.777 224 1HB PHE 27 HB2 PHE 27 -9.189 18.751 9.055 225 2HB PHE 27 HB3 PHE 27 -7.641 18.896 9.853 226 HD1 PHE 27 HD1 PHE 27 -7.562 20.405 12.031 227 HD2 PHE 27 HD2 PHE 27 -11.154 18.768 10.273 228 HE1 PHE 27 HE1 PHE 27 -8.637 20.423 14.220 229 HE2 PHE 27 HE2 PHE 27 -12.213 18.741 12.497 230 HZ PHE 27 HZ PHE 27 -10.992 19.630 14.482 231 HA PRO 28 HA PRO 28 -5.038 23.344 9.359 232 1HB PRO 28 HB2 PRO 28 -6.933 25.540 10.053 233 2HB PRO 28 HB3 PRO 28 -5.409 25.645 9.132 234 1HG PRO 28 HG2 PRO 28 -7.792 25.702 7.822 235 2HG PRO 28 HG3 PRO 28 -6.461 24.687 7.191 236 1HD PRO 28 HD2 PRO 28 -8.834 23.816 8.863 237 2HD PRO 28 HD3 PRO 28 -8.146 23.055 7.398 238 H THR 29 H THR 29 -4.018 22.963 11.381 239 HA THR 29 HA THR 29 -5.738 22.563 13.726 240 HB THR 29 HB THR 29 -3.617 21.732 14.704 241 HG1 THR 29 HG1 THR 29 -2.357 23.064 13.141 242 1HG2 THR 29 1HG2 THR 29 -4.364 20.518 12.004 243 2HG2 THR 29 2HG2 THR 29 -3.548 19.695 13.351 244 3HG2 THR 29 3HG2 THR 29 -5.227 20.253 13.534 245 HA PRO 30 HA PRO 30 -4.793 26.799 15.146 246 1HB PRO 30 HB2 PRO 30 -5.675 25.455 17.706 247 2HB PRO 30 HB3 PRO 30 -6.037 27.110 17.137 248 1HG PRO 30 HG2 PRO 30 -7.890 25.166 16.808 249 2HG PRO 30 HG3 PRO 30 -7.519 26.258 15.438 250 1HD PRO 30 HD2 PRO 30 -6.499 23.446 15.906 251 2HD PRO 30 HD3 PRO 30 -7.130 24.201 14.412 252 H ASP 31 H ASP 31 -3.695 23.820 16.874 253 HA ASP 31 HA ASP 31 -1.076 25.104 17.335 254 1HB ASP 31 HB2 ASP 31 -2.589 25.443 19.363 255 2HB ASP 31 HB3 ASP 31 -2.596 23.691 19.558 256 HA PRO 32 HA PRO 32 0.149 20.949 15.928 257 1HB PRO 32 HB2 PRO 32 2.416 21.615 17.835 258 2HB PRO 32 HB3 PRO 32 2.506 20.781 16.255 259 1HG PRO 32 HG2 PRO 32 3.090 23.419 16.389 260 2HG PRO 32 HG3 PRO 32 2.010 22.834 15.088 261 1HD PRO 32 HD2 PRO 32 1.242 24.193 17.678 262 2HD PRO 32 HD3 PRO 32 0.609 24.449 16.025 263 H ALA 33 H ALA 33 0.346 21.843 19.438 264 HA ALA 33 HA ALA 33 0.437 19.240 20.493 265 1HB ALA 33 HB1 ALA 33 0.771 21.310 21.807 266 2HB ALA 33 HB2 ALA 33 -0.961 21.685 21.652 267 3HB ALA 33 HB3 ALA 33 -0.440 20.244 22.548 268 H ALA 34 H ALA 34 -2.283 20.991 19.083 269 HA ALA 34 HA ALA 34 -4.427 19.517 20.218 270 1HB ALA 34 HB1 ALA 34 -4.593 21.691 18.940 271 2HB ALA 34 HB2 ALA 34 -4.335 20.760 17.445 272 3HB ALA 34 HB3 ALA 34 -5.759 20.440 18.447 273 H LEU 35 H LEU 35 -2.060 18.644 17.744 274 HA LEU 35 HA LEU 35 -3.449 16.615 16.372 275 1HB LEU 35 HB2 LEU 35 -0.530 16.776 17.174 276 2HB LEU 35 HB3 LEU 35 -1.179 15.629 16.006 277 HG LEU 35 HG LEU 35 -1.409 18.650 15.617 278 1HD1 LEU 35 1HD1 LEU 35 0.672 16.713 14.516 279 2HD1 LEU 35 2HD1 LEU 35 0.497 18.424 14.072 280 3HD1 LEU 35 3HD1 LEU 35 0.975 17.983 15.719 281 1HD2 LEU 35 1HD2 LEU 35 -1.711 16.308 13.696 282 2HD2 LEU 35 2HD2 LEU 35 -3.022 17.349 14.292 283 3HD2 LEU 35 3HD2 LEU 35 -1.754 18.028 13.262 284 H LYS 36 H LYS 36 -2.280 16.642 19.716 285 HA LYS 36 HA LYS 36 -2.198 13.791 20.068 286 1HB LYS 36 HB2 LYS 36 -2.556 16.080 22.026 287 2HB LYS 36 HB3 LYS 36 -2.246 14.397 22.464 288 1HG LYS 36 HG2 LYS 36 -0.106 14.418 21.264 289 2HG LYS 36 HG3 LYS 36 -0.386 16.100 20.773 290 1HD LYS 36 HD2 LYS 36 -0.413 16.816 23.140 291 2HD LYS 36 HD3 LYS 36 -0.216 15.136 23.664 292 1HE LYS 36 HE2 LYS 36 1.934 16.280 23.779 293 2HE LYS 36 HE3 LYS 36 1.995 15.026 22.531 294 1HZ LYS 36 HZ1 LYS 36 1.650 16.734 20.893 295 2HZ LYS 36 HZ2 LYS 36 1.566 17.896 22.059 296 3HZ LYS 36 HZ3 LYS 36 2.975 17.078 21.808 297 H ASP 37 H ASP 37 -4.903 16.023 19.808 298 HA ASP 37 HA ASP 37 -6.733 14.680 21.554 299 1HB ASP 37 HB2 ASP 37 -7.137 16.943 20.714 300 2HB ASP 37 HB3 ASP 37 -7.187 16.348 19.048 301 H ARG 38 H ARG 38 -7.924 12.826 21.259 302 HA ARG 38 HA ARG 38 -7.148 10.834 19.631 303 1HB ARG 38 HB2 ARG 38 -8.620 10.655 21.602 304 2HB ARG 38 HB3 ARG 38 -9.973 11.279 20.656 305 1HG ARG 38 HG2 ARG 38 -10.081 8.870 20.964 306 2HG ARG 38 HG3 ARG 38 -9.969 9.259 19.250 307 1HD ARG 38 HD2 ARG 38 -7.468 8.587 20.862 308 2HD ARG 38 HD3 ARG 38 -8.548 7.308 20.270 309 HE ARG 38 HE ARG 38 -7.910 9.112 18.139 310 1HH1 ARG 38 1HH2 ARG 38 -6.290 6.708 20.131 311 2HH1 ARG 38 2HH2 ARG 38 -5.365 6.023 18.822 312 1HH2 ARG 38 1HH1 ARG 38 -6.846 8.144 16.385 313 2HH2 ARG 38 2HH1 ARG 38 -5.649 6.902 16.643 314 H ARG 39 H ARG 39 -9.744 13.160 18.749 315 HA ARG 39 HA ARG 39 -10.503 11.858 16.297 316 1HB ARG 39 HB2 ARG 39 -10.755 14.733 17.274 317 2HB ARG 39 HB3 ARG 39 -11.301 14.200 15.697 318 1HG ARG 39 HG2 ARG 39 -13.132 14.280 17.316 319 2HG ARG 39 HG3 ARG 39 -12.906 12.694 16.582 320 1HD ARG 39 HD2 ARG 39 -13.493 12.566 18.943 321 2HD ARG 39 HD3 ARG 39 -11.928 11.807 18.626 322 HE ARG 39 HE ARG 39 -11.339 14.443 19.374 323 1HH1 ARG 39 1HH2 ARG 39 -12.960 11.657 20.826 324 2HH1 ARG 39 2HH2 ARG 39 -12.606 12.123 22.466 325 1HH2 ARG 39 1HH1 ARG 39 -10.863 15.069 21.537 326 2HH2 ARG 39 2HH1 ARG 39 -11.406 14.089 22.869 327 H MET 40 H MET 40 -7.996 14.314 17.128 328 HA MET 40 HA MET 40 -7.226 14.727 14.372 329 1HB MET 40 HB2 MET 40 -5.766 15.309 16.993 330 2HB MET 40 HB3 MET 40 -5.211 15.722 15.377 331 1HG MET 40 HG2 MET 40 -7.707 16.774 16.746 332 2HG MET 40 HG3 MET 40 -6.211 17.647 16.389 333 1HE MET 40 HE1 MET 40 -5.825 16.440 13.214 334 2HE MET 40 HE2 MET 40 -6.373 17.967 12.487 335 3HE MET 40 HE3 MET 40 -5.332 17.991 13.931 336 H GLU 41 H GLU 41 -6.034 12.655 17.075 337 HA GLU 41 HA GLU 41 -3.921 11.471 15.661 338 1HB GLU 41 HB2 GLU 41 -5.763 10.201 17.717 339 2HB GLU 41 HB3 GLU 41 -4.236 9.506 17.155 340 1HG GLU 41 HG2 GLU 41 -3.029 11.538 17.953 341 2HG GLU 41 HG3 GLU 41 -4.541 12.179 18.594 342 H ASN 42 H ASN 42 -7.383 10.643 15.576 343 HA ASN 42 HA ASN 42 -7.103 8.463 13.687 344 1HB ASN 42 HB2 ASN 42 -9.463 10.243 14.379 345 2HB ASN 42 HB3 ASN 42 -9.513 9.070 13.064 346 1HD2 ASN 42 2HD2 ASN 42 -9.116 9.392 16.592 347 2HD2 ASN 42 1HD2 ASN 42 -9.478 7.705 16.932 348 H LEU 43 H LEU 43 -7.694 11.998 13.151 349 HA LEU 43 HA LEU 43 -7.858 11.723 10.321 350 1HB LEU 43 HB2 LEU 43 -8.682 13.682 11.539 351 2HB LEU 43 HB3 LEU 43 -7.031 14.124 11.992 352 HG LEU 43 HG LEU 43 -6.446 14.555 9.653 353 1HD1 LEU 43 1HD1 LEU 43 -9.328 13.762 9.027 354 2HD1 LEU 43 2HD1 LEU 43 -8.231 14.590 7.903 355 3HD1 LEU 43 3HD1 LEU 43 -7.855 12.951 8.435 356 1HD2 LEU 43 1HD2 LEU 43 -9.080 15.889 10.418 357 2HD2 LEU 43 2HD2 LEU 43 -7.476 16.363 11.008 358 3HD2 LEU 43 3HD2 LEU 43 -7.863 16.511 9.281 359 H VAL 44 H VAL 44 -5.115 12.302 12.465 360 HA VAL 44 HA VAL 44 -3.013 12.589 10.575 361 HB VAL 44 HB VAL 44 -3.178 11.586 13.424 362 1HG1 VAL 44 1HG1 VAL 44 -0.687 11.859 13.511 363 2HG1 VAL 44 2HG1 VAL 44 -1.195 10.507 12.497 364 3HG1 VAL 44 3HG1 VAL 44 -0.678 12.034 11.743 365 1HG2 VAL 44 1HG2 VAL 44 -2.272 13.710 14.044 366 2HG2 VAL 44 2HG2 VAL 44 -1.914 14.134 12.357 367 3HG2 VAL 44 3HG2 VAL 44 -3.589 14.069 12.923 368 H ALA 45 H ALA 45 -4.316 9.657 12.279 369 HA ALA 45 HA ALA 45 -2.686 7.775 10.964 370 1HB ALA 45 HB1 ALA 45 -5.552 7.394 11.922 371 2HB ALA 45 HB2 ALA 45 -4.372 6.119 11.576 372 3HB ALA 45 HB3 ALA 45 -4.088 7.247 12.916 373 H TYR 46 H TYR 46 -5.922 9.027 9.976 374 HA TYR 46 HA TYR 46 -6.137 7.586 7.550 375 1HB TYR 46 HB2 TYR 46 -7.987 8.897 8.499 376 2HB TYR 46 HB3 TYR 46 -7.129 10.400 8.195 377 HD1 TYR 46 HD1 TYR 46 -7.052 11.398 5.978 378 HD2 TYR 46 HD2 TYR 46 -8.754 7.478 6.553 379 HE1 TYR 46 HE1 TYR 46 -7.806 11.374 3.616 380 HE2 TYR 46 HE2 TYR 46 -9.514 7.461 4.202 381 HH TYR 46 HH TYR 46 -9.531 8.571 2.211 382 H ALA 47 H ALA 47 -4.699 10.836 8.124 383 HA ALA 47 HA ALA 47 -3.884 11.334 5.482 384 1HB ALA 47 HB1 ALA 47 -2.297 12.941 6.516 385 2HB ALA 47 HB2 ALA 47 -3.935 13.063 7.185 386 3HB ALA 47 HB3 ALA 47 -2.656 12.256 8.111 387 H LYS 48 H LYS 48 -2.061 9.696 8.120 388 HA LYS 48 HA LYS 48 0.316 9.158 6.646 389 1HB LYS 48 HB2 LYS 48 -1.031 7.677 8.938 390 2HB LYS 48 HB3 LYS 48 0.530 7.205 8.251 391 1HG LYS 48 HG2 LYS 48 1.489 9.387 8.784 392 2HG LYS 48 HG3 LYS 48 -0.065 9.944 9.442 393 1HD LYS 48 HD2 LYS 48 0.005 8.230 11.186 394 2HD LYS 48 HD3 LYS 48 1.493 7.541 10.502 395 1HE LYS 48 HE2 LYS 48 2.713 9.637 10.957 396 2HE LYS 48 HE3 LYS 48 1.234 10.389 11.580 397 1HZ LYS 48 HZ1 LYS 48 2.581 8.048 12.731 398 2HZ LYS 48 HZ2 LYS 48 2.613 9.582 13.331 399 3HZ LYS 48 HZ3 LYS 48 1.199 8.738 13.307 400 H LYS 49 H LYS 49 -2.600 7.112 7.140 401 HA LYS 49 HA LYS 49 -1.837 4.918 5.587 402 1HB LYS 49 HB2 LYS 49 -3.828 5.176 7.107 403 2HB LYS 49 HB3 LYS 49 -4.647 6.058 5.825 404 1HG LYS 49 HG2 LYS 49 -4.461 4.108 4.342 405 2HG LYS 49 HG3 LYS 49 -3.579 3.213 5.598 406 1HD LYS 49 HD2 LYS 49 -5.549 3.339 7.095 407 2HD LYS 49 HD3 LYS 49 -6.407 4.333 5.910 408 1HE LYS 49 HE2 LYS 49 -7.207 2.034 5.782 409 2HE LYS 49 HE3 LYS 49 -6.372 2.461 4.280 410 1HZ LYS 49 HZ1 LYS 49 -5.763 0.298 5.080 411 2HZ LYS 49 HZ2 LYS 49 -4.452 1.294 5.092 412 3HZ LYS 49 HZ3 LYS 49 -5.219 0.922 6.504 413 H VAL 50 H VAL 50 -3.761 7.745 4.595 414 HA VAL 50 HA VAL 50 -3.937 6.963 1.894 415 HB VAL 50 HB VAL 50 -5.207 8.836 3.404 416 1HG1 VAL 50 1HG1 VAL 50 -3.648 10.477 1.366 417 2HG1 VAL 50 2HG1 VAL 50 -4.979 11.024 2.400 418 3HG1 VAL 50 3HG1 VAL 50 -3.442 10.538 3.135 419 1HG2 VAL 50 1HG2 VAL 50 -6.446 9.374 1.393 420 2HG2 VAL 50 2HG2 VAL 50 -5.174 8.644 0.384 421 3HG2 VAL 50 3HG2 VAL 50 -6.121 7.639 1.506 422 H GLU 51 H GLU 51 -1.552 9.270 3.434 423 HA GLU 51 HA GLU 51 -0.124 9.777 1.076 424 1HB GLU 51 HB2 GLU 51 0.189 10.998 3.142 425 2HB GLU 51 HB3 GLU 51 0.854 9.568 3.937 426 1HG GLU 51 HG2 GLU 51 2.089 10.707 1.387 427 2HG GLU 51 HG3 GLU 51 2.486 11.395 2.956 428 H GLY 52 H GLY 52 0.144 6.998 3.342 429 1HA GLY 52 HA2 GLY 52 2.236 5.582 2.090 430 2HA GLY 52 HA3 GLY 52 0.857 4.856 2.934 431 H ASP 53 H ASP 53 -1.295 5.350 1.471 432 HA ASP 53 HA ASP 53 -1.209 3.586 -0.708 433 1HB ASP 53 HB2 ASP 53 -3.290 4.287 0.438 434 2HB ASP 53 HB3 ASP 53 -3.157 5.888 -0.313 435 H MET 54 H MET 54 -1.025 7.174 -0.754 436 HA MET 54 HA MET 54 -0.735 7.445 -3.575 437 1HB MET 54 HB2 MET 54 0.315 9.237 -1.344 438 2HB MET 54 HB3 MET 54 0.243 9.650 -3.040 439 1HG MET 54 HG2 MET 54 -1.957 9.503 -1.041 440 2HG MET 54 HG3 MET 54 -1.696 10.616 -2.366 441 1HE MET 54 HE1 MET 54 -4.045 10.841 -2.974 442 2HE MET 54 HE2 MET 54 -5.226 9.516 -3.189 443 3HE MET 54 HE3 MET 54 -4.502 9.816 -1.583 444 H TYR 55 H TYR 55 1.754 7.127 -1.031 445 HA TYR 55 HA TYR 55 4.035 7.418 -2.619 446 1HB TYR 55 HB2 TYR 55 3.753 7.220 -0.068 447 2HB TYR 55 HB3 TYR 55 3.803 5.480 -0.288 448 HD1 TYR 55 HD1 TYR 55 5.684 8.663 -0.874 449 HD2 TYR 55 HD2 TYR 55 5.943 4.422 -0.191 450 HE1 TYR 55 HE1 TYR 55 8.113 8.883 -0.500 451 HE2 TYR 55 HE2 TYR 55 8.326 4.685 0.404 452 HH TYR 55 HH TYR 55 10.037 7.830 0.283 453 H GLU 56 H GLU 56 2.141 4.432 -1.911 454 HA GLU 56 HA GLU 56 3.720 2.764 -3.662 455 1HB GLU 56 HB2 GLU 56 0.925 2.455 -2.498 456 2HB GLU 56 HB3 GLU 56 1.850 1.173 -3.282 457 1HG GLU 56 HG2 GLU 56 2.693 2.645 -0.750 458 2HG GLU 56 HG3 GLU 56 2.008 1.033 -0.826 459 H SER 57 H SER 57 0.645 4.559 -4.158 460 HA SER 57 HA SER 57 0.088 3.370 -6.703 461 1HB SER 57 HB2 SER 57 -0.715 6.112 -5.639 462 2HB SER 57 HB3 SER 57 -1.443 5.263 -7.015 463 HG SER 57 HG SER 57 -1.420 4.425 -4.296 464 H ALA 58 H ALA 58 1.937 6.259 -5.761 465 HA ALA 58 HA ALA 58 2.118 7.278 -8.448 466 1HB ALA 58 HB1 ALA 58 3.524 8.977 -7.370 467 2HB ALA 58 HB2 ALA 58 1.957 8.745 -6.560 468 3HB ALA 58 HB3 ALA 58 3.443 8.077 -5.842 469 H ASN 59 H ASN 59 3.302 5.818 -9.792 470 HA ASN 59 HA ASN 59 5.998 5.014 -9.033 471 1HB ASN 59 HB2 ASN 59 4.324 3.870 -10.645 472 2HB ASN 59 HB3 ASN 59 4.955 4.970 -11.871 473 1HD2 ASN 59 2HD2 ASN 59 7.560 4.992 -11.823 474 2HD2 ASN 59 1HD2 ASN 59 8.282 3.381 -11.727 475 H SER 60 H SER 60 5.697 7.874 -8.731 476 HA SER 60 HA SER 60 8.137 8.694 -9.726 477 1HB SER 60 HB2 SER 60 7.588 10.528 -11.252 478 2HB SER 60 HB3 SER 60 7.102 8.996 -11.970 479 HG SER 60 HG SER 60 4.985 9.431 -11.331 480 H ARG 61 H ARG 61 8.740 10.690 -8.771 481 HA ARG 61 HA ARG 61 7.383 11.575 -6.442 482 1HB ARG 61 HB2 ARG 61 9.783 11.801 -6.990 483 2HB ARG 61 HB3 ARG 61 9.409 13.043 -8.192 484 1HG ARG 61 HG2 ARG 61 8.639 14.558 -6.438 485 2HG ARG 61 HG3 ARG 61 8.713 13.258 -5.226 486 1HD ARG 61 HD2 ARG 61 11.133 13.016 -5.634 487 2HD ARG 61 HD3 ARG 61 11.062 14.362 -6.805 488 HE ARG 61 HE ARG 61 10.033 15.196 -4.269 489 1HH1 ARG 61 1HH2 ARG 61 13.056 14.363 -5.898 490 2HH1 ARG 61 2HH2 ARG 61 14.078 15.186 -4.757 491 1HH2 ARG 61 1HH1 ARG 61 11.347 16.334 -2.791 492 2HH2 ARG 61 2HH1 ARG 61 13.083 16.332 -2.944 493 H ASP 62 H ASP 62 7.496 12.793 -9.783 494 HA ASP 62 HA ASP 62 5.926 15.090 -9.609 495 1HB ASP 62 HB2 ASP 62 5.916 13.070 -11.884 496 2HB ASP 62 HB3 ASP 62 5.492 14.782 -11.978 497 H GLU 63 H GLU 63 4.807 11.738 -10.425 498 HA GLU 63 HA GLU 63 2.061 12.356 -10.356 499 1HB GLU 63 HB2 GLU 63 2.958 10.301 -11.336 500 2HB GLU 63 HB3 GLU 63 3.451 9.720 -9.727 501 1HG GLU 63 HG2 GLU 63 1.375 8.650 -10.489 502 2HG GLU 63 HG3 GLU 63 1.081 9.611 -9.041 503 H TYR 64 H TYR 64 4.225 11.144 -7.737 504 HA TYR 64 HA TYR 64 2.330 10.857 -5.715 505 1HB TYR 64 HB2 TYR 64 4.593 10.094 -5.478 506 2HB TYR 64 HB3 TYR 64 5.223 11.715 -5.636 507 HD1 TYR 64 HD1 TYR 64 2.940 9.711 -3.412 508 HD2 TYR 64 HD2 TYR 64 5.790 12.931 -3.751 509 HE1 TYR 64 HE1 TYR 64 3.213 9.730 -0.950 510 HE2 TYR 64 HE2 TYR 64 6.082 12.928 -1.310 511 HH TYR 64 HH TYR 64 4.557 10.485 0.790 512 H TYR 65 H TYR 65 4.166 13.878 -6.465 513 HA TYR 65 HA TYR 65 2.715 15.464 -4.556 514 1HB TYR 65 HB2 TYR 65 4.411 16.047 -6.971 515 2HB TYR 65 HB3 TYR 65 3.331 17.310 -6.397 516 HD1 TYR 65 HD1 TYR 65 6.357 15.374 -5.545 517 HD2 TYR 65 HD2 TYR 65 3.452 18.215 -4.129 518 HE1 TYR 65 HE1 TYR 65 7.813 15.899 -3.614 519 HE2 TYR 65 HE2 TYR 65 4.933 18.784 -2.220 520 HH TYR 65 HH TYR 65 8.170 17.383 -1.862 521 H HIS 66 H HIS 66 2.107 14.865 -8.059 522 HA HIS 66 HA HIS 66 -0.136 16.517 -8.296 523 1HB HIS 66 HB2 HIS 66 0.926 15.509 -10.228 524 2HB HIS 66 HB3 HIS 66 0.382 13.902 -9.731 525 HD2 HIS 66 HD2 HIS 66 -2.192 13.266 -10.082 526 HE1 HIS 66 HE1 HIS 66 -3.528 16.966 -11.695 527 HE2 HIS 66 HE2 HIS 66 -4.210 14.584 -11.108 528 H LEU 67 H LEU 67 -0.308 12.929 -7.643 529 HA LEU 67 HA LEU 67 -3.119 13.190 -7.271 530 1HB LEU 67 HB2 LEU 67 -3.162 10.860 -6.481 531 2HB LEU 67 HB3 LEU 67 -2.613 11.186 -8.119 532 HG LEU 67 HG LEU 67 -0.326 10.707 -7.554 533 1HD1 LEU 67 1HD1 LEU 67 0.205 9.734 -5.286 534 2HD1 LEU 67 2HD1 LEU 67 -0.119 11.469 -5.283 535 3HD1 LEU 67 3HD1 LEU 67 -1.372 10.348 -4.733 536 1HD2 LEU 67 1HD2 LEU 67 -2.128 8.553 -6.410 537 2HD2 LEU 67 2HD2 LEU 67 -1.849 8.833 -8.146 538 3HD2 LEU 67 3HD2 LEU 67 -0.505 8.337 -7.102 539 H LEU 68 H LEU 68 -0.516 13.531 -4.899 540 HA LEU 68 HA LEU 68 -2.330 13.410 -2.646 541 1HB LEU 68 HB2 LEU 68 0.402 14.655 -3.080 542 2HB LEU 68 HB3 LEU 68 -0.508 14.993 -1.607 543 HG LEU 68 HG LEU 68 0.101 12.157 -2.510 544 1HD1 LEU 68 1HD1 LEU 68 1.827 12.199 -0.701 545 2HD1 LEU 68 2HD1 LEU 68 2.241 13.247 -2.082 546 3HD1 LEU 68 3HD1 LEU 68 1.620 13.953 -0.570 547 1HD2 LEU 68 1HD2 LEU 68 -1.791 12.488 -0.791 548 2HD2 LEU 68 2HD2 LEU 68 -0.400 11.597 -0.179 549 3HD2 LEU 68 3HD2 LEU 68 -0.595 13.302 0.236 550 H ALA 69 H ALA 69 -1.086 16.180 -4.605 551 HA ALA 69 HA ALA 69 -2.673 18.162 -3.301 552 1HB ALA 69 HB1 ALA 69 -2.293 19.493 -5.327 553 2HB ALA 69 HB2 ALA 69 -0.801 18.682 -4.813 554 3HB ALA 69 HB3 ALA 69 -1.721 18.052 -6.198 555 H GLU 70 H GLU 70 -3.404 16.125 -6.170 556 HA GLU 70 HA GLU 70 -5.978 17.127 -6.688 557 1HB GLU 70 HB2 GLU 70 -4.618 15.598 -8.157 558 2HB GLU 70 HB3 GLU 70 -5.054 14.260 -7.070 559 1HG GLU 70 HG2 GLU 70 -7.452 14.657 -7.542 560 2HG GLU 70 HG3 GLU 70 -7.033 15.985 -8.632 561 H LYS 71 H LYS 71 -4.969 14.430 -4.482 562 HA LYS 71 HA LYS 71 -7.545 13.678 -3.646 563 1HB LYS 71 HB2 LYS 71 -5.642 12.347 -3.240 564 2HB LYS 71 HB3 LYS 71 -4.858 13.583 -2.257 565 1HG LYS 71 HG2 LYS 71 -5.724 11.753 -0.920 566 2HG LYS 71 HG3 LYS 71 -6.480 13.282 -0.480 567 1HD LYS 71 HD2 LYS 71 -8.528 12.712 -1.485 568 2HD LYS 71 HD3 LYS 71 -7.820 11.402 -2.453 569 1HE LYS 71 HE2 LYS 71 -7.563 9.977 -0.570 570 2HE LYS 71 HE3 LYS 71 -7.792 11.298 0.588 571 1HZ LYS 71 HZ1 LYS 71 -9.854 10.156 -1.151 572 2HZ LYS 71 HZ2 LYS 71 -9.705 9.986 0.487 573 3HZ LYS 71 HZ3 LYS 71 -10.065 11.457 -0.158 574 H ILE 72 H ILE 72 -5.307 16.096 -2.157 575 HA ILE 72 HA ILE 72 -7.038 17.045 -0.116 576 HB ILE 72 HB ILE 72 -4.998 18.511 -1.830 577 1HG1 ILE 72 2HG1 ILE 72 -4.756 17.504 1.022 578 2HG1 ILE 72 3HG1 ILE 72 -4.135 16.650 -0.407 579 1HG2 ILE 72 1HG2 ILE 72 -6.371 19.491 0.697 580 2HG2 ILE 72 2HG2 ILE 72 -5.010 20.283 -0.158 581 3HG2 ILE 72 3HG2 ILE 72 -6.568 20.154 -0.933 582 1HD1 ILE 72 1HD1 ILE 72 -3.185 19.326 0.651 583 2HD1 ILE 72 2HD1 ILE 72 -2.276 17.833 0.404 584 3HD1 ILE 72 3HD1 ILE 72 -2.837 18.747 -0.996 585 H TYR 73 H TYR 73 -6.633 18.227 -3.442 586 HA TYR 73 HA TYR 73 -8.475 20.291 -3.514 587 1HB TYR 73 HB2 TYR 73 -6.691 19.447 -5.148 588 2HB TYR 73 HB3 TYR 73 -7.933 18.404 -5.818 589 HD1 TYR 73 HD1 TYR 73 -10.207 20.619 -5.647 590 HD2 TYR 73 HD2 TYR 73 -6.122 20.714 -7.032 591 HE1 TYR 73 HE1 TYR 73 -10.874 21.998 -7.574 592 HE2 TYR 73 HE2 TYR 73 -6.823 21.940 -9.021 593 HH TYR 73 HH TYR 73 -8.645 22.622 -10.310 594 H LYS 74 H LYS 74 -9.008 16.880 -4.437 595 HA LYS 74 HA LYS 74 -11.791 17.047 -4.938 596 1HB LYS 74 HB2 LYS 74 -10.055 14.719 -3.993 597 2HB LYS 74 HB3 LYS 74 -11.726 14.527 -4.512 598 1HG LYS 74 HG2 LYS 74 -9.958 15.958 -6.460 599 2HG LYS 74 HG3 LYS 74 -9.536 14.277 -6.132 600 1HD LYS 74 HD2 LYS 74 -10.986 14.316 -8.036 601 2HD LYS 74 HD3 LYS 74 -11.859 13.571 -6.691 602 1HE LYS 74 HE2 LYS 74 -13.063 15.719 -6.295 603 2HE LYS 74 HE3 LYS 74 -12.138 16.476 -7.610 604 1HZ LYS 74 HZ1 LYS 74 -14.304 15.766 -8.301 605 2HZ LYS 74 HZ2 LYS 74 -13.149 14.910 -9.107 606 3HZ LYS 74 HZ3 LYS 74 -13.989 14.208 -7.873 607 H ILE 75 H ILE 75 -10.098 16.015 -1.869 608 HA ILE 75 HA ILE 75 -12.442 15.602 -0.315 609 HB ILE 75 HB ILE 75 -9.737 16.762 0.507 610 1HG1 ILE 75 2HG1 ILE 75 -10.937 13.973 0.897 611 2HG1 ILE 75 3HG1 ILE 75 -9.891 14.370 -0.458 612 1HG2 ILE 75 1HG2 ILE 75 -12.075 15.753 2.196 613 2HG2 ILE 75 2HG2 ILE 75 -10.465 16.116 2.834 614 3HG2 ILE 75 3HG2 ILE 75 -11.441 17.412 2.170 615 1HD1 ILE 75 1HD1 ILE 75 -8.554 13.325 1.243 616 2HD1 ILE 75 2HD1 ILE 75 -8.070 15.024 1.111 617 3HD1 ILE 75 3HD1 ILE 75 -9.073 14.471 2.474 618 H GLN 76 H GLN 76 -10.615 18.711 -0.643 619 HA GLN 76 HA GLN 76 -12.514 20.167 0.839 620 1HB GLN 76 HB2 GLN 76 -10.588 20.942 -1.367 621 2HB GLN 76 HB3 GLN 76 -11.659 22.150 -0.672 622 1HG GLN 76 HG2 GLN 76 -9.616 20.510 0.908 623 2HG GLN 76 HG3 GLN 76 -9.460 22.201 0.425 624 1HE2 GLN 76 2HE2 GLN 76 -9.257 21.567 3.164 625 2HE2 GLN 76 1HE2 GLN 76 -10.685 22.138 3.977 626 H LYS 77 H LYS 77 -12.412 19.775 -2.735 627 HA LYS 77 HA LYS 77 -14.762 21.283 -3.251 628 1HB LYS 77 HB2 LYS 77 -13.330 19.065 -4.743 629 2HB LYS 77 HB3 LYS 77 -14.732 19.860 -5.426 630 1HG LYS 77 HG2 LYS 77 -12.112 21.183 -4.655 631 2HG LYS 77 HG3 LYS 77 -12.704 20.844 -6.287 632 1HD LYS 77 HD2 LYS 77 -13.476 22.967 -6.273 633 2HD LYS 77 HD3 LYS 77 -14.780 22.366 -5.254 634 1HE LYS 77 HE2 LYS 77 -13.225 22.887 -3.225 635 2HE LYS 77 HE3 LYS 77 -12.140 23.658 -4.384 636 1HZ LYS 77 HZ1 LYS 77 -14.920 24.411 -3.807 637 2HZ LYS 77 HZ2 LYS 77 -13.561 25.223 -3.376 638 3HZ LYS 77 HZ3 LYS 77 -13.974 25.115 -4.968 639 H GLU 78 H GLU 78 -14.491 17.751 -3.166 640 HA GLU 78 HA GLU 78 -17.209 17.119 -3.534 641 1HB GLU 78 HB2 GLU 78 -15.034 15.681 -1.953 642 2HB GLU 78 HB3 GLU 78 -16.593 14.968 -2.381 643 1HG GLU 78 HG2 GLU 78 -14.569 15.970 -4.427 644 2HG GLU 78 HG3 GLU 78 -14.737 14.294 -3.904 645 H LEU 79 H LEU 79 -15.349 17.486 -0.485 646 HA LEU 79 HA LEU 79 -17.525 16.923 1.226 647 1HB LEU 79 HB2 LEU 79 -15.039 16.790 1.622 648 2HB LEU 79 HB3 LEU 79 -15.037 18.558 1.792 649 HG LEU 79 HG LEU 79 -16.494 18.281 3.812 650 1HD1 LEU 79 1HD1 LEU 79 -16.629 15.979 4.802 651 2HD1 LEU 79 2HD1 LEU 79 -17.552 16.085 3.296 652 3HD1 LEU 79 3HD1 LEU 79 -15.960 15.303 3.305 653 1HD2 LEU 79 1HD2 LEU 79 -14.041 18.469 3.954 654 2HD2 LEU 79 2HD2 LEU 79 -14.586 17.282 5.155 655 3HD2 LEU 79 3HD2 LEU 79 -13.854 16.738 3.621 656 H GLU 80 H GLU 80 -16.214 20.008 -0.060 657 HA GLU 80 HA GLU 80 -17.904 21.788 1.409 658 1HB GLU 80 HB2 GLU 80 -15.943 22.582 0.266 659 2HB GLU 80 HB3 GLU 80 -16.561 22.062 -1.304 660 1HG GLU 80 HG2 GLU 80 -18.366 23.735 -1.165 661 2HG GLU 80 HG3 GLU 80 -17.848 24.174 0.473 662 H GLU 81 H GLU 81 -18.158 20.685 -1.964 663 HA GLU 81 HA GLU 81 -20.638 21.951 -2.434 664 1HB GLU 81 HB2 GLU 81 -19.145 19.780 -3.928 665 2HB GLU 81 HB3 GLU 81 -20.555 20.640 -4.574 666 1HG GLU 81 HG2 GLU 81 -19.413 22.785 -4.443 667 2HG GLU 81 HG3 GLU 81 -18.025 22.078 -3.612 668 H LYS 82 H LYS 82 -19.932 18.491 -1.679 669 HA LYS 82 HA LYS 82 -22.786 17.856 -2.023 670 1HB LYS 82 HB2 LYS 82 -20.457 16.065 -1.259 671 2HB LYS 82 HB3 LYS 82 -22.108 15.563 -1.651 672 1HG LYS 82 HG2 LYS 82 -21.882 16.622 -3.902 673 2HG LYS 82 HG3 LYS 82 -20.186 17.001 -3.540 674 1HD LYS 82 HD2 LYS 82 -19.709 14.590 -3.203 675 2HD LYS 82 HD3 LYS 82 -21.389 14.192 -3.602 676 1HE LYS 82 HE2 LYS 82 -19.394 15.576 -5.466 677 2HE LYS 82 HE3 LYS 82 -19.840 13.864 -5.522 678 1HZ LYS 82 HZ1 LYS 82 -22.096 14.534 -5.974 679 2HZ LYS 82 HZ2 LYS 82 -21.658 16.124 -5.968 680 3HZ LYS 82 HZ3 LYS 82 -21.055 15.109 -7.115 681 H ARG 83 H ARG 83 -20.439 18.015 0.722 682 HA ARG 83 HA ARG 83 -22.617 17.069 2.523 683 1HB ARG 83 HB2 ARG 83 -20.433 15.914 2.554 684 2HB ARG 83 HB3 ARG 83 -19.659 17.406 3.091 685 1HG ARG 83 HG2 ARG 83 -21.330 17.406 5.032 686 2HG ARG 83 HG3 ARG 83 -21.741 15.756 4.566 687 1HD ARG 83 HD2 ARG 83 -19.391 15.072 4.895 688 2HD ARG 83 HD3 ARG 83 -18.920 16.735 5.267 689 HE ARG 83 HE ARG 83 -20.137 14.815 7.036 690 1HH1 ARG 83 1HH2 ARG 83 -19.921 18.268 6.369 691 2HH1 ARG 83 2HH2 ARG 83 -20.586 18.763 7.898 692 1HH2 ARG 83 1HH1 ARG 83 -20.781 15.436 9.137 693 2HH2 ARG 83 2HH1 ARG 83 -20.888 17.121 9.570 694 H ARG 84 H ARG 84 -20.002 19.504 2.874 695 HA ARG 84 HA ARG 84 -21.215 20.746 5.087 696 1HB ARG 84 HB2 ARG 84 -19.140 21.822 3.162 697 2HB ARG 84 HB3 ARG 84 -19.562 22.566 4.705 698 1HG ARG 84 HG2 ARG 84 -18.890 20.579 5.922 699 2HG ARG 84 HG3 ARG 84 -18.505 19.703 4.435 700 1HD ARG 84 HD2 ARG 84 -17.142 22.297 5.267 701 2HD ARG 84 HD3 ARG 84 -16.535 20.679 5.680 702 HE ARG 84 HE ARG 84 -16.938 20.720 2.894 703 1HH1 ARG 84 1HH1 ARG 84 -14.865 22.258 5.313 704 2HH1 ARG 84 2HH1 ARG 84 -13.513 22.451 4.225 705 1HH2 ARG 84 2HH2 ARG 84 -15.069 20.967 1.444 706 2HH2 ARG 84 1HH2 ARG 84 -13.650 21.756 2.069 707 H SER 85 H SER 85 -21.453 21.552 1.656 708 HA SER 85 HA SER 85 -22.906 23.868 1.537 709 1HB SER 85 HB2 SER 85 -22.305 22.469 -0.397 710 2HB SER 85 HB3 SER 85 -23.488 21.241 0.101 711 HG SER 85 HG SER 85 -24.297 22.604 -1.512 712 H ARG 86 H ARG 86 -24.206 20.653 2.491 713 HA ARG 86 HA ARG 86 -26.858 21.822 3.136 714 1HB ARG 86 HB2 ARG 86 -25.751 19.001 3.150 715 2HB ARG 86 HB3 ARG 86 -27.341 19.436 3.799 716 1HG ARG 86 HG2 ARG 86 -28.068 20.307 1.647 717 2HG ARG 86 HG3 ARG 86 -26.471 20.037 0.930 718 1HD ARG 86 HD2 ARG 86 -28.209 17.827 2.100 719 2HD ARG 86 HD3 ARG 86 -28.192 18.274 0.379 720 HE ARG 86 HE ARG 86 -25.529 17.868 0.938 721 1HH1 ARG 86 1HH2 ARG 86 -28.431 15.857 1.215 722 2HH1 ARG 86 2HH2 ARG 86 -27.571 14.366 0.936 723 1HH2 ARG 86 1HH1 ARG 86 -24.453 16.035 0.538 724 2HH2 ARG 86 2HH1 ARG 86 -25.215 14.448 0.547 725 H LEU 87 H LEU 87 -24.270 19.960 4.722 726 HA LEU 87 HA LEU 87 -24.001 21.558 7.015 727 1HB LEU 87 HB2 LEU 87 -25.066 20.150 8.752 728 2HB LEU 87 HB3 LEU 87 -26.231 20.921 7.705 729 HG LEU 87 HG LEU 87 -25.923 18.486 6.405 730 1HD1 LEU 87 1HD1 LEU 87 -25.997 16.729 8.109 731 2HD1 LEU 87 2HD1 LEU 87 -24.465 17.601 8.248 732 3HD1 LEU 87 3HD1 LEU 87 -25.773 17.923 9.402 733 1HD2 LEU 87 1HD2 LEU 87 -27.856 19.160 8.655 734 2HD2 LEU 87 2HD2 LEU 87 -28.043 19.591 6.941 735 3HD2 LEU 87 3HD2 LEU 87 -28.074 17.889 7.432 736 1H LYS 88 H1 LYS 88 -13.934 30.730 -7.885 737 2H LYS 88 H2 LYS 88 -14.644 30.848 -6.407 738 3H LYS 88 H3 LYS 88 -13.140 31.465 -6.638 739 HA LYS 88 HA LYS 88 -13.150 29.369 -5.401 740 1HB LYS 88 HB2 LYS 88 -14.001 28.246 -8.095 741 2HB LYS 88 HB3 LYS 88 -13.601 27.318 -6.642 742 1HG LYS 88 HG2 LYS 88 -15.569 28.141 -5.471 743 2HG LYS 88 HG3 LYS 88 -15.915 29.290 -6.767 744 1HD LYS 88 HD2 LYS 88 -17.434 27.535 -7.114 745 2HD LYS 88 HD3 LYS 88 -16.212 27.412 -8.375 746 1HE LYS 88 HE2 LYS 88 -16.701 25.199 -7.631 747 2HE LYS 88 HE3 LYS 88 -15.095 25.569 -7.000 748 1HZ LYS 88 HZ1 LYS 88 -16.127 26.019 -4.879 749 2HZ LYS 88 HZ2 LYS 88 -17.629 25.769 -5.509 750 3HZ LYS 88 HZ3 LYS 88 -16.568 24.518 -5.410 751 H GLU 89 H GLU 89 -12.206 30.180 -8.731 752 HA GLU 89 HA GLU 89 -10.133 28.577 -9.260 753 1HB GLU 89 HB2 GLU 89 -11.070 30.407 -10.660 754 2HB GLU 89 HB3 GLU 89 -10.081 31.581 -9.786 755 1HG GLU 89 HG2 GLU 89 -8.022 30.340 -10.509 756 2HG GLU 89 HG3 GLU 89 -9.044 29.210 -11.414 757 H LYS 90 H LYS 90 -9.663 31.635 -7.478 758 HA LYS 90 HA LYS 90 -6.884 31.246 -7.051 759 1HB LYS 90 HB2 LYS 90 -8.086 33.419 -6.840 760 2HB LYS 90 HB3 LYS 90 -8.783 32.863 -5.304 761 1HG LYS 90 HG2 LYS 90 -6.480 32.601 -4.380 762 2HG LYS 90 HG3 LYS 90 -5.800 33.121 -5.935 763 1HD LYS 90 HD2 LYS 90 -7.041 35.305 -5.681 764 2HD LYS 90 HD3 LYS 90 -7.549 34.789 -4.065 765 1HE LYS 90 HE2 LYS 90 -4.673 35.200 -5.033 766 2HE LYS 90 HE3 LYS 90 -5.582 36.266 -3.951 767 1HZ LYS 90 HZ1 LYS 90 -5.686 34.437 -2.381 768 2HZ LYS 90 HZ2 LYS 90 -4.748 33.510 -3.376 769 3HZ LYS 90 HZ3 LYS 90 -4.136 34.883 -2.719 770 H ARG 91 H ARG 91 -9.700 30.111 -5.245 771 HA ARG 91 HA ARG 91 -8.222 29.276 -2.868 772 1HB ARG 91 HB2 ARG 91 -10.516 29.696 -2.588 773 2HB ARG 91 HB3 ARG 91 -11.017 28.631 -3.889 774 1HG ARG 91 HG2 ARG 91 -9.484 27.416 -1.586 775 2HG ARG 91 HG3 ARG 91 -11.139 27.950 -1.331 776 1HD ARG 91 HD2 ARG 91 -11.825 26.553 -3.366 777 2HD ARG 91 HD3 ARG 91 -10.242 25.809 -3.332 778 HE ARG 91 HE ARG 91 -10.797 24.652 -1.397 779 1HH1 ARG 91 1HH1 ARG 91 -13.234 27.163 -1.978 780 2HH1 ARG 91 2HH1 ARG 91 -14.410 26.437 -0.902 781 1HH2 ARG 91 1HH2 ARG 91 -12.311 23.876 0.253 782 2HH2 ARG 91 2HH2 ARG 91 -13.875 24.632 0.344 783 H ILE 92 H ILE 92 -9.457 27.692 -5.826 784 HA ILE 92 HA ILE 92 -8.382 25.111 -5.401 785 HB ILE 92 HB ILE 92 -9.195 26.747 -7.802 786 1HG1 ILE 92 2HG1 ILE 92 -10.451 24.553 -8.232 787 2HG1 ILE 92 3HG1 ILE 92 -9.910 24.048 -6.620 788 1HG2 ILE 92 1HG2 ILE 92 -8.512 24.937 -9.354 789 2HG2 ILE 92 2HG2 ILE 92 -7.164 25.859 -8.727 790 3HG2 ILE 92 3HG2 ILE 92 -7.503 24.255 -8.053 791 1HD1 ILE 92 1HD1 ILE 92 -11.564 26.494 -7.298 792 2HD1 ILE 92 2HD1 ILE 92 -12.182 24.985 -6.608 793 3HD1 ILE 92 3HD1 ILE 92 -11.093 25.999 -5.647 794 H LYS 93 H LYS 93 -6.822 27.937 -7.009 795 HA LYS 93 HA LYS 93 -4.437 26.485 -7.462 796 1HB LYS 93 HB2 LYS 93 -4.968 29.467 -7.334 797 2HB LYS 93 HB3 LYS 93 -3.403 28.806 -7.823 798 1HG LYS 93 HG2 LYS 93 -5.907 27.821 -9.218 799 2HG LYS 93 HG3 LYS 93 -5.275 29.418 -9.600 800 1HD LYS 93 HD2 LYS 93 -4.447 27.808 -11.195 801 2HD LYS 93 HD3 LYS 93 -3.111 28.497 -10.267 802 1HE LYS 93 HE2 LYS 93 -2.872 26.449 -8.966 803 2HE LYS 93 HE3 LYS 93 -4.364 25.767 -9.668 804 1HZ LYS 93 HZ1 LYS 93 -1.892 26.394 -11.116 805 2HZ LYS 93 HZ2 LYS 93 -2.407 24.897 -10.649 806 3HZ LYS 93 HZ3 LYS 93 -3.261 25.749 -11.775 807 H GLU 94 H GLU 94 -5.172 28.805 -4.815 808 HA GLU 94 HA GLU 94 -2.706 28.577 -3.438 809 1HB GLU 94 HB2 GLU 94 -5.568 28.934 -2.440 810 2HB GLU 94 HB3 GLU 94 -4.160 29.100 -1.393 811 1HG GLU 94 HG2 GLU 94 -4.552 30.770 -3.927 812 2HG GLU 94 HG3 GLU 94 -5.141 31.259 -2.338 813 H LEU 95 H LEU 95 -5.674 26.579 -3.147 814 HA LEU 95 HA LEU 95 -4.783 24.857 -1.122 815 1HB LEU 95 HB2 LEU 95 -7.107 25.118 -1.903 816 2HB LEU 95 HB3 LEU 95 -6.693 24.350 -3.442 817 HG LEU 95 HG LEU 95 -6.215 22.226 -2.243 818 1HD1 LEU 95 1HD1 LEU 95 -7.089 22.067 0.155 819 2HD1 LEU 95 2HD1 LEU 95 -5.593 22.997 -0.002 820 3HD1 LEU 95 3HD1 LEU 95 -7.149 23.834 0.192 821 1HD2 LEU 95 1HD2 LEU 95 -8.550 21.737 -1.764 822 2HD2 LEU 95 2HD2 LEU 95 -8.937 23.471 -1.668 823 3HD2 LEU 95 3HD2 LEU 95 -8.436 22.756 -3.213 824 H GLU 96 H GLU 96 -4.594 24.437 -4.700 825 HA GLU 96 HA GLU 96 -3.238 21.936 -4.682 826 1HB GLU 96 HB2 GLU 96 -4.374 22.876 -6.611 827 2HB GLU 96 HB3 GLU 96 -3.230 24.216 -6.703 828 1HG GLU 96 HG2 GLU 96 -1.397 22.645 -7.222 829 2HG GLU 96 HG3 GLU 96 -2.508 21.273 -7.038 830 H LEU 97 H LEU 97 -1.982 25.271 -4.933 831 HA LEU 97 HA LEU 97 0.757 24.673 -5.109 832 1HB LEU 97 HB2 LEU 97 -0.770 27.114 -4.150 833 2HB LEU 97 HB3 LEU 97 0.980 27.116 -4.262 834 HG LEU 97 HG LEU 97 -0.820 26.493 -6.649 835 1HD1 LEU 97 1HD1 LEU 97 -1.219 28.793 -5.811 836 2HD1 LEU 97 2HD1 LEU 97 0.528 29.112 -5.858 837 3HD1 LEU 97 3HD1 LEU 97 -0.365 28.808 -7.363 838 1HD2 LEU 97 1HD2 LEU 97 1.231 27.072 -7.944 839 2HD2 LEU 97 2HD2 LEU 97 2.144 27.173 -6.426 840 3HD2 LEU 97 3HD2 LEU 97 1.451 25.626 -6.960 841 H LEU 98 H LEU 98 -1.236 25.256 -2.194 842 HA LEU 98 HA LEU 98 0.697 25.501 -0.266 843 1HB LEU 98 HB2 LEU 98 -1.688 25.655 0.200 844 2HB LEU 98 HB3 LEU 98 -1.913 23.942 -0.171 845 HG LEU 98 HG LEU 98 -0.572 23.298 1.801 846 1HD1 LEU 98 1HD1 LEU 98 0.943 25.228 2.015 847 2HD1 LEU 98 2HD1 LEU 98 -0.438 26.305 2.325 848 3HD1 LEU 98 3HD1 LEU 98 -0.002 25.043 3.496 849 1HD2 LEU 98 1HD2 LEU 98 -3.018 23.564 1.961 850 2HD2 LEU 98 2HD2 LEU 98 -2.214 23.971 3.488 851 3HD2 LEU 98 3HD2 LEU 98 -2.808 25.266 2.425 852 H LEU 99 H LEU 99 -0.541 22.401 -1.596 853 HA LEU 99 HA LEU 99 1.197 20.814 0.063 854 1HB LEU 99 HB2 LEU 99 -0.989 20.121 -0.912 855 2HB LEU 99 HB3 LEU 99 -0.248 19.991 -2.498 856 HG LEU 99 HG LEU 99 -0.554 17.841 -1.372 857 1HD1 LEU 99 1HD1 LEU 99 1.358 18.145 -2.957 858 2HD1 LEU 99 2HD1 LEU 99 2.426 18.323 -1.535 859 3HD1 LEU 99 3HD1 LEU 99 1.535 16.822 -1.787 860 1HD2 LEU 99 1HD2 LEU 99 -0.229 18.663 0.985 861 2HD2 LEU 99 2HD2 LEU 99 0.624 17.155 0.605 862 3HD2 LEU 99 3HD2 LEU 99 1.522 18.678 0.692 863 H MET 100 H MET 100 1.312 21.812 -3.406 864 HA MET 100 HA MET 100 3.721 20.504 -4.082 865 1HB MET 100 HB2 MET 100 2.545 23.105 -5.122 866 2HB MET 100 HB3 MET 100 3.913 22.253 -5.858 867 1HG MET 100 HG2 MET 100 2.536 20.238 -6.164 868 2HG MET 100 HG3 MET 100 1.137 21.057 -5.456 869 1HE MET 100 HE1 MET 100 0.194 20.587 -9.220 870 2HE MET 100 HE2 MET 100 1.220 19.495 -8.262 871 3HE MET 100 HE3 MET 100 -0.239 20.212 -7.534 872 H SER 101 H SER 101 3.270 23.617 -2.467 873 HA SER 101 HA SER 101 5.947 24.511 -2.532 874 1HB SER 101 HB2 SER 101 3.800 25.071 -0.447 875 2HB SER 101 HB3 SER 101 5.279 26.013 -0.711 876 HG SER 101 HG SER 101 3.167 25.612 -2.573 877 H THR 102 H THR 102 4.807 21.742 -0.788 878 HA THR 102 HA THR 102 6.216 22.050 1.612 879 HB THR 102 HB THR 102 5.835 19.413 0.163 880 HG1 THR 102 HG1 THR 102 3.862 20.359 0.358 881 1HG2 THR 102 1HG2 THR 102 7.292 19.253 2.180 882 2HG2 THR 102 2HG2 THR 102 6.104 20.180 3.115 883 3HG2 THR 102 3HG2 THR 102 5.700 18.560 2.524 884 H GLU 103 H GLU 103 7.529 21.119 -1.600 885 HA GLU 103 HA GLU 103 10.097 20.273 -0.698 886 1HB GLU 103 HB2 GLU 103 9.219 21.809 -3.182 887 2HB GLU 103 HB3 GLU 103 10.879 21.259 -2.928 888 1HG GLU 103 HG2 GLU 103 8.412 19.489 -3.103 889 2HG GLU 103 HG3 GLU 103 9.601 19.740 -4.381 890 H ASN 104 H ASN 104 8.941 23.548 -1.563 891 HA ASN 104 HA ASN 104 11.311 24.965 -0.975 892 1HB ASN 104 HB2 ASN 104 8.454 25.989 -0.755 893 2HB ASN 104 HB3 ASN 104 9.917 26.948 -0.979 894 1HD2 ASN 104 2HD2 ASN 104 10.535 27.382 -3.127 895 2HD2 ASN 104 1HD2 ASN 104 9.840 26.544 -4.504 896 H GLU 105 H GLU 105 8.391 24.343 0.989 897 HA GLU 105 HA GLU 105 9.220 25.744 3.296 898 1HB GLU 105 HB2 GLU 105 6.911 24.848 2.680 899 2HB GLU 105 HB3 GLU 105 7.436 23.274 3.307 900 1HG GLU 105 HG2 GLU 105 7.854 24.307 5.525 901 2HG GLU 105 HG3 GLU 105 7.446 25.901 4.875 902 H LEU 106 H LEU 106 9.599 22.296 2.450 903 HA LEU 106 HA LEU 106 10.879 21.379 4.780 904 1HB LEU 106 HB2 LEU 106 9.892 19.946 2.997 905 2HB LEU 106 HB3 LEU 106 11.185 20.443 1.906 906 HG LEU 106 HG LEU 106 12.756 19.470 3.862 907 1HD1 LEU 106 1HD1 LEU 106 10.138 17.937 4.216 908 2HD1 LEU 106 2HD1 LEU 106 11.704 17.513 4.938 909 3HD1 LEU 106 3HD1 LEU 106 10.881 19.006 5.421 910 1HD2 LEU 106 1HD2 LEU 106 11.217 17.798 1.849 911 2HD2 LEU 106 2HD2 LEU 106 12.735 18.665 1.570 912 3HD2 LEU 106 3HD2 LEU 106 12.698 17.289 2.687 913 H LYS 107 H LYS 107 12.371 22.453 1.623 914 HA LYS 107 HA LYS 107 15.000 22.099 2.666 915 1HB LYS 107 HB2 LYS 107 15.852 23.120 0.726 916 2HB LYS 107 HB3 LYS 107 14.489 22.080 0.281 917 1HG LYS 107 HG2 LYS 107 13.053 24.169 0.269 918 2HG LYS 107 HG3 LYS 107 14.526 25.132 0.414 919 1HD LYS 107 HD2 LYS 107 13.810 23.177 -1.829 920 2HD LYS 107 HD3 LYS 107 13.754 24.945 -1.921 921 1HE LYS 107 HE2 LYS 107 16.237 25.008 -1.475 922 2HE LYS 107 HE3 LYS 107 16.260 23.235 -1.554 923 1HZ LYS 107 HZ1 LYS 107 16.847 24.203 -3.629 924 2HZ LYS 107 HZ2 LYS 107 15.428 23.381 -3.782 925 3HZ LYS 107 HZ3 LYS 107 15.424 25.029 -3.717 926 H GLY 108 H GLY 108 12.851 24.973 2.699 927 1HA GLY 108 HA2 GLY 108 14.749 26.813 3.799 928 2HA GLY 108 HA3 GLY 108 12.990 26.859 4.010 929 H GLN 109 H GLN 109 12.253 24.829 5.424 930 HA GLN 109 HA GLN 109 12.810 25.231 8.106 931 1HB GLN 109 HB2 GLN 109 10.886 24.036 7.247 932 2HB GLN 109 HB3 GLN 109 11.911 22.775 6.564 933 1HG GLN 109 HG2 GLN 109 12.526 22.038 8.866 934 2HG GLN 109 HG3 GLN 109 11.456 23.295 9.519 935 1HE2 GLN 109 2HE2 GLN 109 11.433 20.586 7.113 936 2HE2 GLN 109 1HE2 GLN 109 9.754 20.145 7.376 937 H GLN 110 H GLN 110 14.288 22.802 5.925 938 HA GLN 110 HA GLN 110 16.285 22.084 7.996 939 1HB GLN 110 HB2 GLN 110 14.837 20.401 6.716 940 2HB GLN 110 HB3 GLN 110 15.790 20.811 5.292 941 1HG GLN 110 HG2 GLN 110 17.694 20.257 7.364 942 2HG GLN 110 HG3 GLN 110 16.410 19.072 7.583 943 1HE2 GLN 110 2HE2 GLN 110 18.388 20.577 4.997 944 2HE2 GLN 110 1HE2 GLN 110 18.629 19.088 4.073 945 H ALA 111 H ALA 111 16.443 24.752 6.563 946 HA ALA 111 HA ALA 111 18.503 24.690 4.645 947 1HB ALA 111 HB1 ALA 111 19.006 27.006 5.412 948 2HB ALA 111 HB2 ALA 111 17.280 26.726 5.130 949 3HB ALA 111 HB3 ALA 111 17.914 26.769 6.794 950 H LEU 112 H LEU 112 18.688 24.594 8.197 951 HA LEU 112 HA LEU 112 21.599 24.498 8.266 952 1HB LEU 112 HB2 LEU 112 20.265 25.370 10.159 953 2HB LEU 112 HB3 LEU 112 19.492 23.791 10.347 954 HG LEU 112 HG LEU 112 21.705 22.781 10.918 955 1HD1 LEU 112 1HD1 LEU 112 23.260 24.295 9.767 956 2HD1 LEU 112 2HD1 LEU 112 22.693 25.668 10.746 957 3HD1 LEU 112 3HD1 LEU 112 23.586 24.332 11.500 958 1HD2 LEU 112 1HD2 LEU 112 20.930 25.203 12.594 959 2HD2 LEU 112 2HD2 LEU 112 20.182 23.593 12.677 960 3HD2 LEU 112 3HD2 LEU 112 21.877 23.805 13.147 Start of MODEL 5 1 1H GLY 1 H1 GLY 1 2.344 -6.776 -2.093 2 2H GLY 1 H2 GLY 1 1.862 -6.511 -3.648 3 3H GLY 1 H3 GLY 1 2.783 -7.833 -3.285 4 1HA GLY 1 HA2 GLY 1 4.640 -6.429 -2.709 5 2HA GLY 1 HA3 GLY 1 4.096 -6.192 -4.379 6 H VAL 2 H VAL 2 3.559 -4.944 -1.075 7 HA VAL 2 HA VAL 2 2.312 -2.502 -1.919 8 HB VAL 2 HB VAL 2 2.458 -1.935 0.513 9 1HG1 VAL 2 1HG1 VAL 2 0.544 -3.167 -0.419 10 2HG1 VAL 2 2HG1 VAL 2 1.367 -4.708 -0.105 11 3HG1 VAL 2 3HG1 VAL 2 0.898 -3.654 1.245 12 1HG2 VAL 2 1HG2 VAL 2 4.588 -3.185 1.062 13 2HG2 VAL 2 2HG2 VAL 2 3.229 -3.532 2.136 14 3HG2 VAL 2 3HG2 VAL 2 3.688 -4.703 0.896 15 H ARG 3 H ARG 3 4.391 -2.245 -3.465 16 HA ARG 3 HA ARG 3 6.163 -0.211 -2.188 17 1HB ARG 3 HB2 ARG 3 7.120 -2.545 -2.800 18 2HB ARG 3 HB3 ARG 3 6.986 -2.032 -4.474 19 1HG ARG 3 HG2 ARG 3 8.525 -0.744 -2.187 20 2HG ARG 3 HG3 ARG 3 9.229 -1.640 -3.543 21 1HD ARG 3 HD2 ARG 3 8.058 1.150 -3.527 22 2HD ARG 3 HD3 ARG 3 9.673 0.625 -4.028 23 HE ARG 3 HE ARG 3 7.773 -0.646 -5.697 24 1HH1 ARG 3 1HH2 ARG 3 9.071 2.589 -5.140 25 2HH1 ARG 3 2HH2 ARG 3 8.373 3.266 -6.586 26 1HH2 ARG 3 1HH1 ARG 3 6.744 0.239 -7.477 27 2HH2 ARG 3 2HH1 ARG 3 7.084 1.867 -8.003 28 H LYS 4 H LYS 4 5.466 1.718 -2.971 29 HA LYS 4 HA LYS 4 4.953 2.033 -5.897 30 1HB LYS 4 HB2 LYS 4 3.091 2.948 -3.696 31 2HB LYS 4 HB3 LYS 4 2.977 3.366 -5.414 32 1HG LYS 4 HG2 LYS 4 2.689 0.510 -4.423 33 2HG LYS 4 HG3 LYS 4 1.360 1.649 -4.654 34 1HD LYS 4 HD2 LYS 4 2.172 2.004 -7.048 35 2HD LYS 4 HD3 LYS 4 3.259 0.622 -6.802 36 1HE LYS 4 HE2 LYS 4 1.323 -0.807 -6.280 37 2HE LYS 4 HE3 LYS 4 0.236 0.582 -6.439 38 1HZ LYS 4 HZ1 LYS 4 0.244 -0.723 -8.379 39 2HZ LYS 4 HZ2 LYS 4 0.874 0.760 -8.727 40 3HZ LYS 4 HZ3 LYS 4 1.874 -0.551 -8.593 41 H GLY 5 H GLY 5 6.759 3.065 -3.318 42 1HA GLY 5 HA2 GLY 5 8.103 4.961 -3.145 43 2HA GLY 5 HA3 GLY 5 7.224 5.765 -4.453 44 H TRP 6 H TRP 6 4.753 5.936 -3.875 45 HA TRP 6 HA TRP 6 4.480 7.636 -1.582 46 1HB TRP 6 HB2 TRP 6 2.183 7.817 -2.135 47 2HB TRP 6 HB3 TRP 6 3.078 7.779 -3.641 48 HD1 TRP 6 HD1 TRP 6 2.523 5.838 -5.309 49 HE1 TRP 6 HE1 TRP 6 0.660 4.046 -5.435 50 HE3 TRP 6 HE3 TRP 6 0.640 6.196 -0.542 51 HZ2 TRP 6 HZ2 TRP 6 -1.147 2.762 -3.671 52 HZ3 TRP 6 HZ3 TRP 6 -1.210 4.684 0.158 53 HH2 TRP 6 HH2 TRP 6 -2.017 2.908 -1.346 54 H HIS 7 H HIS 7 4.179 4.193 -1.961 55 HA HIS 7 HA HIS 7 2.394 3.384 -0.099 56 1HB HIS 7 HB2 HIS 7 3.655 1.310 0.101 57 2HB HIS 7 HB3 HIS 7 3.695 1.870 -1.565 58 HD2 HIS 7 HD2 HIS 7 5.876 0.926 1.377 59 HE1 HIS 7 HE1 HIS 7 8.560 2.556 -1.491 60 HE2 HIS 7 HE2 HIS 7 8.384 1.301 0.716 61 H GLU 8 H GLU 8 5.761 4.350 0.634 62 HA GLU 8 HA GLU 8 5.791 3.642 3.345 63 1HB GLU 8 HB2 GLU 8 7.792 4.977 3.458 64 2HB GLU 8 HB3 GLU 8 7.722 4.171 1.888 65 1HG GLU 8 HG2 GLU 8 6.605 6.442 1.072 66 2HG GLU 8 HG3 GLU 8 7.246 7.073 2.596 67 H HIS 9 H HIS 9 4.277 6.433 1.804 68 HA HIS 9 HA HIS 9 4.082 8.017 4.235 69 1HB HIS 9 HB2 HIS 9 2.499 8.339 1.669 70 2HB HIS 9 HB3 HIS 9 2.884 9.539 2.906 71 HD2 HIS 9 HD2 HIS 9 6.077 8.986 3.032 72 HE1 HIS 9 HE1 HIS 9 6.061 9.991 -1.097 73 HE2 HIS 9 HE2 HIS 9 7.535 9.622 0.951 74 H VAL 10 H VAL 10 2.418 5.263 2.973 75 HA VAL 10 HA VAL 10 0.132 5.708 4.823 76 HB VAL 10 HB VAL 10 -0.015 4.507 2.048 77 1HG1 VAL 10 1HG1 VAL 10 -1.611 3.631 3.883 78 2HG1 VAL 10 2HG1 VAL 10 -2.252 5.278 3.960 79 3HG1 VAL 10 3HG1 VAL 10 -2.382 4.345 2.458 80 1HG2 VAL 10 1HG2 VAL 10 -1.488 6.526 1.568 81 2HG2 VAL 10 2HG2 VAL 10 -0.953 7.220 3.106 82 3HG2 VAL 10 3HG2 VAL 10 0.217 6.932 1.802 83 H THR 11 H THR 11 1.287 4.551 6.304 84 HA THR 11 HA THR 11 2.470 1.961 5.768 85 HB THR 11 HB THR 11 2.814 1.910 8.248 86 HG1 THR 11 HG1 THR 11 1.527 4.439 8.205 87 1HG2 THR 11 1HG2 THR 11 4.343 3.819 8.365 88 2HG2 THR 11 2HG2 THR 11 4.472 2.954 6.818 89 3HG2 THR 11 3HG2 THR 11 3.623 4.512 6.894 90 H GLN 12 H GLN 12 1.962 0.059 7.065 91 HA GLN 12 HA GLN 12 -0.484 -0.981 6.475 92 1HB GLN 12 HB2 GLN 12 1.495 -2.300 7.062 93 2HB GLN 12 HB3 GLN 12 1.342 -1.796 8.753 94 1HG GLN 12 HG2 GLN 12 0.449 -4.067 8.347 95 2HG GLN 12 HG3 GLN 12 -0.782 -2.964 8.968 96 1HE2 GLN 12 2HE2 GLN 12 -2.759 -3.640 8.027 97 2HE2 GLN 12 1HE2 GLN 12 -2.914 -3.954 6.311 98 H ASP 13 H ASP 13 0.353 0.723 9.550 99 HA ASP 13 HA ASP 13 -2.040 0.087 10.928 100 1HB ASP 13 HB2 ASP 13 -0.366 2.656 11.027 101 2HB ASP 13 HB3 ASP 13 -1.499 2.093 12.260 102 H LEU 14 H LEU 14 -1.314 2.752 8.622 103 HA LEU 14 HA LEU 14 -3.922 3.970 8.939 104 1HB LEU 14 HB2 LEU 14 -2.038 5.301 8.295 105 2HB LEU 14 HB3 LEU 14 -1.736 4.320 6.860 106 HG LEU 14 HG LEU 14 -3.672 5.153 5.755 107 1HD1 LEU 14 1HD1 LEU 14 -5.326 5.262 7.612 108 2HD1 LEU 14 2HD1 LEU 14 -4.448 6.666 8.273 109 3HD1 LEU 14 3HD1 LEU 14 -5.250 6.765 6.699 110 1HD2 LEU 14 1HD2 LEU 14 -2.348 7.465 7.264 111 2HD2 LEU 14 2HD2 LEU 14 -1.654 6.652 5.854 112 3HD2 LEU 14 3HD2 LEU 14 -3.150 7.583 5.694 113 H ARG 15 H ARG 15 -2.420 1.691 6.585 114 HA ARG 15 HA ARG 15 -4.659 1.282 4.901 115 1HB ARG 15 HB2 ARG 15 -2.744 -0.847 5.919 116 2HB ARG 15 HB3 ARG 15 -3.803 -0.991 4.530 117 1HG ARG 15 HG2 ARG 15 -2.600 0.821 3.367 118 2HG ARG 15 HG3 ARG 15 -1.547 1.031 4.765 119 1HD ARG 15 HD2 ARG 15 -1.245 -1.648 4.390 120 2HD ARG 15 HD3 ARG 15 -1.574 -1.161 2.736 121 HE ARG 15 HE ARG 15 0.266 0.651 3.286 122 1HH1 ARG 15 1HH2 ARG 15 0.453 -2.684 4.583 123 2HH1 ARG 15 2HH2 ARG 15 2.138 -2.828 4.189 124 1HH2 ARG 15 1HH1 ARG 15 2.364 0.341 2.633 125 2HH2 ARG 15 2HH1 ARG 15 3.292 -1.038 3.183 126 H SER 16 H SER 16 -3.877 -0.259 8.014 127 HA SER 16 HA SER 16 -6.068 -2.062 8.128 128 1HB SER 16 HB2 SER 16 -4.343 -0.878 10.327 129 2HB SER 16 HB3 SER 16 -5.403 -2.257 10.536 130 HG SER 16 HG SER 16 -3.175 -2.002 8.820 131 H HIS 17 H HIS 17 -5.625 1.239 9.548 132 HA HIS 17 HA HIS 17 -8.273 1.247 10.694 133 1HB HIS 17 HB2 HIS 17 -6.295 2.710 11.332 134 2HB HIS 17 HB3 HIS 17 -6.637 3.683 9.893 135 HD2 HIS 17 HD2 HIS 17 -8.073 5.758 10.560 136 HE1 HIS 17 HE1 HIS 17 -10.203 4.144 13.873 137 HE2 HIS 17 HE2 HIS 17 -9.787 6.241 12.497 138 H LEU 18 H LEU 18 -7.002 2.154 7.455 139 HA LEU 18 HA LEU 18 -9.517 3.233 6.546 140 1HB LEU 18 HB2 LEU 18 -7.061 2.163 5.157 141 2HB LEU 18 HB3 LEU 18 -8.495 2.648 4.235 142 HG LEU 18 HG LEU 18 -7.128 4.475 6.261 143 1HD1 LEU 18 1HD1 LEU 18 -5.507 3.826 4.510 144 2HD1 LEU 18 2HD1 LEU 18 -6.687 4.286 3.257 145 3HD1 LEU 18 3HD1 LEU 18 -6.009 5.515 4.344 146 1HD2 LEU 18 1HD2 LEU 18 -8.230 6.257 4.919 147 2HD2 LEU 18 2HD2 LEU 18 -9.010 5.011 3.921 148 3HD2 LEU 18 3HD2 LEU 18 -9.426 5.189 5.641 149 H VAL 19 H VAL 19 -8.154 -0.091 6.425 150 HA VAL 19 HA VAL 19 -10.385 -1.384 5.260 151 HB VAL 19 HB VAL 19 -8.344 -2.249 7.320 152 1HG1 VAL 19 1HG1 VAL 19 -10.375 -3.571 7.845 153 2HG1 VAL 19 2HG1 VAL 19 -10.459 -4.058 6.136 154 3HG1 VAL 19 3HG1 VAL 19 -9.082 -4.535 7.140 155 1HG2 VAL 19 1HG2 VAL 19 -7.620 -1.949 4.972 156 2HG2 VAL 19 2HG2 VAL 19 -7.516 -3.627 5.499 157 3HG2 VAL 19 3HG2 VAL 19 -8.863 -3.104 4.456 158 H HIS 20 H HIS 20 -9.801 -0.502 8.720 159 HA HIS 20 HA HIS 20 -12.309 -1.307 9.692 160 1HB HIS 20 HB2 HIS 20 -10.419 -0.515 11.096 161 2HB HIS 20 HB3 HIS 20 -10.789 1.144 10.636 162 HD2 HIS 20 HD2 HIS 20 -11.889 -1.562 12.942 163 HE1 HIS 20 HE1 HIS 20 -14.498 1.729 13.647 164 HE2 HIS 20 HE2 HIS 20 -13.774 -0.560 14.501 165 H LYS 21 H LYS 21 -11.458 1.948 8.317 166 HA LYS 21 HA LYS 21 -14.065 3.009 8.425 167 1HB LYS 21 HB2 LYS 21 -12.016 3.560 6.238 168 2HB LYS 21 HB3 LYS 21 -13.475 4.476 6.569 169 1HG LYS 21 HG2 LYS 21 -11.006 4.314 8.314 170 2HG LYS 21 HG3 LYS 21 -11.667 5.689 7.444 171 1HD LYS 21 HD2 LYS 21 -13.765 5.476 8.933 172 2HD LYS 21 HD3 LYS 21 -12.839 4.298 9.886 173 1HE LYS 21 HE2 LYS 21 -12.630 6.412 10.983 174 2HE LYS 21 HE3 LYS 21 -11.064 6.054 10.236 175 1HZ LYS 21 HZ1 LYS 21 -13.122 7.805 9.076 176 2HZ LYS 21 HZ2 LYS 21 -11.822 8.323 9.945 177 3HZ LYS 21 HZ3 LYS 21 -11.595 7.573 8.490 178 H LEU 22 H LEU 22 -12.662 0.898 5.860 179 HA LEU 22 HA LEU 22 -14.997 0.942 4.202 180 1HB LEU 22 HB2 LEU 22 -13.082 -1.376 4.624 181 2HB LEU 22 HB3 LEU 22 -14.276 -1.224 3.348 182 HG LEU 22 HG LEU 22 -11.757 0.425 3.710 183 1HD1 LEU 22 1HD1 LEU 22 -12.767 -1.364 1.476 184 2HD1 LEU 22 2HD1 LEU 22 -11.192 -0.546 1.530 185 3HD1 LEU 22 3HD1 LEU 22 -11.559 -1.833 2.693 186 1HD2 LEU 22 1HD2 LEU 22 -13.441 1.991 2.986 187 2HD2 LEU 22 2HD2 LEU 22 -12.503 1.563 1.560 188 3HD2 LEU 22 3HD2 LEU 22 -14.103 0.839 1.798 189 H VAL 23 H VAL 23 -14.107 -1.325 6.859 190 HA VAL 23 HA VAL 23 -16.498 -2.823 6.761 191 HB VAL 23 HB VAL 23 -14.850 -2.178 9.224 192 1HG1 VAL 23 1HG1 VAL 23 -16.980 -4.319 8.739 193 2HG1 VAL 23 2HG1 VAL 23 -15.923 -4.233 10.159 194 3HG1 VAL 23 3HG1 VAL 23 -17.117 -2.968 9.871 195 1HG2 VAL 23 1HG2 VAL 23 -13.894 -4.425 8.843 196 2HG2 VAL 23 2HG2 VAL 23 -14.853 -4.598 7.358 197 3HG2 VAL 23 3HG2 VAL 23 -13.567 -3.382 7.460 198 H GLN 24 H GLN 24 -15.853 0.231 8.596 199 HA GLN 24 HA GLN 24 -18.504 0.355 9.704 200 1HB GLN 24 HB2 GLN 24 -16.617 2.680 9.136 201 2HB GLN 24 HB3 GLN 24 -18.015 2.664 10.217 202 1HG GLN 24 HG2 GLN 24 -15.319 1.356 10.623 203 2HG GLN 24 HG3 GLN 24 -16.211 2.439 11.675 204 1HE2 GLN 24 2HE2 GLN 24 -15.466 -0.841 11.022 205 2HE2 GLN 24 1HE2 GLN 24 -16.758 -1.584 11.974 206 H ALA 25 H ALA 25 -17.177 1.785 6.711 207 HA ALA 25 HA ALA 25 -19.485 3.290 6.036 208 1HB ALA 25 HB1 ALA 25 -17.321 2.120 4.237 209 2HB ALA 25 HB2 ALA 25 -18.472 3.400 3.799 210 3HB ALA 25 HB3 ALA 25 -17.267 3.693 5.067 211 H ILE 26 H ILE 26 -18.551 -0.076 5.247 212 HA ILE 26 HA ILE 26 -20.940 -0.595 3.667 213 HB ILE 26 HB ILE 26 -18.951 -2.465 5.032 214 1HG1 ILE 26 2HG1 ILE 26 -19.060 -1.699 2.109 215 2HG1 ILE 26 3HG1 ILE 26 -18.025 -0.834 3.236 216 1HG2 ILE 26 1HG2 ILE 26 -19.842 -4.122 3.305 217 2HG2 ILE 26 2HG2 ILE 26 -21.016 -3.675 4.532 218 3HG2 ILE 26 3HG2 ILE 26 -21.102 -2.946 2.916 219 1HD1 ILE 26 1HD1 ILE 26 -16.672 -2.466 2.154 220 2HD1 ILE 26 2HD1 ILE 26 -16.893 -2.982 3.836 221 3HD1 ILE 26 3HD1 ILE 26 -17.795 -3.779 2.524 222 H PHE 27 H PHE 27 -19.880 -1.143 7.008 223 HA PHE 27 HA PHE 27 -22.587 -1.952 7.919 224 1HB PHE 27 HB2 PHE 27 -21.183 -3.846 7.046 225 2HB PHE 27 HB3 PHE 27 -20.040 -3.544 8.339 226 HD1 PHE 27 HD1 PHE 27 -22.964 -5.303 7.313 227 HD2 PHE 27 HD2 PHE 27 -20.940 -3.758 10.800 228 HE1 PHE 27 HE1 PHE 27 -24.097 -6.964 8.715 229 HE2 PHE 27 HE2 PHE 27 -22.132 -5.352 12.207 230 HZ PHE 27 HZ PHE 27 -23.835 -6.901 11.206 231 HA PRO 28 HA PRO 28 -20.417 0.866 10.965 232 1HB PRO 28 HB2 PRO 28 -22.652 1.812 12.217 233 2HB PRO 28 HB3 PRO 28 -21.982 2.494 10.709 234 1HG PRO 28 HG2 PRO 28 -24.240 0.495 10.960 235 2HG PRO 28 HG3 PRO 28 -24.206 1.992 9.980 236 1HD PRO 28 HD2 PRO 28 -23.697 -0.399 8.878 237 2HD PRO 28 HD3 PRO 28 -22.698 1.003 8.400 238 H THR 29 H THR 29 -19.469 -0.415 12.444 239 HA THR 29 HA THR 29 -20.727 -2.845 13.277 240 HB THR 29 HB THR 29 -18.082 -1.692 14.089 241 HG1 THR 29 HG1 THR 29 -18.917 -2.288 11.663 242 1HG2 THR 29 1HG2 THR 29 -17.427 -4.080 14.298 243 2HG2 THR 29 2HG2 THR 29 -18.703 -3.633 15.437 244 3HG2 THR 29 3HG2 THR 29 -19.107 -4.559 13.978 245 HA PRO 30 HA PRO 30 -22.525 -1.153 17.083 246 1HB PRO 30 HB2 PRO 30 -22.243 -4.053 17.892 247 2HB PRO 30 HB3 PRO 30 -23.619 -2.947 18.160 248 1HG PRO 30 HG2 PRO 30 -23.708 -4.732 16.118 249 2HG PRO 30 HG3 PRO 30 -24.224 -3.041 15.843 250 1HD PRO 30 HD2 PRO 30 -21.560 -4.298 15.103 251 2HD PRO 30 HD3 PRO 30 -22.627 -3.197 14.175 252 H ASP 31 H ASP 31 -19.845 -3.579 17.428 253 HA ASP 31 HA ASP 31 -18.469 -1.801 19.317 254 1HB ASP 31 HB2 ASP 31 -20.059 -3.252 20.658 255 2HB ASP 31 HB3 ASP 31 -19.208 -4.671 20.047 256 HA PRO 32 HA PRO 32 -15.025 -3.519 16.904 257 1HB PRO 32 HB2 PRO 32 -13.732 -3.329 19.646 258 2HB PRO 32 HB3 PRO 32 -12.998 -2.989 18.051 259 1HG PRO 32 HG2 PRO 32 -13.933 -0.929 19.528 260 2HG PRO 32 HG3 PRO 32 -14.358 -1.010 17.793 261 1HD PRO 32 HD2 PRO 32 -16.054 -1.786 20.168 262 2HD PRO 32 HD3 PRO 32 -16.512 -0.898 18.684 263 H ALA 33 H ALA 33 -15.734 -4.892 20.179 264 HA ALA 33 HA ALA 33 -14.449 -7.369 19.869 265 1HB ALA 33 HB1 ALA 33 -17.049 -6.776 21.345 266 2HB ALA 33 HB2 ALA 33 -15.969 -8.158 21.620 267 3HB ALA 33 HB3 ALA 33 -15.412 -6.514 21.990 268 H ALA 34 H ALA 34 -17.531 -6.259 18.533 269 HA ALA 34 HA ALA 34 -18.690 -8.796 17.947 270 1HB ALA 34 HB1 ALA 34 -20.196 -7.578 16.525 271 2HB ALA 34 HB2 ALA 34 -19.894 -6.581 17.966 272 3HB ALA 34 HB3 ALA 34 -19.096 -6.196 16.423 273 H LEU 35 H LEU 35 -15.986 -7.112 16.468 274 HA LEU 35 HA LEU 35 -16.125 -8.231 13.866 275 1HB LEU 35 HB2 LEU 35 -13.711 -7.477 15.533 276 2HB LEU 35 HB3 LEU 35 -13.679 -7.827 13.805 277 HG LEU 35 HG LEU 35 -15.283 -5.536 15.045 278 1HD1 LEU 35 1HD1 LEU 35 -13.545 -4.081 14.107 279 2HD1 LEU 35 2HD1 LEU 35 -12.845 -5.207 15.283 280 3HD1 LEU 35 3HD1 LEU 35 -12.635 -5.499 13.542 281 1HD2 LEU 35 1HD2 LEU 35 -14.717 -6.267 12.150 282 2HD2 LEU 35 2HD2 LEU 35 -16.298 -6.217 12.962 283 3HD2 LEU 35 3HD2 LEU 35 -15.401 -4.722 12.698 284 H LYS 36 H LYS 36 -15.573 -9.855 16.916 285 HA LYS 36 HA LYS 36 -14.106 -12.083 15.950 286 1HB LYS 36 HB2 LYS 36 -14.897 -13.211 17.904 287 2HB LYS 36 HB3 LYS 36 -14.533 -11.531 18.325 288 1HG LYS 36 HG2 LYS 36 -17.066 -11.067 18.004 289 2HG LYS 36 HG3 LYS 36 -17.264 -12.807 17.958 290 1HD LYS 36 HD2 LYS 36 -16.033 -11.200 20.244 291 2HD LYS 36 HD3 LYS 36 -17.678 -11.850 20.201 292 1HE LYS 36 HE2 LYS 36 -16.730 -14.172 20.027 293 2HE LYS 36 HE3 LYS 36 -15.100 -13.493 20.205 294 1HZ LYS 36 HZ1 LYS 36 -15.966 -14.272 22.269 295 2HZ LYS 36 HZ2 LYS 36 -15.739 -12.642 22.328 296 3HZ LYS 36 HZ3 LYS 36 -17.260 -13.258 22.172 297 H ASP 37 H ASP 37 -17.498 -11.170 15.469 298 HA ASP 37 HA ASP 37 -18.586 -13.771 15.110 299 1HB ASP 37 HB2 ASP 37 -19.400 -11.033 14.057 300 2HB ASP 37 HB3 ASP 37 -20.340 -12.494 13.747 301 H ARG 38 H ARG 38 -18.539 -15.179 13.412 302 HA ARG 38 HA ARG 38 -16.690 -15.219 11.415 303 1HB ARG 38 HB2 ARG 38 -19.506 -16.364 11.356 304 2HB ARG 38 HB3 ARG 38 -18.223 -16.800 10.213 305 1HG ARG 38 HG2 ARG 38 -16.794 -17.581 12.076 306 2HG ARG 38 HG3 ARG 38 -18.076 -17.208 13.238 307 1HD ARG 38 HD2 ARG 38 -18.258 -19.244 10.968 308 2HD ARG 38 HD3 ARG 38 -18.029 -19.587 12.670 309 HE ARG 38 HE ARG 38 -20.203 -18.995 13.210 310 1HH1 ARG 38 1HH2 ARG 38 -19.696 -18.622 9.719 311 2HH1 ARG 38 2HH2 ARG 38 -21.393 -18.670 9.340 312 1HH2 ARG 38 1HH1 ARG 38 -22.403 -19.018 12.717 313 2HH2 ARG 38 2HH1 ARG 38 -22.956 -18.879 11.072 314 H ARG 39 H ARG 39 -19.965 -13.881 11.093 315 HA ARG 39 HA ARG 39 -20.052 -13.091 8.399 316 1HB ARG 39 HB2 ARG 39 -20.960 -11.564 10.860 317 2HB ARG 39 HB3 ARG 39 -21.541 -11.277 9.214 318 1HG ARG 39 HG2 ARG 39 -22.632 -13.468 9.180 319 2HG ARG 39 HG3 ARG 39 -21.985 -13.871 10.778 320 1HD ARG 39 HD2 ARG 39 -23.942 -11.611 10.167 321 2HD ARG 39 HD3 ARG 39 -24.297 -13.132 10.962 322 HE ARG 39 HE ARG 39 -23.225 -12.491 12.915 323 1HH1 ARG 39 1HH2 ARG 39 -22.954 -9.888 10.515 324 2HH1 ARG 39 2HH2 ARG 39 -22.467 -8.693 11.681 325 1HH2 ARG 39 1HH1 ARG 39 -22.539 -10.936 14.426 326 2HH2 ARG 39 2HH1 ARG 39 -22.325 -9.279 13.938 327 H MET 40 H MET 40 -18.745 -11.316 11.255 328 HA MET 40 HA MET 40 -17.996 -9.002 9.696 329 1HB MET 40 HB2 MET 40 -17.314 -9.857 12.545 330 2HB MET 40 HB3 MET 40 -16.904 -8.316 11.788 331 1HG MET 40 HG2 MET 40 -19.687 -9.368 12.381 332 2HG MET 40 HG3 MET 40 -18.848 -8.028 13.171 333 1HE MET 40 HE1 MET 40 -17.622 -6.452 10.595 334 2HE MET 40 HE2 MET 40 -18.927 -5.277 10.351 335 3HE MET 40 HE3 MET 40 -18.395 -5.666 11.997 336 H GLU 41 H GLU 41 -16.286 -11.806 11.155 337 HA GLU 41 HA GLU 41 -13.685 -11.138 10.396 338 1HB GLU 41 HB2 GLU 41 -14.339 -13.064 11.805 339 2HB GLU 41 HB3 GLU 41 -15.029 -13.874 10.389 340 1HG GLU 41 HG2 GLU 41 -12.788 -14.016 9.354 341 2HG GLU 41 HG3 GLU 41 -12.093 -13.145 10.735 342 H ASN 42 H ASN 42 -16.216 -12.719 8.447 343 HA ASN 42 HA ASN 42 -14.617 -12.945 6.045 344 1HB ASN 42 HB2 ASN 42 -17.601 -13.065 6.572 345 2HB ASN 42 HB3 ASN 42 -16.954 -13.011 4.930 346 1HD2 ASN 42 2HD2 ASN 42 -16.661 -14.877 8.002 347 2HD2 ASN 42 1HD2 ASN 42 -16.210 -16.377 7.193 348 H LEU 43 H LEU 43 -16.921 -10.410 7.174 349 HA LEU 43 HA LEU 43 -16.682 -8.829 4.821 350 1HB LEU 43 HB2 LEU 43 -18.489 -8.595 6.459 351 2HB LEU 43 HB3 LEU 43 -17.341 -8.016 7.675 352 HG LEU 43 HG LEU 43 -16.898 -5.989 6.376 353 1HD1 LEU 43 1HD1 LEU 43 -18.306 -5.458 4.389 354 2HD1 LEU 43 2HD1 LEU 43 -17.175 -6.766 4.060 355 3HD1 LEU 43 3HD1 LEU 43 -18.892 -7.134 4.365 356 1HD2 LEU 43 1HD2 LEU 43 -19.882 -6.554 6.660 357 2HD2 LEU 43 2HD2 LEU 43 -18.797 -6.040 7.967 358 3HD2 LEU 43 3HD2 LEU 43 -19.100 -4.959 6.592 359 H VAL 44 H VAL 44 -14.792 -8.925 7.786 360 HA VAL 44 HA VAL 44 -13.022 -6.727 7.364 361 HB VAL 44 HB VAL 44 -12.897 -9.299 8.953 362 1HG1 VAL 44 1HG1 VAL 44 -10.923 -8.319 10.140 363 2HG1 VAL 44 2HG1 VAL 44 -10.565 -8.786 8.475 364 3HG1 VAL 44 3HG1 VAL 44 -10.827 -7.072 8.877 365 1HG2 VAL 44 1HG2 VAL 44 -14.457 -7.346 9.642 366 2HG2 VAL 44 2HG2 VAL 44 -13.338 -7.989 10.851 367 3HG2 VAL 44 3HG2 VAL 44 -12.972 -6.462 10.012 368 H ALA 45 H ALA 45 -12.766 -10.276 6.627 369 HA ALA 45 HA ALA 45 -10.311 -10.143 5.259 370 1HB ALA 45 HB1 ALA 45 -10.976 -12.221 4.161 371 2HB ALA 45 HB2 ALA 45 -11.393 -12.252 5.886 372 3HB ALA 45 HB3 ALA 45 -12.657 -11.993 4.666 373 H TYR 46 H TYR 46 -13.638 -9.754 3.892 374 HA TYR 46 HA TYR 46 -12.836 -9.188 1.233 375 1HB TYR 46 HB2 TYR 46 -15.182 -9.582 1.851 376 2HB TYR 46 HB3 TYR 46 -15.226 -8.105 2.804 377 HD1 TYR 46 HD1 TYR 46 -14.892 -9.433 -0.668 378 HD2 TYR 46 HD2 TYR 46 -15.526 -5.933 1.771 379 HE1 TYR 46 HE1 TYR 46 -15.298 -8.089 -2.703 380 HE2 TYR 46 HE2 TYR 46 -15.916 -4.585 -0.274 381 HH TYR 46 HH TYR 46 -15.705 -6.005 -3.549 382 H ALA 47 H ALA 47 -13.334 -6.897 3.970 383 HA ALA 47 HA ALA 47 -12.702 -4.557 2.525 384 1HB ALA 47 HB1 ALA 47 -13.810 -4.490 4.678 385 2HB ALA 47 HB2 ALA 47 -12.390 -5.179 5.486 386 3HB ALA 47 HB3 ALA 47 -12.303 -3.558 4.760 387 H LYS 48 H LYS 48 -10.540 -6.703 4.433 388 HA LYS 48 HA LYS 48 -8.092 -5.322 3.995 389 1HB LYS 48 HB2 LYS 48 -8.722 -8.271 4.410 390 2HB LYS 48 HB3 LYS 48 -7.077 -7.641 4.252 391 1HG LYS 48 HG2 LYS 48 -7.393 -6.175 6.179 392 2HG LYS 48 HG3 LYS 48 -9.068 -6.734 6.366 393 1HD LYS 48 HD2 LYS 48 -8.320 -9.022 6.782 394 2HD LYS 48 HD3 LYS 48 -6.629 -8.571 6.516 395 1HE LYS 48 HE2 LYS 48 -8.394 -7.396 8.720 396 2HE LYS 48 HE3 LYS 48 -7.295 -8.764 8.944 397 1HZ LYS 48 HZ1 LYS 48 -6.498 -6.062 8.115 398 2HZ LYS 48 HZ2 LYS 48 -6.299 -6.718 9.611 399 3HZ LYS 48 HZ3 LYS 48 -5.483 -7.343 8.324 400 H LYS 49 H LYS 49 -9.605 -7.981 2.109 401 HA LYS 49 HA LYS 49 -7.669 -8.117 0.065 402 1HB LYS 49 HB2 LYS 49 -10.632 -8.730 0.150 403 2HB LYS 49 HB3 LYS 49 -9.674 -9.016 -1.298 404 1HG LYS 49 HG2 LYS 49 -8.191 -10.516 -0.109 405 2HG LYS 49 HG3 LYS 49 -8.963 -10.156 1.442 406 1HD LYS 49 HD2 LYS 49 -11.098 -11.106 0.614 407 2HD LYS 49 HD3 LYS 49 -10.334 -11.469 -0.950 408 1HE LYS 49 HE2 LYS 49 -8.701 -12.961 0.209 409 2HE LYS 49 HE3 LYS 49 -9.484 -12.603 1.761 410 1HZ LYS 49 HZ1 LYS 49 -10.756 -13.907 -0.543 411 2HZ LYS 49 HZ2 LYS 49 -10.248 -14.651 0.837 412 3HZ LYS 49 HZ3 LYS 49 -11.490 -13.570 0.894 413 H VAL 50 H VAL 50 -10.718 -6.165 0.094 414 HA VAL 50 HA VAL 50 -10.170 -5.073 -2.445 415 HB VAL 50 HB VAL 50 -12.383 -5.213 -0.904 416 1HG1 VAL 50 1HG1 VAL 50 -13.241 -3.015 -0.387 417 2HG1 VAL 50 2HG1 VAL 50 -11.789 -3.337 0.576 418 3HG1 VAL 50 3HG1 VAL 50 -11.712 -2.246 -0.835 419 1HG2 VAL 50 1HG2 VAL 50 -11.928 -3.258 -3.171 420 2HG2 VAL 50 2HG2 VAL 50 -12.296 -4.997 -3.322 421 3HG2 VAL 50 3HG2 VAL 50 -13.489 -3.900 -2.606 422 H GLU 51 H GLU 51 -9.544 -3.661 0.848 423 HA GLU 51 HA GLU 51 -8.414 -1.260 -0.085 424 1HB GLU 51 HB2 GLU 51 -9.078 -1.717 2.222 425 2HB GLU 51 HB3 GLU 51 -7.766 -2.885 2.391 426 1HG GLU 51 HG2 GLU 51 -7.268 0.028 1.615 427 2HG GLU 51 HG3 GLU 51 -7.457 -0.439 3.301 428 H GLY 52 H GLY 52 -6.889 -4.459 0.505 429 1HA GLY 52 HA2 GLY 52 -4.244 -3.883 -0.239 430 2HA GLY 52 HA3 GLY 52 -5.080 -5.426 -0.505 431 H ASP 53 H ASP 53 -6.954 -5.007 -2.343 432 HA ASP 53 HA ASP 53 -5.653 -4.897 -4.810 433 1HB ASP 53 HB2 ASP 53 -7.906 -5.858 -4.443 434 2HB ASP 53 HB3 ASP 53 -8.569 -4.223 -4.281 435 H MET 54 H MET 54 -7.483 -2.263 -3.176 436 HA MET 54 HA MET 54 -7.000 -0.291 -5.170 437 1HB MET 54 HB2 MET 54 -7.442 0.044 -2.172 438 2HB MET 54 HB3 MET 54 -7.431 1.347 -3.351 439 1HG MET 54 HG2 MET 54 -9.431 -0.902 -3.064 440 2HG MET 54 HG3 MET 54 -9.703 0.831 -3.032 441 1HE MET 54 HE1 MET 54 -11.765 0.559 -4.336 442 2HE MET 54 HE2 MET 54 -11.929 -0.235 -5.929 443 3HE MET 54 HE3 MET 54 -11.552 -1.211 -4.480 444 H TYR 55 H TYR 55 -5.097 -1.100 -2.236 445 HA TYR 55 HA TYR 55 -3.138 0.906 -2.534 446 1HB TYR 55 HB2 TYR 55 -3.612 -0.776 -0.607 447 2HB TYR 55 HB3 TYR 55 -2.521 -1.857 -1.454 448 HD1 TYR 55 HD1 TYR 55 -0.095 -1.037 -1.875 449 HD2 TYR 55 HD2 TYR 55 -2.840 0.980 0.767 450 HE1 TYR 55 HE1 TYR 55 1.803 0.010 -0.676 451 HE2 TYR 55 HE2 TYR 55 -0.952 2.079 1.904 452 HH TYR 55 HH TYR 55 1.371 2.174 2.151 453 H GLU 56 H GLU 56 -3.170 -2.457 -3.811 454 HA GLU 56 HA GLU 56 -0.673 -2.251 -5.189 455 1HB GLU 56 HB2 GLU 56 -3.065 -4.078 -5.600 456 2HB GLU 56 HB3 GLU 56 -1.463 -4.322 -6.302 457 1HG GLU 56 HG2 GLU 56 -2.021 -4.258 -3.308 458 2HG GLU 56 HG3 GLU 56 -1.851 -5.709 -4.280 459 H SER 57 H SER 57 -4.015 -1.510 -6.167 460 HA SER 57 HA SER 57 -3.425 -1.178 -8.968 461 1HB SER 57 HB2 SER 57 -5.667 -1.671 -8.082 462 2HB SER 57 HB3 SER 57 -5.705 -0.106 -7.250 463 HG SER 57 HG SER 57 -6.780 -0.036 -9.265 464 H ALA 58 H ALA 58 -3.724 1.118 -6.240 465 HA ALA 58 HA ALA 58 -3.683 3.465 -7.799 466 1HB ALA 58 HB1 ALA 58 -3.141 2.969 -4.869 467 2HB ALA 58 HB2 ALA 58 -3.326 4.574 -5.613 468 3HB ALA 58 HB3 ALA 58 -4.671 3.409 -5.659 469 H ASN 59 H ASN 59 -1.968 3.935 -9.115 470 HA ASN 59 HA ASN 59 0.770 3.561 -8.374 471 1HB ASN 59 HB2 ASN 59 -0.426 3.865 -10.715 472 2HB ASN 59 HB3 ASN 59 -0.020 5.566 -10.478 473 1HD2 ASN 59 2HD2 ASN 59 2.578 5.418 -9.327 474 2HD2 ASN 59 1HD2 ASN 59 3.627 4.588 -10.468 475 H SER 60 H SER 60 -1.398 5.852 -7.077 476 HA SER 60 HA SER 60 0.768 7.391 -5.897 477 1HB SER 60 HB2 SER 60 -1.113 8.694 -7.884 478 2HB SER 60 HB3 SER 60 -0.247 9.590 -6.618 479 HG SER 60 HG SER 60 1.299 7.868 -8.146 480 H ARG 61 H ARG 61 0.100 8.546 -4.084 481 HA ARG 61 HA ARG 61 -1.803 7.349 -2.473 482 1HB ARG 61 HB2 ARG 61 0.054 8.639 -1.646 483 2HB ARG 61 HB3 ARG 61 -0.590 10.138 -2.337 484 1HG ARG 61 HG2 ARG 61 -2.463 10.122 -0.783 485 2HG ARG 61 HG3 ARG 61 -2.019 8.498 -0.201 486 1HD ARG 61 HD2 ARG 61 0.079 9.332 0.651 487 2HD ARG 61 HD3 ARG 61 -0.250 10.961 0.022 488 HE ARG 61 HE ARG 61 -2.425 10.530 1.609 489 1HH1 ARG 61 1HH2 ARG 61 1.081 10.396 2.186 490 2HH1 ARG 61 2HH2 ARG 61 0.914 10.794 3.889 491 1HH2 ARG 61 1HH1 ARG 61 -2.572 11.134 3.768 492 2HH2 ARG 61 2HH1 ARG 61 -1.130 11.192 4.786 493 H ASP 62 H ASP 62 -2.160 10.428 -4.301 494 HA ASP 62 HA ASP 62 -4.761 11.090 -3.525 495 1HB ASP 62 HB2 ASP 62 -4.877 12.414 -5.501 496 2HB ASP 62 HB3 ASP 62 -3.246 12.543 -4.848 497 H GLU 63 H GLU 63 -3.705 8.910 -6.169 498 HA GLU 63 HA GLU 63 -6.315 8.217 -7.052 499 1HB GLU 63 HB2 GLU 63 -4.218 7.775 -8.336 500 2HB GLU 63 HB3 GLU 63 -3.795 6.495 -7.187 501 1HG GLU 63 HG2 GLU 63 -4.774 5.539 -9.182 502 2HG GLU 63 HG3 GLU 63 -5.811 5.231 -7.790 503 H TYR 64 H TYR 64 -4.100 6.623 -4.712 504 HA TYR 64 HA TYR 64 -5.702 4.463 -3.940 505 1HB TYR 64 HB2 TYR 64 -3.436 4.648 -3.192 506 2HB TYR 64 HB3 TYR 64 -3.762 6.137 -2.339 507 HD1 TYR 64 HD1 TYR 64 -4.230 6.128 -0.063 508 HD2 TYR 64 HD2 TYR 64 -4.882 2.553 -2.379 509 HE1 TYR 64 HE1 TYR 64 -4.673 4.866 2.013 510 HE2 TYR 64 HE2 TYR 64 -5.234 1.265 -0.294 511 HH TYR 64 HH TYR 64 -5.059 1.324 2.023 512 H TYR 65 H TYR 65 -5.779 7.779 -2.555 513 HA TYR 65 HA TYR 65 -8.019 7.126 -0.837 514 1HB TYR 65 HB2 TYR 65 -6.696 9.694 -1.721 515 2HB TYR 65 HB3 TYR 65 -8.248 9.731 -0.891 516 HD1 TYR 65 HD1 TYR 65 -4.663 9.175 -0.423 517 HD2 TYR 65 HD2 TYR 65 -8.554 8.581 1.310 518 HE1 TYR 65 HE1 TYR 65 -3.609 8.407 1.694 519 HE2 TYR 65 HE2 TYR 65 -7.521 7.901 3.435 520 HH TYR 65 HH TYR 65 -5.524 7.551 4.568 521 H HIS 66 H HIS 66 -7.846 8.656 -4.090 522 HA HIS 66 HA HIS 66 -10.576 9.194 -4.362 523 1HB HIS 66 HB2 HIS 66 -8.973 10.037 -5.956 524 2HB HIS 66 HB3 HIS 66 -8.589 8.399 -6.505 525 HD2 HIS 66 HD2 HIS 66 -10.273 7.189 -8.159 526 HE1 HIS 66 HE1 HIS 66 -13.384 10.087 -8.160 527 HE2 HIS 66 HE2 HIS 66 -12.621 7.857 -9.116 528 H LEU 67 H LEU 67 -8.928 6.177 -5.597 529 HA LEU 67 HA LEU 67 -11.492 5.176 -6.368 530 1HB LEU 67 HB2 LEU 67 -10.353 2.944 -6.714 531 2HB LEU 67 HB3 LEU 67 -10.022 4.319 -7.758 532 HG LEU 67 HG LEU 67 -7.876 4.693 -6.798 533 1HD1 LEU 67 1HD1 LEU 67 -8.709 2.552 -4.821 534 2HD1 LEU 67 2HD1 LEU 67 -7.004 2.982 -5.081 535 3HD1 LEU 67 3HD1 LEU 67 -8.163 4.193 -4.501 536 1HD2 LEU 67 1HD2 LEU 67 -8.193 1.727 -7.331 537 2HD2 LEU 67 2HD2 LEU 67 -8.059 2.992 -8.573 538 3HD2 LEU 67 3HD2 LEU 67 -6.703 2.692 -7.472 539 H LEU 68 H LEU 68 -9.817 4.881 -3.273 540 HA LEU 68 HA LEU 68 -11.647 2.865 -2.276 541 1HB LEU 68 HB2 LEU 68 -9.830 4.902 -0.946 542 2HB LEU 68 HB3 LEU 68 -10.989 3.974 0.009 543 HG LEU 68 HG LEU 68 -8.929 2.653 -1.786 544 1HD1 LEU 68 1HD1 LEU 68 -7.738 3.872 -0.030 545 2HD1 LEU 68 2HD1 LEU 68 -8.830 3.218 1.214 546 3HD1 LEU 68 3HD1 LEU 68 -7.741 2.129 0.337 547 1HD2 LEU 68 1HD2 LEU 68 -10.509 1.579 0.598 548 2HD2 LEU 68 2HD2 LEU 68 -10.976 1.239 -1.077 549 3HD2 LEU 68 3HD2 LEU 68 -9.433 0.660 -0.456 550 H ALA 69 H ALA 69 -11.624 6.473 -2.051 551 HA ALA 69 HA ALA 69 -14.092 6.651 -0.641 552 1HB ALA 69 HB1 ALA 69 -14.135 8.974 -1.444 553 2HB ALA 69 HB2 ALA 69 -12.531 8.511 -0.844 554 3HB ALA 69 HB3 ALA 69 -12.828 8.615 -2.596 555 H GLU 70 H GLU 70 -13.422 6.612 -4.158 556 HA GLU 70 HA GLU 70 -16.074 6.760 -5.113 557 1HB GLU 70 HB2 GLU 70 -14.098 6.957 -6.541 558 2HB GLU 70 HB3 GLU 70 -13.686 5.259 -6.240 559 1HG GLU 70 HG2 GLU 70 -15.710 4.493 -7.365 560 2HG GLU 70 HG3 GLU 70 -16.254 6.153 -7.625 561 H LYS 71 H LYS 71 -14.115 3.811 -4.270 562 HA LYS 71 HA LYS 71 -16.069 1.902 -4.794 563 1HB LYS 71 HB2 LYS 71 -13.811 1.376 -4.366 564 2HB LYS 71 HB3 LYS 71 -13.880 1.957 -2.705 565 1HG LYS 71 HG2 LYS 71 -13.820 -0.483 -2.911 566 2HG LYS 71 HG3 LYS 71 -15.227 0.093 -2.019 567 1HD LYS 71 HD2 LYS 71 -16.706 -0.379 -3.794 568 2HD LYS 71 HD3 LYS 71 -15.394 -0.528 -4.986 569 1HE LYS 71 HE2 LYS 71 -14.659 -2.604 -4.100 570 2HE LYS 71 HE3 LYS 71 -15.590 -2.413 -2.603 571 1HZ LYS 71 HZ1 LYS 71 -16.707 -2.855 -5.277 572 2HZ LYS 71 HZ2 LYS 71 -16.624 -3.943 -4.035 573 3HZ LYS 71 HZ3 LYS 71 -17.586 -2.612 -3.902 574 H ILE 72 H ILE 72 -15.512 3.627 -1.667 575 HA ILE 72 HA ILE 72 -17.756 2.573 -0.272 576 HB ILE 72 HB ILE 72 -16.343 5.252 -0.095 577 1HG1 ILE 72 2HG1 ILE 72 -16.274 2.773 1.671 578 2HG1 ILE 72 3HG1 ILE 72 -15.031 3.253 0.491 579 1HG2 ILE 72 1HG2 ILE 72 -18.603 4.188 1.622 580 2HG2 ILE 72 2HG2 ILE 72 -17.518 5.513 2.121 581 3HG2 ILE 72 3HG2 ILE 72 -18.520 5.706 0.701 582 1HD1 ILE 72 1HD1 ILE 72 -15.724 4.663 3.076 583 2HD1 ILE 72 2HD1 ILE 72 -14.180 4.008 2.516 584 3HD1 ILE 72 3HD1 ILE 72 -14.849 5.448 1.735 585 H TYR 73 H TYR 73 -17.531 5.521 -2.266 586 HA TYR 73 HA TYR 73 -20.100 6.524 -2.024 587 1HB TYR 73 HB2 TYR 73 -18.013 7.434 -3.145 588 2HB TYR 73 HB3 TYR 73 -18.494 6.549 -4.584 589 HD1 TYR 73 HD1 TYR 73 -21.635 7.444 -3.840 590 HD2 TYR 73 HD2 TYR 73 -17.885 9.491 -4.393 591 HE1 TYR 73 HE1 TYR 73 -22.757 9.121 -5.247 592 HE2 TYR 73 HE2 TYR 73 -19.013 11.188 -5.752 593 HH TYR 73 HH TYR 73 -20.954 11.727 -6.912 594 H LYS 74 H LYS 74 -18.908 4.300 -4.548 595 HA LYS 74 HA LYS 74 -21.423 3.749 -5.756 596 1HB LYS 74 HB2 LYS 74 -18.915 2.015 -5.597 597 2HB LYS 74 HB3 LYS 74 -20.324 1.700 -6.616 598 1HG LYS 74 HG2 LYS 74 -19.964 4.079 -7.593 599 2HG LYS 74 HG3 LYS 74 -18.405 4.059 -6.771 600 1HD LYS 74 HD2 LYS 74 -17.830 3.283 -8.890 601 2HD LYS 74 HD3 LYS 74 -18.028 1.767 -7.992 602 1HE LYS 74 HE2 LYS 74 -20.426 1.663 -8.876 603 2HE LYS 74 HE3 LYS 74 -20.081 3.141 -9.795 604 1HZ LYS 74 HZ1 LYS 74 -18.684 0.579 -10.112 605 2HZ LYS 74 HZ2 LYS 74 -19.818 1.200 -11.133 606 3HZ LYS 74 HZ3 LYS 74 -18.366 1.959 -10.956 607 H ILE 75 H ILE 75 -19.685 1.869 -3.165 608 HA ILE 75 HA ILE 75 -21.616 -0.136 -2.873 609 HB ILE 75 HB ILE 75 -19.898 1.198 -0.739 610 1HG1 ILE 75 2HG1 ILE 75 -19.719 -1.528 -2.141 611 2HG1 ILE 75 3HG1 ILE 75 -18.852 -0.114 -2.712 612 1HG2 ILE 75 1HG2 ILE 75 -21.563 -1.367 -0.542 613 2HG2 ILE 75 2HG2 ILE 75 -20.434 -0.758 0.678 614 3HG2 ILE 75 3HG2 ILE 75 -21.905 0.123 0.345 615 1HD1 ILE 75 1HD1 ILE 75 -17.317 -1.395 -1.415 616 2HD1 ILE 75 2HD1 ILE 75 -17.706 0.053 -0.469 617 3HD1 ILE 75 3HD1 ILE 75 -18.432 -1.521 -0.059 618 H GLN 76 H GLN 76 -21.521 2.985 -1.052 619 HA GLN 76 HA GLN 76 -23.986 2.598 0.294 620 1HB GLN 76 HB2 GLN 76 -22.420 5.015 -0.594 621 2HB GLN 76 HB3 GLN 76 -23.965 5.227 0.216 622 1HG GLN 76 HG2 GLN 76 -21.711 3.528 1.408 623 2HG GLN 76 HG3 GLN 76 -21.890 5.256 1.713 624 1HE2 GLN 76 2HE2 GLN 76 -22.251 2.739 3.607 625 2HE2 GLN 76 1HE2 GLN 76 -23.804 3.114 4.297 626 H LYS 77 H LYS 77 -23.398 4.272 -2.850 627 HA LYS 77 HA LYS 77 -26.091 4.926 -3.373 628 1HB LYS 77 HB2 LYS 77 -23.749 4.358 -5.203 629 2HB LYS 77 HB3 LYS 77 -25.293 4.930 -5.818 630 1HG LYS 77 HG2 LYS 77 -23.615 6.390 -3.758 631 2HG LYS 77 HG3 LYS 77 -23.634 6.735 -5.489 632 1HD LYS 77 HD2 LYS 77 -25.331 8.174 -5.129 633 2HD LYS 77 HD3 LYS 77 -26.364 6.807 -4.704 634 1HE LYS 77 HE2 LYS 77 -25.482 6.999 -2.312 635 2HE LYS 77 HE3 LYS 77 -24.613 8.460 -2.813 636 1HZ LYS 77 HZ1 LYS 77 -27.511 8.026 -2.861 637 2HZ LYS 77 HZ2 LYS 77 -26.678 9.010 -1.835 638 3HZ LYS 77 HZ3 LYS 77 -26.767 9.384 -3.440 639 H GLU 78 H GLU 78 -24.375 1.908 -4.094 640 HA GLU 78 HA GLU 78 -26.630 0.752 -5.534 641 1HB GLU 78 HB2 GLU 78 -24.091 -0.431 -4.365 642 2HB GLU 78 HB3 GLU 78 -25.289 -1.370 -5.261 643 1HG GLU 78 HG2 GLU 78 -23.743 1.007 -6.394 644 2HG GLU 78 HG3 GLU 78 -23.412 -0.696 -6.699 645 H LEU 79 H LEU 79 -25.187 0.063 -2.322 646 HA LEU 79 HA LEU 79 -27.078 -1.827 -1.484 647 1HB LEU 79 HB2 LEU 79 -25.097 -0.023 -0.106 648 2HB LEU 79 HB3 LEU 79 -26.246 -0.858 0.892 649 HG LEU 79 HG LEU 79 -24.060 -2.006 0.636 650 1HD1 LEU 79 1HD1 LEU 79 -25.007 -4.248 0.524 651 2HD1 LEU 79 2HD1 LEU 79 -26.076 -3.170 1.435 652 3HD1 LEU 79 3HD1 LEU 79 -26.487 -3.631 -0.230 653 1HD2 LEU 79 1HD2 LEU 79 -23.681 -1.666 -1.802 654 2HD2 LEU 79 2HD2 LEU 79 -23.581 -3.362 -1.318 655 3HD2 LEU 79 3HD2 LEU 79 -25.025 -2.772 -2.155 656 H GLU 80 H GLU 80 -27.250 1.766 -1.157 657 HA GLU 80 HA GLU 80 -29.547 1.639 0.540 658 1HB GLU 80 HB2 GLU 80 -29.590 3.980 0.360 659 2HB GLU 80 HB3 GLU 80 -27.880 3.539 0.290 660 1HG GLU 80 HG2 GLU 80 -28.078 3.666 -2.255 661 2HG GLU 80 HG3 GLU 80 -29.720 4.267 -2.048 662 H GLU 81 H GLU 81 -29.403 0.917 -2.813 663 HA GLU 81 HA GLU 81 -31.126 2.326 -4.158 664 1HB GLU 81 HB2 GLU 81 -30.652 -0.623 -4.183 665 2HB GLU 81 HB3 GLU 81 -31.958 -0.002 -5.198 666 1HG GLU 81 HG2 GLU 81 -29.179 1.208 -5.299 667 2HG GLU 81 HG3 GLU 81 -29.666 -0.162 -6.305 668 H LYS 82 H LYS 82 -32.527 -0.158 -1.971 669 HA LYS 82 HA LYS 82 -35.263 0.834 -2.489 670 1HB LYS 82 HB2 LYS 82 -34.784 -1.538 -1.921 671 2HB LYS 82 HB3 LYS 82 -34.267 -1.029 -0.303 672 1HG LYS 82 HG2 LYS 82 -36.527 -0.060 0.098 673 2HG LYS 82 HG3 LYS 82 -37.005 -0.496 -1.555 674 1HD LYS 82 HD2 LYS 82 -36.694 -2.900 -1.020 675 2HD LYS 82 HD3 LYS 82 -36.116 -2.473 0.599 676 1HE LYS 82 HE2 LYS 82 -38.458 -3.190 0.696 677 2HE LYS 82 HE3 LYS 82 -38.314 -1.487 1.159 678 1HZ LYS 82 HZ1 LYS 82 -39.126 -2.467 -1.491 679 2HZ LYS 82 HZ2 LYS 82 -40.143 -1.891 -0.330 680 3HZ LYS 82 HZ3 LYS 82 -39.041 -0.888 -1.029 681 H ARG 83 H ARG 83 -34.491 3.040 -2.190 682 HA ARG 83 HA ARG 83 -33.976 4.090 0.477 683 1HB ARG 83 HB2 ARG 83 -34.949 5.470 -2.065 684 2HB ARG 83 HB3 ARG 83 -34.270 6.281 -0.642 685 1HG ARG 83 HG2 ARG 83 -32.106 5.191 -0.978 686 2HG ARG 83 HG3 ARG 83 -32.736 4.289 -2.354 687 1HD ARG 83 HD2 ARG 83 -33.226 6.460 -3.533 688 2HD ARG 83 HD3 ARG 83 -32.434 7.301 -2.198 689 HE ARG 83 HE ARG 83 -30.358 6.601 -2.938 690 1HH1 ARG 83 2HH2 ARG 83 -32.826 4.677 -4.653 691 2HH1 ARG 83 1HH2 ARG 83 -31.648 4.009 -5.762 692 1HH2 ARG 83 1HH1 ARG 83 -28.884 5.534 -4.241 693 2HH2 ARG 83 2HH1 ARG 83 -29.415 4.402 -5.469 694 H ARG 84 H ARG 84 -35.884 6.270 0.597 695 HA ARG 84 HA ARG 84 -38.259 5.145 1.659 696 1HB ARG 84 HB2 ARG 84 -37.534 7.929 0.676 697 2HB ARG 84 HB3 ARG 84 -38.926 7.550 1.699 698 1HG ARG 84 HG2 ARG 84 -37.680 7.348 3.560 699 2HG ARG 84 HG3 ARG 84 -36.419 6.414 2.805 700 1HD ARG 84 HD2 ARG 84 -36.689 9.450 2.585 701 2HD ARG 84 HD3 ARG 84 -35.647 8.599 3.706 702 HE ARG 84 HE ARG 84 -34.271 7.770 2.008 703 1HH1 ARG 84 1HH1 ARG 84 -36.614 10.117 0.721 704 2HH1 ARG 84 2HH1 ARG 84 -35.598 10.572 -0.614 705 1HH2 ARG 84 1HH2 ARG 84 -32.981 8.358 0.262 706 2HH2 ARG 84 2HH2 ARG 84 -33.530 9.533 -0.902 707 H SER 85 H SER 85 -38.556 3.724 -0.213 708 HA SER 85 HA SER 85 -39.288 4.676 -2.807 709 1HB SER 85 HB2 SER 85 -39.572 1.902 -1.573 710 2HB SER 85 HB3 SER 85 -39.560 2.293 -3.300 711 HG SER 85 HG SER 85 -37.429 2.714 -1.446 712 H ARG 86 H ARG 86 -41.033 6.106 -1.495 713 HA ARG 86 HA ARG 86 -43.623 4.801 -1.084 714 1HB ARG 86 HB2 ARG 86 -42.861 7.728 -1.258 715 2HB ARG 86 HB3 ARG 86 -44.418 7.107 -0.719 716 1HG ARG 86 HG2 ARG 86 -41.719 6.657 0.647 717 2HG ARG 86 HG3 ARG 86 -42.992 7.759 1.174 718 1HD ARG 86 HD2 ARG 86 -43.159 4.717 1.095 719 2HD ARG 86 HD3 ARG 86 -43.034 5.747 2.528 720 HE ARG 86 HE ARG 86 -45.284 6.663 1.165 721 1HH1 ARG 86 1HH1 ARG 86 -44.260 3.654 2.703 722 2HH1 ARG 86 2HH1 ARG 86 -45.874 3.156 3.132 723 1HH2 ARG 86 1HH2 ARG 86 -47.395 6.034 1.716 724 2HH2 ARG 86 2HH2 ARG 86 -47.690 4.544 2.568 725 H LEU 87 H LEU 87 -43.210 3.843 -3.419 726 HA LEU 87 HA LEU 87 -45.112 5.244 -5.175 727 1HB LEU 87 HB2 LEU 87 -42.802 6.175 -5.639 728 2HB LEU 87 HB3 LEU 87 -42.317 4.583 -6.213 729 HG LEU 87 HG LEU 87 -44.612 6.259 -7.357 730 1HD1 LEU 87 1HD1 LEU 87 -42.418 7.370 -7.617 731 2HD1 LEU 87 2HD1 LEU 87 -41.760 5.900 -8.369 732 3HD1 LEU 87 3HD1 LEU 87 -43.051 6.818 -9.175 733 1HD2 LEU 87 1HD2 LEU 87 -43.239 3.726 -8.375 734 2HD2 LEU 87 2HD2 LEU 87 -44.967 3.942 -7.999 735 3HD2 LEU 87 3HD2 LEU 87 -44.261 4.768 -9.383 736 1H LYS 88 H1 LYS 88 -28.789 15.629 -1.020 737 2H LYS 88 H2 LYS 88 -29.003 16.155 -2.562 738 3H LYS 88 H3 LYS 88 -29.969 14.963 -1.955 739 HA LYS 88 HA LYS 88 -28.138 13.462 -1.756 740 1HB LYS 88 HB2 LYS 88 -28.391 14.703 -4.529 741 2HB LYS 88 HB3 LYS 88 -27.660 13.129 -4.162 742 1HG LYS 88 HG2 LYS 88 -29.873 12.452 -3.106 743 2HG LYS 88 HG3 LYS 88 -30.579 13.933 -3.773 744 1HD LYS 88 HD2 LYS 88 -29.247 11.696 -5.378 745 2HD LYS 88 HD3 LYS 88 -30.989 11.938 -5.186 746 1HE LYS 88 HE2 LYS 88 -30.791 14.177 -6.290 747 2HE LYS 88 HE3 LYS 88 -29.063 13.873 -6.560 748 1HZ LYS 88 HZ1 LYS 88 -30.346 13.331 -8.466 749 2HZ LYS 88 HZ2 LYS 88 -29.656 11.966 -7.854 750 3HZ LYS 88 HZ3 LYS 88 -31.263 12.254 -7.621 751 H GLU 89 H GLU 89 -27.075 16.255 -3.705 752 HA GLU 89 HA GLU 89 -24.447 15.920 -3.902 753 1HB GLU 89 HB2 GLU 89 -24.161 18.293 -4.029 754 2HB GLU 89 HB3 GLU 89 -25.653 17.804 -4.839 755 1HG GLU 89 HG2 GLU 89 -25.343 19.258 -2.186 756 2HG GLU 89 HG3 GLU 89 -26.072 19.859 -3.670 757 H LYS 90 H LYS 90 -25.810 17.407 -0.950 758 HA LYS 90 HA LYS 90 -23.301 17.765 0.370 759 1HB LYS 90 HB2 LYS 90 -26.127 17.373 1.450 760 2HB LYS 90 HB3 LYS 90 -24.755 17.775 2.468 761 1HG LYS 90 HG2 LYS 90 -25.905 19.490 0.227 762 2HG LYS 90 HG3 LYS 90 -26.066 19.759 1.953 763 1HD LYS 90 HD2 LYS 90 -23.543 20.006 0.259 764 2HD LYS 90 HD3 LYS 90 -24.417 21.283 1.091 765 1HE LYS 90 HE2 LYS 90 -22.804 19.044 2.410 766 2HE LYS 90 HE3 LYS 90 -22.386 20.756 2.318 767 1HZ LYS 90 HZ1 LYS 90 -23.306 20.197 4.425 768 2HZ LYS 90 HZ2 LYS 90 -24.318 21.240 3.644 769 3HZ LYS 90 HZ3 LYS 90 -24.693 19.636 3.741 770 H ARG 91 H ARG 91 -25.533 15.041 0.276 771 HA ARG 91 HA ARG 91 -24.215 13.503 2.375 772 1HB ARG 91 HB2 ARG 91 -26.523 13.182 1.998 773 2HB ARG 91 HB3 ARG 91 -26.335 12.847 0.287 774 1HG ARG 91 HG2 ARG 91 -25.047 11.037 2.351 775 2HG ARG 91 HG3 ARG 91 -26.771 10.939 1.992 776 1HD ARG 91 HD2 ARG 91 -26.207 10.726 -0.463 777 2HD ARG 91 HD3 ARG 91 -24.534 10.391 -0.023 778 HE ARG 91 HE ARG 91 -26.803 8.642 0.075 779 1HH1 ARG 91 2HH2 ARG 91 -23.903 9.351 1.965 780 2HH1 ARG 91 1HH2 ARG 91 -23.823 7.751 2.664 781 1HH2 ARG 91 1HH1 ARG 91 -26.633 6.550 0.871 782 2HH2 ARG 91 2HH1 ARG 91 -25.383 6.118 2.012 783 H ILE 92 H ILE 92 -24.169 13.638 -1.189 784 HA ILE 92 HA ILE 92 -22.269 11.540 -1.619 785 HB ILE 92 HB ILE 92 -23.266 13.913 -3.194 786 1HG1 ILE 92 2HG1 ILE 92 -23.623 12.126 -4.897 787 2HG1 ILE 92 3HG1 ILE 92 -22.893 10.959 -3.779 788 1HG2 ILE 92 1HG2 ILE 92 -20.899 14.135 -3.699 789 2HG2 ILE 92 2HG2 ILE 92 -20.740 12.381 -3.910 790 3HG2 ILE 92 3HG2 ILE 92 -21.689 13.354 -5.055 791 1HD1 ILE 92 1HD1 ILE 92 -25.346 10.847 -3.854 792 2HD1 ILE 92 2HD1 ILE 92 -24.727 11.199 -2.231 793 3HD1 ILE 92 3HD1 ILE 92 -25.439 12.498 -3.230 794 H LYS 93 H LYS 93 -21.745 15.091 -1.241 795 HA LYS 93 HA LYS 93 -18.933 14.808 -1.479 796 1HB LYS 93 HB2 LYS 93 -20.654 17.018 -0.319 797 2HB LYS 93 HB3 LYS 93 -18.905 17.184 -0.510 798 1HG LYS 93 HG2 LYS 93 -20.554 16.348 -2.910 799 2HG LYS 93 HG3 LYS 93 -20.612 18.018 -2.368 800 1HD LYS 93 HD2 LYS 93 -18.979 17.791 -4.125 801 2HD LYS 93 HD3 LYS 93 -18.188 18.270 -2.620 802 1HE LYS 93 HE2 LYS 93 -17.287 16.027 -2.304 803 2HE LYS 93 HE3 LYS 93 -18.264 15.389 -3.651 804 1HZ LYS 93 HZ1 LYS 93 -17.010 16.783 -5.118 805 2HZ LYS 93 HZ2 LYS 93 -16.102 17.358 -3.864 806 3HZ LYS 93 HZ3 LYS 93 -16.030 15.760 -4.273 807 H GLU 94 H GLU 94 -20.998 15.021 1.430 808 HA GLU 94 HA GLU 94 -18.956 14.874 3.388 809 1HB GLU 94 HB2 GLU 94 -21.818 13.854 3.294 810 2HB GLU 94 HB3 GLU 94 -20.816 13.733 4.747 811 1HG GLU 94 HG2 GLU 94 -20.617 16.089 4.982 812 2HG GLU 94 HG3 GLU 94 -21.165 16.405 3.334 813 H LEU 95 H LEU 95 -20.771 12.181 1.782 814 HA LEU 95 HA LEU 95 -19.384 10.094 3.059 815 1HB LEU 95 HB2 LEU 95 -21.479 9.817 1.814 816 2HB LEU 95 HB3 LEU 95 -20.660 10.220 0.300 817 HG LEU 95 HG LEU 95 -19.237 8.172 0.549 818 1HD1 LEU 95 1HD1 LEU 95 -20.039 6.414 2.168 819 2HD1 LEU 95 2HD1 LEU 95 -19.305 7.800 2.976 820 3HD1 LEU 95 3HD1 LEU 95 -21.076 7.627 2.932 821 1HD2 LEU 95 1HD2 LEU 95 -20.990 6.622 -0.048 822 2HD2 LEU 95 2HD2 LEU 95 -22.240 7.689 0.611 823 3HD2 LEU 95 3HD2 LEU 95 -21.307 8.201 -0.805 824 H GLU 96 H GLU 96 -18.705 11.641 -0.116 825 HA GLU 96 HA GLU 96 -16.450 10.094 -0.816 826 1HB GLU 96 HB2 GLU 96 -17.711 11.514 -2.345 827 2HB GLU 96 HB3 GLU 96 -17.148 12.971 -1.523 828 1HG GLU 96 HG2 GLU 96 -14.814 12.453 -2.183 829 2HG GLU 96 HG3 GLU 96 -15.359 10.951 -2.950 830 H LEU 97 H LEU 97 -16.662 13.225 0.911 831 HA LEU 97 HA LEU 97 -13.893 13.647 1.262 832 1HB LEU 97 HB2 LEU 97 -15.579 15.410 1.430 833 2HB LEU 97 HB3 LEU 97 -16.301 14.626 2.841 834 HG LEU 97 HG LEU 97 -14.250 15.069 4.159 835 1HD1 LEU 97 1HD1 LEU 97 -13.311 16.529 1.644 836 2HD1 LEU 97 2HD1 LEU 97 -12.558 16.663 3.246 837 3HD1 LEU 97 3HD1 LEU 97 -12.532 15.117 2.392 838 1HD2 LEU 97 1HD2 LEU 97 -16.127 16.660 4.164 839 2HD2 LEU 97 2HD2 LEU 97 -14.578 17.503 4.335 840 3HD2 LEU 97 3HD2 LEU 97 -15.425 17.514 2.773 841 H LEU 98 H LEU 98 -16.310 12.063 3.389 842 HA LEU 98 HA LEU 98 -14.998 11.946 5.748 843 1HB LEU 98 HB2 LEU 98 -17.249 11.121 5.434 844 2HB LEU 98 HB3 LEU 98 -16.673 9.776 4.442 845 HG LEU 98 HG LEU 98 -15.554 8.768 6.394 846 1HD1 LEU 98 1HD1 LEU 98 -14.990 10.751 7.733 847 2HD1 LEU 98 2HD1 LEU 98 -16.714 11.142 7.929 848 3HD1 LEU 98 3HD1 LEU 98 -16.032 9.681 8.675 849 1HD2 LEU 98 1HD2 LEU 98 -18.459 9.519 6.915 850 2HD2 LEU 98 2HD2 LEU 98 -17.898 8.207 5.857 851 3HD2 LEU 98 3HD2 LEU 98 -17.592 8.129 7.601 852 H LEU 99 H LEU 99 -14.552 9.466 3.168 853 HA LEU 99 HA LEU 99 -12.733 7.902 4.648 854 1HB LEU 99 HB2 LEU 99 -13.965 7.310 2.540 855 2HB LEU 99 HB3 LEU 99 -12.774 8.199 1.605 856 HG LEU 99 HG LEU 99 -12.477 5.746 1.628 857 1HD1 LEU 99 1HD1 LEU 99 -10.540 7.233 1.190 858 2HD1 LEU 99 2HD1 LEU 99 -10.074 7.072 2.907 859 3HD1 LEU 99 3HD1 LEU 99 -10.117 5.649 1.867 860 1HD2 LEU 99 1HD2 LEU 99 -11.726 4.523 3.528 861 2HD2 LEU 99 2HD2 LEU 99 -11.547 5.987 4.511 862 3HD2 LEU 99 3HD2 LEU 99 -13.166 5.425 4.050 863 H MET 100 H MET 100 -12.125 10.512 2.294 864 HA MET 100 HA MET 100 -9.277 10.508 2.380 865 1HB MET 100 HB2 MET 100 -11.128 12.882 1.907 866 2HB MET 100 HB3 MET 100 -9.431 12.725 1.437 867 1HG MET 100 HG2 MET 100 -10.050 10.820 -0.058 868 2HG MET 100 HG3 MET 100 -11.739 11.007 0.400 869 1HE MET 100 HE1 MET 100 -9.501 14.004 -2.271 870 2HE MET 100 HE2 MET 100 -9.127 13.896 -0.539 871 3HE MET 100 HE3 MET 100 -8.771 12.520 -1.617 872 H SER 101 H SER 101 -11.710 12.198 4.336 873 HA SER 101 HA SER 101 -9.946 13.728 5.887 874 1HB SER 101 HB2 SER 101 -12.419 14.055 5.646 875 2HB SER 101 HB3 SER 101 -12.671 12.701 6.766 876 HG SER 101 HG SER 101 -11.109 15.010 7.361 877 H THR 102 H THR 102 -10.372 10.274 6.026 878 HA THR 102 HA THR 102 -9.647 9.792 8.716 879 HB THR 102 HB THR 102 -8.639 8.267 6.272 880 HG1 THR 102 HG1 THR 102 -10.815 8.315 6.155 881 1HG2 THR 102 1HG2 THR 102 -9.075 7.474 9.184 882 2HG2 THR 102 2HG2 THR 102 -8.681 6.347 7.869 883 3HG2 THR 102 3HG2 THR 102 -7.509 7.585 8.350 884 H GLU 103 H GLU 103 -7.745 11.005 5.942 885 HA GLU 103 HA GLU 103 -5.148 10.751 7.155 886 1HB GLU 103 HB2 GLU 103 -6.236 12.731 5.090 887 2HB GLU 103 HB3 GLU 103 -4.523 12.481 5.458 888 1HG GLU 103 HG2 GLU 103 -4.645 10.168 4.695 889 2HG GLU 103 HG3 GLU 103 -6.390 10.297 4.416 890 H ASN 104 H ASN 104 -7.797 13.052 7.670 891 HA ASN 104 HA ASN 104 -6.085 14.990 9.083 892 1HB ASN 104 HB2 ASN 104 -9.112 14.707 9.269 893 2HB ASN 104 HB3 ASN 104 -8.114 16.076 9.744 894 1HD2 ASN 104 2HD2 ASN 104 -6.441 16.401 7.466 895 2HD2 ASN 104 1HD2 ASN 104 -7.478 16.829 6.118 896 H GLU 105 H GLU 105 -8.539 12.510 9.850 897 HA GLU 105 HA GLU 105 -8.441 12.536 12.622 898 1HB GLU 105 HB2 GLU 105 -9.966 11.222 11.089 899 2HB GLU 105 HB3 GLU 105 -8.668 10.027 10.914 900 1HG GLU 105 HG2 GLU 105 -8.721 9.677 13.402 901 2HG GLU 105 HG3 GLU 105 -10.097 10.787 13.492 902 H LEU 106 H LEU 106 -6.261 10.793 10.419 903 HA LEU 106 HA LEU 106 -4.550 9.863 12.686 904 1HB LEU 106 HB2 LEU 106 -5.458 8.821 10.061 905 2HB LEU 106 HB3 LEU 106 -3.766 8.578 10.335 906 HG LEU 106 HG LEU 106 -4.307 7.508 12.567 907 1HD1 LEU 106 1HD1 LEU 106 -7.182 7.838 11.585 908 2HD1 LEU 106 2HD1 LEU 106 -6.688 6.779 12.925 909 3HD1 LEU 106 3HD1 LEU 106 -6.478 8.524 13.065 910 1HD2 LEU 106 1HD2 LEU 106 -3.961 6.123 10.559 911 2HD2 LEU 106 2HD2 LEU 106 -5.161 5.402 11.643 912 3HD2 LEU 106 3HD2 LEU 106 -5.697 6.243 10.176 913 H LYS 107 H LYS 107 -4.519 12.571 11.141 914 HA LYS 107 HA LYS 107 -2.590 12.993 9.415 915 1HB LYS 107 HB2 LYS 107 -3.982 14.742 10.466 916 2HB LYS 107 HB3 LYS 107 -2.929 14.750 11.883 917 1HG LYS 107 HG2 LYS 107 -1.028 15.415 10.278 918 2HG LYS 107 HG3 LYS 107 -2.271 15.543 9.017 919 1HD LYS 107 HD2 LYS 107 -3.513 17.172 10.518 920 2HD LYS 107 HD3 LYS 107 -2.122 17.137 11.613 921 1HE LYS 107 HE2 LYS 107 -2.141 18.057 8.697 922 2HE LYS 107 HE3 LYS 107 -1.975 19.083 10.133 923 1HZ LYS 107 HZ1 LYS 107 -0.084 17.064 9.161 924 2HZ LYS 107 HZ2 LYS 107 0.137 18.689 9.167 925 3HZ LYS 107 HZ3 LYS 107 0.088 17.869 10.597 926 H GLY 108 H GLY 108 -1.540 13.461 12.768 927 1HA GLY 108 HA2 GLY 108 0.636 13.788 13.513 928 2HA GLY 108 HA3 GLY 108 0.589 12.034 13.310 929 H GLN 109 H GLN 109 2.041 11.134 11.936 930 HA GLN 109 HA GLN 109 3.991 12.854 10.566 931 1HB GLN 109 HB2 GLN 109 4.681 11.010 12.015 932 2HB GLN 109 HB3 GLN 109 3.903 9.833 10.958 933 1HG GLN 109 HG2 GLN 109 6.098 11.761 10.050 934 2HG GLN 109 HG3 GLN 109 6.434 10.163 10.729 935 1HE2 GLN 109 2HE2 GLN 109 7.182 11.063 8.050 936 2HE2 GLN 109 1HE2 GLN 109 6.349 9.978 6.952 937 H GLN 110 H GLN 110 1.559 10.368 9.804 938 HA GLN 110 HA GLN 110 2.297 9.818 7.155 939 1HB GLN 110 HB2 GLN 110 -0.419 9.660 8.511 940 2HB GLN 110 HB3 GLN 110 -0.028 8.890 6.967 941 1HG GLN 110 HG2 GLN 110 1.510 8.257 9.542 942 2HG GLN 110 HG3 GLN 110 0.044 7.423 9.041 943 1HE2 GLN 110 2HE2 GLN 110 3.434 8.113 7.944 944 2HE2 GLN 110 1HE2 GLN 110 3.510 6.693 6.924 945 H ALA 111 H ALA 111 0.295 12.457 8.381 946 HA ALA 111 HA ALA 111 0.521 13.702 5.670 947 1HB ALA 111 HB1 ALA 111 -1.690 14.707 5.913 948 2HB ALA 111 HB2 ALA 111 -1.821 12.940 5.931 949 3HB ALA 111 HB3 ALA 111 -1.946 13.850 7.444 950 H LEU 112 H LEU 112 2.460 13.964 7.583 951 HA LEU 112 HA LEU 112 2.196 16.089 9.372 952 1HB LEU 112 HB2 LEU 112 4.167 14.638 9.206 953 2HB LEU 112 HB3 LEU 112 4.558 15.306 7.618 954 HG LEU 112 HG LEU 112 5.007 17.518 8.660 955 1HD1 LEU 112 1HD1 LEU 112 3.514 17.456 10.616 956 2HD1 LEU 112 2HD1 LEU 112 4.400 16.064 11.280 957 3HD1 LEU 112 3HD1 LEU 112 5.183 17.653 11.154 958 1HD2 LEU 112 1HD2 LEU 112 6.464 15.191 9.983 959 2HD2 LEU 112 2HD2 LEU 112 6.817 15.867 8.378 960 3HD2 LEU 112 3HD2 LEU 112 7.071 16.854 9.828 Start of MODEL 6 1 1H GLY 1 H1 GLY 1 -9.177 0.287 -11.435 2 2H GLY 1 H2 GLY 1 -8.783 -1.315 -11.484 3 3H GLY 1 H3 GLY 1 -9.184 -0.609 -10.051 4 1HA GLY 1 HA2 GLY 1 -6.809 0.042 -11.651 5 2HA GLY 1 HA3 GLY 1 -7.266 0.799 -10.117 6 H VAL 2 H VAL 2 -6.294 -2.277 -11.634 7 HA VAL 2 HA VAL 2 -6.112 -3.730 -9.146 8 HB VAL 2 HB VAL 2 -4.970 -4.469 -11.855 9 1HG1 VAL 2 1HG1 VAL 2 -5.777 -6.110 -9.402 10 2HG1 VAL 2 2HG1 VAL 2 -5.302 -6.796 -10.962 11 3HG1 VAL 2 3HG1 VAL 2 -4.124 -5.886 -10.009 12 1HG2 VAL 2 1HG2 VAL 2 -7.734 -5.022 -10.694 13 2HG2 VAL 2 2HG2 VAL 2 -7.382 -4.016 -12.117 14 3HG2 VAL 2 3HG2 VAL 2 -7.066 -5.747 -12.172 15 H ARG 3 H ARG 3 -4.858 -1.978 -8.124 16 HA ARG 3 HA ARG 3 -2.121 -1.463 -8.825 17 1HB ARG 3 HB2 ARG 3 -3.847 -0.891 -6.414 18 2HB ARG 3 HB3 ARG 3 -2.144 -0.417 -6.473 19 1HG ARG 3 HG2 ARG 3 -3.688 0.271 -8.919 20 2HG ARG 3 HG3 ARG 3 -4.213 1.139 -7.460 21 1HD ARG 3 HD2 ARG 3 -2.065 2.094 -7.101 22 2HD ARG 3 HD3 ARG 3 -1.286 0.918 -8.174 23 HE ARG 3 HE ARG 3 -3.236 2.580 -9.542 24 1HH1 ARG 3 1HH1 ARG 3 0.086 2.587 -8.317 25 2HH1 ARG 3 2HH1 ARG 3 0.746 3.384 -9.729 26 1HH2 ARG 3 1HH2 ARG 3 -2.395 3.832 -11.284 27 2HH2 ARG 3 2HH2 ARG 3 -0.691 4.192 -11.359 28 H LYS 4 H LYS 4 -1.687 -3.815 -9.074 29 HA LYS 4 HA LYS 4 -0.878 -5.227 -6.624 30 1HB LYS 4 HB2 LYS 4 -1.798 -6.169 -8.937 31 2HB LYS 4 HB3 LYS 4 -0.107 -6.069 -9.419 32 1HG LYS 4 HG2 LYS 4 -0.613 -8.275 -8.670 33 2HG LYS 4 HG3 LYS 4 0.464 -7.552 -7.452 34 1HD LYS 4 HD2 LYS 4 -1.076 -8.168 -5.897 35 2HD LYS 4 HD3 LYS 4 -2.155 -6.969 -6.593 36 1HE LYS 4 HE2 LYS 4 -3.382 -9.011 -6.566 37 2HE LYS 4 HE3 LYS 4 -2.951 -8.683 -8.246 38 1HZ LYS 4 HZ1 LYS 4 -1.556 -10.537 -6.436 39 2HZ LYS 4 HZ2 LYS 4 -2.593 -10.934 -7.658 40 3HZ LYS 4 HZ3 LYS 4 -1.139 -10.236 -8.008 41 H GLY 5 H GLY 5 0.478 -2.581 -7.957 42 1HA GLY 5 HA2 GLY 5 2.477 -1.613 -7.330 43 2HA GLY 5 HA3 GLY 5 3.078 -3.156 -6.709 44 H TRP 6 H TRP 6 3.214 -4.872 -8.534 45 HA TRP 6 HA TRP 6 5.092 -3.974 -10.547 46 1HB TRP 6 HB2 TRP 6 5.124 -6.212 -11.304 47 2HB TRP 6 HB3 TRP 6 5.112 -6.245 -9.547 48 HD1 TRP 6 HD1 TRP 6 3.045 -7.382 -8.372 49 HE1 TRP 6 HE1 TRP 6 1.146 -8.901 -9.184 50 HE3 TRP 6 HE3 TRP 6 3.436 -6.573 -13.424 51 HZ2 TRP 6 HZ2 TRP 6 -0.211 -9.449 -11.644 52 HZ3 TRP 6 HZ3 TRP 6 1.817 -7.645 -14.968 53 HH2 TRP 6 HH2 TRP 6 -0.035 -9.021 -14.096 54 H HIS 7 H HIS 7 1.634 -4.265 -10.400 55 HA HIS 7 HA HIS 7 0.695 -4.726 -12.885 56 1HB HIS 7 HB2 HIS 7 -1.244 -3.437 -12.290 57 2HB HIS 7 HB3 HIS 7 -0.623 -4.148 -10.806 58 HD2 HIS 7 HD2 HIS 7 -1.686 -0.927 -12.324 59 HE1 HIS 7 HE1 HIS 7 0.982 0.309 -9.252 60 HE2 HIS 7 HE2 HIS 7 -0.724 1.098 -10.978 61 H GLU 8 H GLU 8 1.960 -1.534 -11.777 62 HA GLU 8 HA GLU 8 1.495 0.058 -13.866 63 1HB GLU 8 HB2 GLU 8 2.810 0.201 -11.452 64 2HB GLU 8 HB3 GLU 8 4.197 0.114 -12.532 65 1HG GLU 8 HG2 GLU 8 3.822 2.357 -12.326 66 2HG GLU 8 HG3 GLU 8 2.964 1.982 -13.841 67 H HIS 9 H HIS 9 3.991 -2.451 -13.708 68 HA HIS 9 HA HIS 9 5.567 -1.508 -15.931 69 1HB HIS 9 HB2 HIS 9 5.365 -4.306 -14.757 70 2HB HIS 9 HB3 HIS 9 6.689 -3.640 -15.709 71 HD2 HIS 9 HD2 HIS 9 6.723 -0.798 -13.873 72 HE1 HIS 9 HE1 HIS 9 8.002 -3.468 -10.818 73 HE2 HIS 9 HE2 HIS 9 7.854 -1.025 -11.525 74 H VAL 10 H VAL 10 2.604 -3.368 -15.647 75 HA VAL 10 HA VAL 10 2.840 -4.317 -18.476 76 HB VAL 10 HB VAL 10 1.453 -5.618 -16.117 77 1HG1 VAL 10 1HG1 VAL 10 1.921 -6.745 -18.908 78 2HG1 VAL 10 2HG1 VAL 10 0.951 -7.429 -17.592 79 3HG1 VAL 10 3HG1 VAL 10 0.401 -5.981 -18.432 80 1HG2 VAL 10 1HG2 VAL 10 3.811 -5.947 -15.821 81 2HG2 VAL 10 2HG2 VAL 10 3.253 -7.420 -16.640 82 3HG2 VAL 10 3HG2 VAL 10 4.088 -6.166 -17.557 83 H THR 11 H THR 11 1.901 -2.592 -19.445 84 HA THR 11 HA THR 11 -0.619 -1.448 -18.564 85 HB THR 11 HB THR 11 -0.208 -0.160 -20.754 86 HG1 THR 11 HG1 THR 11 1.915 -0.485 -21.593 87 1HG2 THR 11 1HG2 THR 11 1.641 1.146 -19.818 88 2HG2 THR 11 2HG2 THR 11 0.517 0.676 -18.531 89 3HG2 THR 11 3HG2 THR 11 2.066 -0.174 -18.710 90 H GLN 12 H GLN 12 -2.349 -1.197 -20.155 91 HA GLN 12 HA GLN 12 -3.644 -3.487 -20.928 92 1HB GLN 12 HB2 GLN 12 -3.764 -0.681 -22.077 93 2HB GLN 12 HB3 GLN 12 -4.885 -1.974 -22.512 94 1HG GLN 12 HG2 GLN 12 -5.506 -2.240 -20.096 95 2HG GLN 12 HG3 GLN 12 -4.430 -0.899 -19.687 96 1HE2 GLN 12 2HE2 GLN 12 -7.230 -1.682 -21.856 97 2HE2 GLN 12 1HE2 GLN 12 -7.964 -0.099 -21.677 98 H ASP 13 H ASP 13 -1.400 -1.577 -22.977 99 HA ASP 13 HA ASP 13 -1.733 -3.047 -25.360 100 1HB ASP 13 HB2 ASP 13 0.838 -1.739 -24.324 101 2HB ASP 13 HB3 ASP 13 0.409 -2.072 -26.002 102 H LEU 14 H LEU 14 0.546 -3.646 -22.596 103 HA LEU 14 HA LEU 14 1.751 -5.893 -23.981 104 1HB LEU 14 HB2 LEU 14 3.072 -4.741 -22.344 105 2HB LEU 14 HB3 LEU 14 1.872 -5.036 -21.078 106 HG LEU 14 HG LEU 14 2.311 -7.405 -21.115 107 1HD1 LEU 14 1HD1 LEU 14 4.327 -6.938 -23.360 108 2HD1 LEU 14 2HD1 LEU 14 4.077 -8.449 -22.475 109 3HD1 LEU 14 3HD1 LEU 14 2.810 -7.825 -23.506 110 1HD2 LEU 14 1HD2 LEU 14 4.504 -7.444 -20.177 111 2HD2 LEU 14 2HD2 LEU 14 5.040 -6.062 -21.143 112 3HD2 LEU 14 3HD2 LEU 14 3.863 -5.826 -19.851 113 H ARG 15 H ARG 15 -0.859 -5.457 -21.553 114 HA ARG 15 HA ARG 15 -1.468 -8.200 -21.124 115 1HB ARG 15 HB2 ARG 15 -3.375 -5.840 -21.312 116 2HB ARG 15 HB3 ARG 15 -3.789 -7.422 -20.657 117 1HG ARG 15 HG2 ARG 15 -2.149 -7.180 -18.852 118 2HG ARG 15 HG3 ARG 15 -1.531 -5.706 -19.579 119 1HD ARG 15 HD2 ARG 15 -4.152 -5.001 -19.303 120 2HD ARG 15 HD3 ARG 15 -3.962 -6.096 -17.924 121 HE ARG 15 HE ARG 15 -1.715 -4.471 -17.818 122 1HH1 ARG 15 1HH1 ARG 15 -5.195 -3.852 -17.742 123 2HH1 ARG 15 2HH1 ARG 15 -5.027 -2.328 -16.911 124 1HH2 ARG 15 1HH2 ARG 15 -1.482 -2.623 -16.726 125 2HH2 ARG 15 2HH2 ARG 15 -2.839 -1.609 -16.264 126 H SER 16 H SER 16 -2.684 -5.979 -23.646 127 HA SER 16 HA SER 16 -4.254 -7.766 -25.148 128 1HB SER 16 HB2 SER 16 -2.646 -5.354 -26.069 129 2HB SER 16 HB3 SER 16 -3.921 -6.120 -26.989 130 HG SER 16 HG SER 16 -4.144 -4.842 -24.460 131 H HIS 17 H HIS 17 -0.781 -6.911 -25.531 132 HA HIS 17 HA HIS 17 -0.239 -8.552 -27.744 133 1HB HIS 17 HB2 HIS 17 1.182 -6.732 -26.750 134 2HB HIS 17 HB3 HIS 17 1.628 -7.834 -25.452 135 HD2 HIS 17 HD2 HIS 17 1.635 -9.714 -28.716 136 HE1 HIS 17 HE1 HIS 17 5.567 -8.127 -28.338 137 HE2 HIS 17 HE2 HIS 17 4.083 -9.746 -29.634 138 H LEU 18 H LEU 18 0.093 -9.286 -24.228 139 HA LEU 18 HA LEU 18 0.977 -11.977 -24.577 140 1HB LEU 18 HB2 LEU 18 -0.387 -10.537 -22.281 141 2HB LEU 18 HB3 LEU 18 0.183 -12.210 -22.154 142 HG LEU 18 HG LEU 18 1.997 -9.899 -22.952 143 1HD1 LEU 18 1HD1 LEU 18 2.793 -9.902 -20.627 144 2HD1 LEU 18 2HD1 LEU 18 1.070 -9.472 -20.714 145 3HD1 LEU 18 3HD1 LEU 18 1.555 -11.107 -20.202 146 1HD2 LEU 18 1HD2 LEU 18 2.631 -12.664 -21.827 147 2HD2 LEU 18 2HD2 LEU 18 2.886 -12.171 -23.511 148 3HD2 LEU 18 3HD2 LEU 18 3.799 -11.389 -22.220 149 H VAL 19 H VAL 19 -2.332 -10.657 -24.061 150 HA VAL 19 HA VAL 19 -3.768 -13.077 -24.205 151 HB VAL 19 HB VAL 19 -4.396 -10.244 -25.051 152 1HG1 VAL 19 1HG1 VAL 19 -5.763 -11.641 -26.558 153 2HG1 VAL 19 2HG1 VAL 19 -6.325 -12.588 -25.159 154 3HG1 VAL 19 3HG1 VAL 19 -6.747 -10.873 -25.315 155 1HG2 VAL 19 1HG2 VAL 19 -5.873 -10.321 -23.104 156 2HG2 VAL 19 2HG2 VAL 19 -5.496 -12.043 -22.843 157 3HG2 VAL 19 3HG2 VAL 19 -4.248 -10.807 -22.624 158 H HIS 20 H HIS 20 -2.676 -10.959 -26.936 159 HA HIS 20 HA HIS 20 -3.629 -12.642 -28.985 160 1HB HIS 20 HB2 HIS 20 -2.699 -10.327 -29.275 161 2HB HIS 20 HB3 HIS 20 -1.080 -10.997 -29.069 162 HD2 HIS 20 HD2 HIS 20 -0.697 -9.901 -31.527 163 HE1 HIS 20 HE1 HIS 20 -2.953 -12.775 -33.698 164 HE2 HIS 20 HE2 HIS 20 -1.292 -10.864 -33.899 165 H LYS 21 H LYS 21 -0.418 -12.705 -27.305 166 HA LYS 21 HA LYS 21 0.545 -14.993 -28.685 167 1HB LYS 21 HB2 LYS 21 1.203 -14.217 -25.823 168 2HB LYS 21 HB3 LYS 21 2.071 -15.369 -26.820 169 1HG LYS 21 HG2 LYS 21 1.950 -12.368 -27.125 170 2HG LYS 21 HG3 LYS 21 3.340 -13.383 -26.820 171 1HD LYS 21 HD2 LYS 21 1.783 -13.261 -29.443 172 2HD LYS 21 HD3 LYS 21 3.350 -12.526 -29.106 173 1HE LYS 21 HE2 LYS 21 4.373 -14.737 -28.724 174 2HE LYS 21 HE3 LYS 21 2.824 -15.537 -29.035 175 1HZ LYS 21 HZ1 LYS 21 2.855 -14.624 -31.237 176 2HZ LYS 21 HZ2 LYS 21 4.315 -13.909 -30.960 177 3HZ LYS 21 HZ3 LYS 21 4.186 -15.551 -30.956 178 H LEU 22 H LEU 22 -1.550 -14.872 -25.750 179 HA LEU 22 HA LEU 22 -1.633 -17.700 -25.327 180 1HB LEU 22 HB2 LEU 22 -3.922 -15.721 -25.013 181 2HB LEU 22 HB3 LEU 22 -3.908 -17.371 -24.437 182 HG LEU 22 HG LEU 22 -2.104 -15.156 -23.406 183 1HD1 LEU 22 1HD1 LEU 22 -4.470 -14.863 -22.779 184 2HD1 LEU 22 2HD1 LEU 22 -4.553 -16.557 -22.263 185 3HD1 LEU 22 3HD1 LEU 22 -3.538 -15.404 -21.372 186 1HD2 LEU 22 1HD2 LEU 22 -1.041 -17.363 -23.217 187 2HD2 LEU 22 2HD2 LEU 22 -1.582 -16.852 -21.621 188 3HD2 LEU 22 3HD2 LEU 22 -2.516 -18.063 -22.521 189 H VAL 23 H VAL 23 -3.724 -15.598 -27.373 190 HA VAL 23 HA VAL 23 -5.283 -17.703 -28.405 191 HB VAL 23 HB VAL 23 -4.549 -15.100 -29.784 192 1HG1 VAL 23 1HG1 VAL 23 -6.768 -17.123 -30.339 193 2HG1 VAL 23 2HG1 VAL 23 -6.632 -15.520 -31.095 194 3HG1 VAL 23 3HG1 VAL 23 -5.415 -16.757 -31.419 195 1HG2 VAL 23 1HG2 VAL 23 -6.716 -14.317 -28.963 196 2HG2 VAL 23 2HG2 VAL 23 -7.032 -15.882 -28.183 197 3HG2 VAL 23 3HG2 VAL 23 -5.746 -14.824 -27.581 198 H GLN 24 H GLN 24 -2.251 -16.303 -29.810 199 HA GLN 24 HA GLN 24 -2.144 -18.145 -32.020 200 1HB GLN 24 HB2 GLN 24 0.212 -16.812 -30.578 201 2HB GLN 24 HB3 GLN 24 0.201 -17.523 -32.197 202 1HG GLN 24 HG2 GLN 24 -0.984 -14.903 -31.290 203 2HG GLN 24 HG3 GLN 24 0.052 -15.256 -32.660 204 1HE2 GLN 24 2HE2 GLN 24 -3.161 -14.585 -31.787 205 2HE2 GLN 24 1HE2 GLN 24 -3.990 -15.416 -33.112 206 H ALA 25 H ALA 25 -0.681 -18.417 -28.749 207 HA ALA 25 HA ALA 25 0.722 -20.811 -29.321 208 1HB ALA 25 HB1 ALA 25 1.177 -19.377 -27.367 209 2HB ALA 25 HB2 ALA 25 -0.382 -19.849 -26.650 210 3HB ALA 25 HB3 ALA 25 0.891 -21.066 -26.913 211 H ILE 26 H ILE 26 -2.589 -20.289 -28.028 212 HA ILE 26 HA ILE 26 -3.160 -23.118 -27.754 213 HB ILE 26 HB ILE 26 -4.971 -20.672 -27.907 214 1HG1 ILE 26 2HG1 ILE 26 -4.066 -22.208 -25.437 215 2HG1 ILE 26 3HG1 ILE 26 -3.227 -20.772 -25.995 216 1HG2 ILE 26 1HG2 ILE 26 -5.547 -23.534 -27.013 217 2HG2 ILE 26 2HG2 ILE 26 -6.650 -22.167 -26.765 218 3HG2 ILE 26 3HG2 ILE 26 -6.273 -22.690 -28.397 219 1HD1 ILE 26 1HD1 ILE 26 -5.346 -19.456 -25.856 220 2HD1 ILE 26 2HD1 ILE 26 -6.116 -20.854 -25.069 221 3HD1 ILE 26 3HD1 ILE 26 -4.734 -20.059 -24.303 222 H PHE 27 H PHE 27 -3.755 -20.638 -30.207 223 HA PHE 27 HA PHE 27 -4.655 -22.570 -32.264 224 1HB PHE 27 HB2 PHE 27 -6.537 -21.778 -30.744 225 2HB PHE 27 HB3 PHE 27 -6.260 -20.159 -31.350 226 HD1 PHE 27 HD1 PHE 27 -7.998 -23.250 -31.809 227 HD2 PHE 27 HD2 PHE 27 -6.555 -19.778 -33.940 228 HE1 PHE 27 HE1 PHE 27 -9.798 -23.506 -33.469 229 HE2 PHE 27 HE2 PHE 27 -8.330 -20.042 -35.586 230 HZ PHE 27 HZ PHE 27 -9.963 -21.929 -35.399 231 HA PRO 28 HA PRO 28 -1.806 -19.271 -33.924 232 1HB PRO 28 HB2 PRO 28 -1.691 -21.424 -35.982 233 2HB PRO 28 HB3 PRO 28 -0.363 -20.377 -35.413 234 1HG PRO 28 HG2 PRO 28 -0.539 -22.929 -34.501 235 2HG PRO 28 HG3 PRO 28 -0.231 -21.605 -33.337 236 1HD PRO 28 HD2 PRO 28 -2.867 -22.970 -33.948 237 2HD PRO 28 HD3 PRO 28 -2.155 -22.551 -32.361 238 H THR 29 H THR 29 -2.940 -17.626 -34.850 239 HA THR 29 HA THR 29 -5.489 -18.181 -36.092 240 HB THR 29 HB THR 29 -4.127 -15.562 -35.544 241 HG1 THR 29 HG1 THR 29 -4.886 -17.424 -33.829 242 1HG2 THR 29 1HG2 THR 29 -6.406 -14.665 -35.432 243 2HG2 THR 29 2HG2 THR 29 -6.098 -15.373 -37.021 244 3HG2 THR 29 3HG2 THR 29 -7.080 -16.260 -35.832 245 HA PRO 30 HA PRO 30 -3.779 -18.059 -40.296 246 1HB PRO 30 HB2 PRO 30 -6.593 -17.100 -40.854 247 2HB PRO 30 HB3 PRO 30 -5.611 -18.268 -41.781 248 1HG PRO 30 HG2 PRO 30 -7.492 -19.174 -40.049 249 2HG PRO 30 HG3 PRO 30 -5.870 -19.930 -40.069 250 1HD PRO 30 HD2 PRO 30 -6.926 -17.876 -38.098 251 2HD PRO 30 HD3 PRO 30 -5.955 -19.359 -37.826 252 H ASP 31 H ASP 31 -5.911 -15.310 -39.267 253 HA ASP 31 HA ASP 31 -3.946 -13.353 -40.190 254 1HB ASP 31 HB2 ASP 31 -5.329 -14.002 -42.223 255 2HB ASP 31 HB3 ASP 31 -6.769 -13.468 -41.361 256 HA PRO 32 HA PRO 32 -5.820 -11.272 -36.604 257 1HB PRO 32 HB2 PRO 32 -5.536 -8.896 -38.474 258 2HB PRO 32 HB3 PRO 32 -5.282 -8.948 -36.703 259 1HG PRO 32 HG2 PRO 32 -3.140 -9.136 -38.341 260 2HG PRO 32 HG3 PRO 32 -3.290 -10.287 -36.979 261 1HD PRO 32 HD2 PRO 32 -3.913 -10.750 -39.893 262 2HD PRO 32 HD3 PRO 32 -3.100 -11.828 -38.723 263 H ALA 33 H ALA 33 -7.044 -10.430 -39.908 264 HA ALA 33 HA ALA 33 -9.570 -9.451 -39.169 265 1HB ALA 33 HB1 ALA 33 -8.623 -9.322 -41.449 266 2HB ALA 33 HB2 ALA 33 -8.823 -11.080 -41.634 267 3HB ALA 33 HB3 ALA 33 -10.248 -10.036 -41.455 268 H ALA 34 H ALA 34 -8.412 -12.788 -39.258 269 HA ALA 34 HA ALA 34 -10.919 -14.123 -39.410 270 1HB ALA 34 HB1 ALA 34 -9.724 -16.076 -38.708 271 2HB ALA 34 HB2 ALA 34 -8.631 -15.147 -39.762 272 3HB ALA 34 HB3 ALA 34 -8.421 -15.115 -37.994 273 H LEU 35 H LEU 35 -9.365 -12.378 -36.756 274 HA LEU 35 HA LEU 35 -10.742 -13.605 -34.569 275 1HB LEU 35 HB2 LEU 35 -9.828 -10.732 -34.876 276 2HB LEU 35 HB3 LEU 35 -10.270 -11.540 -33.370 277 HG LEU 35 HG LEU 35 -7.861 -12.235 -35.120 278 1HD1 LEU 35 1HD1 LEU 35 -7.669 -10.128 -33.833 279 2HD1 LEU 35 2HD1 LEU 35 -8.062 -11.012 -32.341 280 3HD1 LEU 35 3HD1 LEU 35 -6.567 -11.379 -33.230 281 1HD2 LEU 35 1HD2 LEU 35 -7.214 -13.702 -33.191 282 2HD2 LEU 35 2HD2 LEU 35 -8.872 -13.537 -32.578 283 3HD2 LEU 35 3HD2 LEU 35 -8.566 -14.288 -34.162 284 H LYS 36 H LYS 36 -12.022 -11.651 -37.178 285 HA LYS 36 HA LYS 36 -14.307 -10.646 -35.790 286 1HB LYS 36 HB2 LYS 36 -13.782 -11.337 -38.693 287 2HB LYS 36 HB3 LYS 36 -15.232 -10.506 -38.155 288 1HG LYS 36 HG2 LYS 36 -12.602 -9.291 -37.311 289 2HG LYS 36 HG3 LYS 36 -13.010 -9.235 -39.021 290 1HD LYS 36 HD2 LYS 36 -13.740 -7.202 -37.900 291 2HD LYS 36 HD3 LYS 36 -15.112 -8.085 -38.581 292 1HE LYS 36 HE2 LYS 36 -15.723 -8.928 -36.353 293 2HE LYS 36 HE3 LYS 36 -14.270 -8.187 -35.642 294 1HZ LYS 36 HZ1 LYS 36 -16.489 -6.752 -36.922 295 2HZ LYS 36 HZ2 LYS 36 -16.229 -6.882 -35.300 296 3HZ LYS 36 HZ3 LYS 36 -15.155 -6.061 -36.242 297 H ASP 37 H ASP 37 -13.491 -13.910 -36.769 298 HA ASP 37 HA ASP 37 -16.190 -14.892 -37.096 299 1HB ASP 37 HB2 ASP 37 -14.369 -16.199 -37.961 300 2HB ASP 37 HB3 ASP 37 -13.546 -16.212 -36.397 301 H ARG 38 H ARG 38 -17.567 -15.869 -35.550 302 HA ARG 38 HA ARG 38 -17.429 -14.598 -33.012 303 1HB ARG 38 HB2 ARG 38 -19.490 -15.530 -34.515 304 2HB ARG 38 HB3 ARG 38 -19.306 -16.891 -33.417 305 1HG ARG 38 HG2 ARG 38 -20.845 -15.598 -32.304 306 2HG ARG 38 HG3 ARG 38 -19.364 -15.044 -31.522 307 1HD ARG 38 HD2 ARG 38 -20.851 -13.623 -33.812 308 2HD ARG 38 HD3 ARG 38 -20.968 -13.231 -32.107 309 HE ARG 38 HE ARG 38 -18.878 -12.279 -32.048 310 1HH1 ARG 38 1HH2 ARG 38 -19.462 -13.558 -35.345 311 2HH1 ARG 38 2HH2 ARG 38 -18.005 -12.781 -35.961 312 1HH2 ARG 38 1HH1 ARG 38 -17.148 -11.093 -33.066 313 2HH2 ARG 38 2HH1 ARG 38 -16.754 -11.509 -34.731 314 H ARG 39 H ARG 39 -16.702 -17.960 -33.948 315 HA ARG 39 HA ARG 39 -16.431 -18.909 -31.216 316 1HB ARG 39 HB2 ARG 39 -15.254 -19.980 -33.816 317 2HB ARG 39 HB3 ARG 39 -15.211 -20.785 -32.244 318 1HG ARG 39 HG2 ARG 39 -17.680 -20.876 -32.181 319 2HG ARG 39 HG3 ARG 39 -17.777 -19.992 -33.712 320 1HD ARG 39 HD2 ARG 39 -18.091 -22.361 -34.121 321 2HD ARG 39 HD3 ARG 39 -16.578 -21.804 -34.870 322 HE ARG 39 HE ARG 39 -16.082 -22.801 -32.224 323 1HH1 ARG 39 1HH2 ARG 39 -16.909 -23.934 -35.462 324 2HH1 ARG 39 2HH2 ARG 39 -16.154 -25.492 -35.273 325 1HH2 ARG 39 1HH1 ARG 39 -15.080 -24.831 -31.953 326 2HH2 ARG 39 2HH1 ARG 39 -15.098 -26.012 -33.234 327 H MET 40 H MET 40 -14.230 -17.635 -33.718 328 HA MET 40 HA MET 40 -11.833 -17.709 -32.221 329 1HB MET 40 HB2 MET 40 -12.278 -17.203 -34.737 330 2HB MET 40 HB3 MET 40 -12.528 -15.520 -34.221 331 1HG MET 40 HG2 MET 40 -10.219 -15.818 -34.887 332 2HG MET 40 HG3 MET 40 -10.279 -15.642 -33.122 333 1HE MET 40 HE1 MET 40 -7.755 -16.440 -33.229 334 2HE MET 40 HE2 MET 40 -8.746 -16.918 -31.818 335 3HE MET 40 HE3 MET 40 -7.600 -18.076 -32.543 336 H GLU 41 H GLU 41 -14.269 -15.081 -32.496 337 HA GLU 41 HA GLU 41 -13.186 -13.292 -30.650 338 1HB GLU 41 HB2 GLU 41 -15.083 -12.813 -32.143 339 2HB GLU 41 HB3 GLU 41 -16.119 -13.888 -31.189 340 1HG GLU 41 HG2 GLU 41 -15.822 -12.431 -29.198 341 2HG GLU 41 HG3 GLU 41 -14.796 -11.350 -30.160 342 H ASN 42 H ASN 42 -15.286 -16.118 -30.046 343 HA ASN 42 HA ASN 42 -15.450 -15.734 -27.193 344 1HB ASN 42 HB2 ASN 42 -15.877 -18.150 -28.968 345 2HB ASN 42 HB3 ASN 42 -15.763 -18.322 -27.219 346 1HD2 ASN 42 2HD2 ASN 42 -17.541 -16.400 -29.722 347 2HD2 ASN 42 1HD2 ASN 42 -19.003 -16.286 -28.749 348 H LEU 43 H LEU 43 -13.023 -17.443 -29.225 349 HA LEU 43 HA LEU 43 -11.554 -18.424 -26.964 350 1HB LEU 43 HB2 LEU 43 -11.263 -19.394 -29.178 351 2HB LEU 43 HB3 LEU 43 -10.612 -17.873 -29.801 352 HG LEU 43 HG LEU 43 -8.654 -18.043 -28.326 353 1HD1 LEU 43 1HD1 LEU 43 -9.889 -20.676 -27.393 354 2HD1 LEU 43 2HD1 LEU 43 -8.220 -20.158 -27.075 355 3HD1 LEU 43 3HD1 LEU 43 -9.561 -19.250 -26.381 356 1HD2 LEU 43 1HD2 LEU 43 -8.613 -19.118 -30.559 357 2HD2 LEU 43 2HD2 LEU 43 -7.585 -19.953 -29.376 358 3HD2 LEU 43 3HD2 LEU 43 -9.161 -20.640 -29.829 359 H VAL 44 H VAL 44 -11.295 -15.443 -28.922 360 HA VAL 44 HA VAL 44 -9.133 -14.213 -27.550 361 HB VAL 44 HB VAL 44 -11.563 -13.124 -28.977 362 1HG1 VAL 44 1HG1 VAL 44 -10.942 -11.368 -27.388 363 2HG1 VAL 44 2HG1 VAL 44 -9.223 -11.554 -27.816 364 3HG1 VAL 44 3HG1 VAL 44 -10.383 -10.912 -28.999 365 1HG2 VAL 44 1HG2 VAL 44 -9.992 -12.581 -30.730 366 2HG2 VAL 44 2HG2 VAL 44 -8.620 -13.106 -29.737 367 3HG2 VAL 44 3HG2 VAL 44 -9.797 -14.295 -30.324 368 H ALA 45 H ALA 45 -12.670 -14.109 -26.834 369 HA ALA 45 HA ALA 45 -12.503 -12.487 -24.538 370 1HB ALA 45 HB1 ALA 45 -14.506 -14.715 -25.088 371 2HB ALA 45 HB2 ALA 45 -14.695 -13.375 -23.945 372 3HB ALA 45 HB3 ALA 45 -14.614 -13.047 -25.688 373 H TYR 46 H TYR 46 -12.422 -16.085 -24.763 374 HA TYR 46 HA TYR 46 -11.961 -16.656 -22.030 375 1HB TYR 46 HB2 TYR 46 -12.390 -18.462 -23.533 376 2HB TYR 46 HB3 TYR 46 -11.056 -18.024 -24.585 377 HD1 TYR 46 HD1 TYR 46 -11.893 -19.501 -21.273 378 HD2 TYR 46 HD2 TYR 46 -8.758 -18.648 -24.111 379 HE1 TYR 46 HE1 TYR 46 -10.333 -20.962 -20.006 380 HE2 TYR 46 HE2 TYR 46 -7.188 -20.023 -22.791 381 HH TYR 46 HH TYR 46 -7.028 -21.638 -21.156 382 H ALA 47 H ALA 47 -9.545 -15.958 -24.619 383 HA ALA 47 HA ALA 47 -7.273 -16.225 -22.967 384 1HB ALA 47 HB1 ALA 47 -7.666 -14.512 -25.454 385 2HB ALA 47 HB2 ALA 47 -6.105 -14.942 -24.727 386 3HB ALA 47 HB3 ALA 47 -7.149 -16.208 -25.401 387 H LYS 48 H LYS 48 -9.180 -13.280 -23.744 388 HA LYS 48 HA LYS 48 -7.716 -11.419 -22.167 389 1HB LYS 48 HB2 LYS 48 -10.665 -11.568 -22.911 390 2HB LYS 48 HB3 LYS 48 -9.950 -10.223 -22.010 391 1HG LYS 48 HG2 LYS 48 -8.400 -9.744 -23.830 392 2HG LYS 48 HG3 LYS 48 -9.016 -11.125 -24.765 393 1HD LYS 48 HD2 LYS 48 -11.225 -10.109 -24.927 394 2HD LYS 48 HD3 LYS 48 -10.741 -8.775 -23.859 395 1HE LYS 48 HE2 LYS 48 -9.078 -8.005 -25.503 396 2HE LYS 48 HE3 LYS 48 -9.456 -9.371 -26.567 397 1HZ LYS 48 HZ1 LYS 48 -11.323 -7.242 -25.790 398 2HZ LYS 48 HZ2 LYS 48 -10.564 -7.384 -27.245 399 3HZ LYS 48 HZ3 LYS 48 -11.672 -8.511 -26.782 400 H LYS 49 H LYS 49 -10.564 -13.426 -21.283 401 HA LYS 49 HA LYS 49 -10.802 -12.599 -18.629 402 1HB LYS 49 HB2 LYS 49 -12.355 -14.030 -20.032 403 2HB LYS 49 HB3 LYS 49 -11.336 -15.413 -19.652 404 1HG LYS 49 HG2 LYS 49 -11.754 -15.095 -17.259 405 2HG LYS 49 HG3 LYS 49 -12.715 -13.635 -17.589 406 1HD LYS 49 HD2 LYS 49 -14.318 -15.000 -18.919 407 2HD LYS 49 HD3 LYS 49 -13.364 -16.455 -18.567 408 1HE LYS 49 HE2 LYS 49 -13.778 -16.118 -16.124 409 2HE LYS 49 HE3 LYS 49 -14.744 -14.676 -16.495 410 1HZ LYS 49 HZ1 LYS 49 -16.108 -16.590 -16.166 411 2HZ LYS 49 HZ2 LYS 49 -16.240 -16.076 -17.726 412 3HZ LYS 49 HZ3 LYS 49 -15.345 -17.414 -17.371 413 H VAL 50 H VAL 50 -9.057 -15.450 -19.892 414 HA VAL 50 HA VAL 50 -8.061 -16.225 -17.377 415 HB VAL 50 HB VAL 50 -8.190 -17.434 -19.802 416 1HG1 VAL 50 1HG1 VAL 50 -6.021 -18.133 -20.559 417 2HG1 VAL 50 2HG1 VAL 50 -6.148 -16.368 -20.682 418 3HG1 VAL 50 3HG1 VAL 50 -5.200 -17.113 -19.366 419 1HG2 VAL 50 1HG2 VAL 50 -6.431 -18.278 -17.483 420 2HG2 VAL 50 2HG2 VAL 50 -8.195 -18.506 -17.609 421 3HG2 VAL 50 3HG2 VAL 50 -7.116 -19.329 -18.745 422 H GLU 51 H GLU 51 -6.450 -14.178 -19.918 423 HA GLU 51 HA GLU 51 -4.080 -13.747 -18.461 424 1HB GLU 51 HB2 GLU 51 -4.360 -13.146 -20.781 425 2HB GLU 51 HB3 GLU 51 -5.576 -11.933 -20.376 426 1HG GLU 51 HG2 GLU 51 -2.775 -11.828 -19.174 427 2HG GLU 51 HG3 GLU 51 -3.054 -11.224 -20.801 428 H GLY 52 H GLY 52 -7.214 -11.996 -18.306 429 1HA GLY 52 HA2 GLY 52 -6.577 -10.088 -16.338 430 2HA GLY 52 HA3 GLY 52 -8.169 -10.846 -16.563 431 H ASP 53 H ASP 53 -7.841 -13.430 -15.894 432 HA ASP 53 HA ASP 53 -7.851 -13.499 -13.087 433 1HB ASP 53 HB2 ASP 53 -8.858 -15.239 -14.535 434 2HB ASP 53 HB3 ASP 53 -7.237 -15.813 -14.958 435 H MET 54 H MET 54 -5.180 -14.400 -15.340 436 HA MET 54 HA MET 54 -3.309 -15.016 -13.270 437 1HB MET 54 HB2 MET 54 -2.758 -13.970 -16.078 438 2HB MET 54 HB3 MET 54 -1.569 -14.639 -14.968 439 1HG MET 54 HG2 MET 54 -3.835 -16.070 -16.357 440 2HG MET 54 HG3 MET 54 -2.113 -16.414 -16.390 441 1HE MET 54 HE1 MET 54 -4.292 -18.606 -16.182 442 2HE MET 54 HE2 MET 54 -2.515 -18.774 -16.269 443 3HE MET 54 HE3 MET 54 -3.444 -19.680 -15.032 444 H TYR 55 H TYR 55 -3.994 -11.911 -14.924 445 HA TYR 55 HA TYR 55 -1.973 -10.389 -13.692 446 1HB TYR 55 HB2 TYR 55 -3.664 -9.815 -15.587 447 2HB TYR 55 HB3 TYR 55 -4.732 -9.287 -14.299 448 HD1 TYR 55 HD1 TYR 55 -1.958 -8.431 -16.431 449 HD2 TYR 55 HD2 TYR 55 -3.899 -7.421 -12.724 450 HE1 TYR 55 HE1 TYR 55 -0.925 -6.197 -16.506 451 HE2 TYR 55 HE2 TYR 55 -2.822 -5.179 -12.784 452 HH TYR 55 HH TYR 55 -0.650 -4.147 -15.458 453 H GLU 56 H GLU 56 -5.314 -11.064 -12.596 454 HA GLU 56 HA GLU 56 -5.135 -9.621 -10.128 455 1HB GLU 56 HB2 GLU 56 -6.876 -11.930 -11.059 456 2HB GLU 56 HB3 GLU 56 -7.140 -11.061 -9.552 457 1HG GLU 56 HG2 GLU 56 -7.083 -9.659 -12.256 458 2HG GLU 56 HG3 GLU 56 -8.548 -10.333 -11.558 459 H SER 57 H SER 57 -4.464 -13.037 -10.957 460 HA SER 57 HA SER 57 -4.111 -13.875 -8.232 461 1HB SER 57 HB2 SER 57 -4.711 -15.383 -10.104 462 2HB SER 57 HB3 SER 57 -3.118 -15.122 -10.831 463 HG SER 57 HG SER 57 -3.588 -16.235 -8.253 464 H ALA 58 H ALA 58 -1.798 -12.931 -10.771 465 HA ALA 58 HA ALA 58 0.529 -13.863 -9.564 466 1HB ALA 58 HB1 ALA 58 0.066 -11.692 -11.609 467 2HB ALA 58 HB2 ALA 58 1.657 -12.374 -11.202 468 3HB ALA 58 HB3 ALA 58 0.383 -13.415 -11.886 469 H ASN 59 H ASN 59 1.330 -13.298 -7.667 470 HA ASN 59 HA ASN 59 1.151 -10.778 -6.375 471 1HB ASN 59 HB2 ASN 59 3.010 -11.622 -4.959 472 2HB ASN 59 HB3 ASN 59 1.693 -12.784 -5.139 473 1HD2 ASN 59 2HD2 ASN 59 2.251 -14.873 -5.787 474 2HD2 ASN 59 1HD2 ASN 59 3.783 -15.288 -6.544 475 H SER 60 H SER 60 3.408 -11.860 -8.891 476 HA SER 60 HA SER 60 4.768 -9.216 -8.855 477 1HB SER 60 HB2 SER 60 6.202 -11.906 -8.932 478 2HB SER 60 HB3 SER 60 6.946 -10.300 -9.052 479 HG SER 60 HG SER 60 5.612 -11.466 -6.845 480 H ARG 61 H ARG 61 5.745 -8.702 -10.934 481 HA ARG 61 HA ARG 61 4.355 -9.497 -13.229 482 1HB ARG 61 HB2 ARG 61 5.830 -7.471 -13.001 483 2HB ARG 61 HB3 ARG 61 7.251 -8.525 -13.123 484 1HG ARG 61 HG2 ARG 61 6.333 -9.337 -15.355 485 2HG ARG 61 HG3 ARG 61 5.018 -8.170 -15.164 486 1HD ARG 61 HD2 ARG 61 6.578 -7.087 -16.517 487 2HD ARG 61 HD3 ARG 61 6.851 -6.381 -14.935 488 HE ARG 61 HE ARG 61 8.983 -7.266 -14.913 489 1HH1 ARG 61 1HH2 ARG 61 7.085 -8.972 -17.338 490 2HH1 ARG 61 2HH2 ARG 61 8.452 -9.733 -18.107 491 1HH2 ARG 61 1HH1 ARG 61 10.821 -8.213 -15.957 492 2HH2 ARG 61 2HH1 ARG 61 10.607 -9.149 -17.413 493 H ASP 62 H ASP 62 7.596 -10.535 -12.172 494 HA ASP 62 HA ASP 62 8.192 -12.585 -13.880 495 1HB ASP 62 HB2 ASP 62 8.525 -12.719 -10.862 496 2HB ASP 62 HB3 ASP 62 9.447 -13.628 -12.066 497 H GLU 63 H GLU 63 5.948 -12.814 -11.095 498 HA GLU 63 HA GLU 63 5.389 -15.612 -11.375 499 1HB GLU 63 HB2 GLU 63 4.929 -14.119 -9.315 500 2HB GLU 63 HB3 GLU 63 3.511 -13.534 -10.201 501 1HG GLU 63 HG2 GLU 63 2.659 -15.215 -8.845 502 2HG GLU 63 HG3 GLU 63 2.798 -15.996 -10.417 503 H TYR 64 H TYR 64 3.698 -12.631 -12.425 504 HA TYR 64 HA TYR 64 1.528 -13.736 -13.808 505 1HB TYR 64 HB2 TYR 64 1.620 -11.404 -13.338 506 2HB TYR 64 HB3 TYR 64 3.122 -11.200 -14.185 507 HD1 TYR 64 HD1 TYR 64 3.187 -10.481 -16.389 508 HD2 TYR 64 HD2 TYR 64 -0.465 -12.085 -14.756 509 HE1 TYR 64 HE1 TYR 64 1.924 -9.516 -18.273 510 HE2 TYR 64 HE2 TYR 64 -1.740 -11.101 -16.639 511 HH TYR 64 HH TYR 64 -1.632 -9.666 -18.452 512 H TYR 65 H TYR 65 4.796 -13.014 -15.117 513 HA TYR 65 HA TYR 65 4.229 -14.132 -17.708 514 1HB TYR 65 HB2 TYR 65 6.679 -13.310 -16.197 515 2HB TYR 65 HB3 TYR 65 6.903 -14.518 -17.453 516 HD1 TYR 65 HD1 TYR 65 6.558 -14.077 -19.764 517 HD2 TYR 65 HD2 TYR 65 5.580 -11.071 -16.866 518 HE1 TYR 65 HE1 TYR 65 6.470 -12.379 -21.576 519 HE2 TYR 65 HE2 TYR 65 5.328 -9.397 -18.682 520 HH TYR 65 HH TYR 65 5.561 -8.992 -20.956 521 H HIS 66 H HIS 66 5.791 -15.602 -14.806 522 HA HIS 66 HA HIS 66 6.272 -18.122 -15.901 523 1HB HIS 66 HB2 HIS 66 7.188 -17.530 -13.770 524 2HB HIS 66 HB3 HIS 66 5.581 -17.351 -13.056 525 HD2 HIS 66 HD2 HIS 66 4.651 -19.418 -11.817 526 HE1 HIS 66 HE1 HIS 66 6.878 -22.487 -13.754 527 HE2 HIS 66 HE2 HIS 66 5.152 -21.990 -11.946 528 H LEU 67 H LEU 67 3.317 -17.264 -13.939 529 HA LEU 67 HA LEU 67 2.240 -19.839 -14.581 530 1HB LEU 67 HB2 LEU 67 0.107 -19.118 -13.578 531 2HB LEU 67 HB3 LEU 67 1.534 -19.240 -12.558 532 HG LEU 67 HG LEU 67 1.728 -16.886 -12.324 533 1HD1 LEU 67 1HD1 LEU 67 -0.445 -16.737 -14.443 534 2HD1 LEU 67 2HD1 LEU 67 -0.023 -15.370 -13.386 535 3HD1 LEU 67 3HD1 LEU 67 1.183 -16.058 -14.485 536 1HD2 LEU 67 1HD2 LEU 67 0.060 -18.019 -10.894 537 2HD2 LEU 67 2HD2 LEU 67 -0.371 -16.329 -11.221 538 3HD2 LEU 67 3HD2 LEU 67 -1.206 -17.636 -12.085 539 H LEU 68 H LEU 68 1.997 -16.786 -16.358 540 HA LEU 68 HA LEU 68 -0.154 -17.771 -18.026 541 1HB LEU 68 HB2 LEU 68 1.982 -15.647 -18.400 542 2HB LEU 68 HB3 LEU 68 0.976 -16.144 -19.759 543 HG LEU 68 HG LEU 68 -0.228 -15.194 -17.141 544 1HD1 LEU 68 1HD1 LEU 68 1.068 -13.337 -18.074 545 2HD1 LEU 68 2HD1 LEU 68 0.373 -13.623 -19.687 546 3HD1 LEU 68 3HD1 LEU 68 -0.668 -13.068 -18.366 547 1HD2 LEU 68 1HD2 LEU 68 -1.377 -15.292 -19.974 548 2HD2 LEU 68 2HD2 LEU 68 -1.728 -16.538 -18.764 549 3HD2 LEU 68 3HD2 LEU 68 -2.232 -14.876 -18.485 550 H ALA 69 H ALA 69 3.437 -17.845 -18.392 551 HA ALA 69 HA ALA 69 3.460 -19.346 -20.816 552 1HB ALA 69 HB1 ALA 69 5.448 -18.226 -19.871 553 2HB ALA 69 HB2 ALA 69 5.465 -19.371 -18.512 554 3HB ALA 69 HB3 ALA 69 5.758 -19.949 -20.167 555 H GLU 70 H GLU 70 3.474 -20.469 -17.390 556 HA GLU 70 HA GLU 70 3.475 -23.224 -17.968 557 1HB GLU 70 HB2 GLU 70 3.926 -22.147 -15.747 558 2HB GLU 70 HB3 GLU 70 2.192 -21.793 -15.611 559 1HG GLU 70 HG2 GLU 70 2.780 -23.759 -14.324 560 2HG GLU 70 HG3 GLU 70 1.674 -24.208 -15.627 561 H LYS 71 H LYS 71 0.692 -20.932 -17.579 562 HA LYS 71 HA LYS 71 -1.357 -22.839 -17.861 563 1HB LYS 71 HB2 LYS 71 -1.715 -20.610 -17.099 564 2HB LYS 71 HB3 LYS 71 -1.234 -19.911 -18.647 565 1HG LYS 71 HG2 LYS 71 -3.634 -19.829 -18.337 566 2HG LYS 71 HG3 LYS 71 -3.219 -20.841 -19.723 567 1HD LYS 71 HD2 LYS 71 -3.723 -22.841 -18.565 568 2HD LYS 71 HD3 LYS 71 -3.693 -22.040 -16.975 569 1HE LYS 71 HE2 LYS 71 -5.742 -20.855 -17.432 570 2HE LYS 71 HE3 LYS 71 -5.739 -21.378 -19.124 571 1HZ LYS 71 HZ1 LYS 71 -6.062 -23.119 -16.787 572 2HZ LYS 71 HZ2 LYS 71 -7.243 -22.661 -17.843 573 3HZ LYS 71 HZ3 LYS 71 -6.012 -23.628 -18.355 574 H ILE 72 H ILE 72 0.300 -20.884 -20.414 575 HA ILE 72 HA ILE 72 -0.963 -22.059 -22.669 576 HB ILE 72 HB ILE 72 1.865 -21.025 -22.269 577 1HG1 ILE 72 2HG1 ILE 72 -0.511 -19.831 -23.734 578 2HG1 ILE 72 3HG1 ILE 72 0.041 -19.377 -22.104 579 1HG2 ILE 72 1HG2 ILE 72 2.046 -22.625 -24.023 580 2HG2 ILE 72 2HG2 ILE 72 0.562 -22.060 -24.815 581 3HG2 ILE 72 3HG2 ILE 72 2.040 -21.049 -24.769 582 1HD1 ILE 72 1HD1 ILE 72 1.054 -17.762 -23.475 583 2HD1 ILE 72 2HD1 ILE 72 2.335 -18.936 -23.165 584 3HD1 ILE 72 3HD1 ILE 72 1.485 -18.923 -24.731 585 H TYR 73 H TYR 73 2.016 -23.076 -20.978 586 HA TYR 73 HA TYR 73 2.718 -25.308 -22.446 587 1HB TYR 73 HB2 TYR 73 3.825 -24.084 -20.491 588 2HB TYR 73 HB3 TYR 73 2.939 -25.167 -19.441 589 HD1 TYR 73 HD1 TYR 73 3.245 -27.817 -20.825 590 HD2 TYR 73 HD2 TYR 73 6.061 -24.591 -20.237 591 HE1 TYR 73 HE1 TYR 73 5.026 -29.445 -20.388 592 HE2 TYR 73 HE2 TYR 73 7.783 -26.212 -19.631 593 HH TYR 73 HH TYR 73 8.248 -28.439 -19.172 594 H LYS 74 H LYS 74 0.646 -25.274 -19.523 595 HA LYS 74 HA LYS 74 -0.105 -28.014 -19.628 596 1HB LYS 74 HB2 LYS 74 -1.540 -25.597 -18.435 597 2HB LYS 74 HB3 LYS 74 -2.069 -27.278 -18.261 598 1HG LYS 74 HG2 LYS 74 0.182 -27.852 -17.260 599 2HG LYS 74 HG3 LYS 74 0.605 -26.142 -17.334 600 1HD LYS 74 HD2 LYS 74 -0.125 -26.574 -15.111 601 2HD LYS 74 HD3 LYS 74 -1.414 -25.640 -15.887 602 1HE LYS 74 HE2 LYS 74 -2.718 -27.756 -16.238 603 2HE LYS 74 HE3 LYS 74 -1.381 -28.689 -15.553 604 1HZ LYS 74 HZ1 LYS 74 -1.714 -27.529 -13.492 605 2HZ LYS 74 HZ2 LYS 74 -2.954 -26.654 -14.137 606 3HZ LYS 74 HZ3 LYS 74 -3.098 -28.286 -13.966 607 H ILE 75 H ILE 75 -1.842 -25.111 -21.009 608 HA ILE 75 HA ILE 75 -4.024 -26.599 -22.005 609 HB ILE 75 HB ILE 75 -2.716 -24.140 -23.247 610 1HG1 ILE 75 2HG1 ILE 75 -5.273 -24.411 -21.580 611 2HG1 ILE 75 3HG1 ILE 75 -3.727 -24.019 -20.849 612 1HG2 ILE 75 1HG2 ILE 75 -4.075 -25.340 -24.955 613 2HG2 ILE 75 2HG2 ILE 75 -5.382 -25.562 -23.787 614 3HG2 ILE 75 3HG2 ILE 75 -5.003 -23.954 -24.394 615 1HD1 ILE 75 1HD1 ILE 75 -5.177 -22.316 -22.909 616 2HD1 ILE 75 2HD1 ILE 75 -4.885 -21.958 -21.204 617 3HD1 ILE 75 3HD1 ILE 75 -3.521 -22.015 -22.330 618 H GLN 76 H GLN 76 -0.927 -25.779 -23.678 619 HA GLN 76 HA GLN 76 -1.486 -27.221 -26.037 620 1HB GLN 76 HB2 GLN 76 0.986 -26.306 -24.624 621 2HB GLN 76 HB3 GLN 76 1.214 -27.534 -25.861 622 1HG GLN 76 HG2 GLN 76 -0.190 -24.861 -26.336 623 2HG GLN 76 HG3 GLN 76 1.468 -25.263 -26.785 624 1HE2 GLN 76 2HE2 GLN 76 -0.491 -24.475 -28.777 625 2HE2 GLN 76 1HE2 GLN 76 -0.632 -25.864 -29.832 626 H LYS 77 H LYS 77 0.252 -28.418 -23.093 627 HA LYS 77 HA LYS 77 0.569 -31.087 -23.986 628 1HB LYS 77 HB2 LYS 77 0.189 -29.878 -21.237 629 2HB LYS 77 HB3 LYS 77 0.567 -31.576 -21.456 630 1HG LYS 77 HG2 LYS 77 2.316 -29.292 -22.441 631 2HG LYS 77 HG3 LYS 77 2.532 -30.211 -20.949 632 1HD LYS 77 HD2 LYS 77 3.911 -31.517 -22.159 633 2HD LYS 77 HD3 LYS 77 2.430 -32.268 -22.748 634 1HE LYS 77 HE2 LYS 77 2.513 -30.552 -24.698 635 2HE LYS 77 HE3 LYS 77 4.090 -30.070 -24.079 636 1HZ LYS 77 HZ1 LYS 77 4.854 -32.285 -24.440 637 2HZ LYS 77 HZ2 LYS 77 3.358 -32.798 -24.898 638 3HZ LYS 77 HZ3 LYS 77 4.178 -31.718 -25.835 639 H GLU 78 H GLU 78 -2.102 -29.843 -22.011 640 HA GLU 78 HA GLU 78 -3.664 -32.172 -21.912 641 1HB GLU 78 HB2 GLU 78 -4.314 -29.206 -21.840 642 2HB GLU 78 HB3 GLU 78 -5.587 -30.390 -21.681 643 1HG GLU 78 HG2 GLU 78 -3.189 -30.166 -19.816 644 2HG GLU 78 HG3 GLU 78 -4.829 -29.612 -19.490 645 H LEU 79 H LEU 79 -3.943 -29.488 -24.252 646 HA LEU 79 HA LEU 79 -6.059 -30.662 -25.775 647 1HB LEU 79 HB2 LEU 79 -4.153 -28.359 -26.138 648 2HB LEU 79 HB3 LEU 79 -5.073 -28.883 -27.508 649 HG LEU 79 HG LEU 79 -6.061 -27.001 -26.183 650 1HD1 LEU 79 1HD1 LEU 79 -8.356 -27.754 -26.531 651 2HD1 LEU 79 2HD1 LEU 79 -7.321 -28.279 -27.868 652 3HD1 LEU 79 3HD1 LEU 79 -7.827 -29.442 -26.625 653 1HD2 LEU 79 1HD2 LEU 79 -7.416 -27.466 -24.233 654 2HD2 LEU 79 2HD2 LEU 79 -6.973 -29.179 -24.245 655 3HD2 LEU 79 3HD2 LEU 79 -5.751 -27.944 -23.879 656 H GLU 80 H GLU 80 -2.590 -30.292 -26.545 657 HA GLU 80 HA GLU 80 -2.479 -31.663 -28.958 658 1HB GLU 80 HB2 GLU 80 -0.658 -30.308 -28.014 659 2HB GLU 80 HB3 GLU 80 -0.388 -31.527 -26.753 660 1HG GLU 80 HG2 GLU 80 0.310 -33.175 -28.418 661 2HG GLU 80 HG3 GLU 80 -0.068 -32.041 -29.728 662 H GLU 81 H GLU 81 -1.747 -33.026 -25.686 663 HA GLU 81 HA GLU 81 -1.246 -35.601 -26.860 664 1HB GLU 81 HB2 GLU 81 -1.445 -34.779 -23.955 665 2HB GLU 81 HB3 GLU 81 -0.804 -36.314 -24.567 666 1HG GLU 81 HG2 GLU 81 0.906 -35.086 -25.900 667 2HG GLU 81 HG3 GLU 81 0.326 -33.545 -25.259 668 H LYS 82 H LYS 82 -4.092 -34.280 -25.084 669 HA LYS 82 HA LYS 82 -5.298 -37.012 -25.191 670 1HB LYS 82 HB2 LYS 82 -6.065 -34.540 -23.657 671 2HB LYS 82 HB3 LYS 82 -6.945 -36.068 -23.623 672 1HG LYS 82 HG2 LYS 82 -5.175 -37.223 -22.554 673 2HG LYS 82 HG3 LYS 82 -3.976 -36.001 -22.981 674 1HD LYS 82 HD2 LYS 82 -4.486 -35.867 -20.614 675 2HD LYS 82 HD3 LYS 82 -4.938 -34.381 -21.454 676 1HE LYS 82 HE2 LYS 82 -7.330 -35.113 -21.452 677 2HE LYS 82 HE3 LYS 82 -6.861 -36.616 -20.638 678 1HZ LYS 82 HZ1 LYS 82 -7.673 -34.955 -19.124 679 2HZ LYS 82 HZ2 LYS 82 -6.098 -35.314 -18.799 680 3HZ LYS 82 HZ3 LYS 82 -6.479 -33.904 -19.562 681 H ARG 83 H ARG 83 -6.117 -33.616 -26.218 682 HA ARG 83 HA ARG 83 -8.712 -34.630 -27.200 683 1HB ARG 83 HB2 ARG 83 -7.504 -31.847 -27.161 684 2HB ARG 83 HB3 ARG 83 -9.029 -32.253 -27.936 685 1HG ARG 83 HG2 ARG 83 -9.460 -31.324 -25.762 686 2HG ARG 83 HG3 ARG 83 -10.008 -33.007 -25.822 687 1HD ARG 83 HD2 ARG 83 -8.153 -33.751 -24.495 688 2HD ARG 83 HD3 ARG 83 -7.304 -32.200 -24.720 689 HE ARG 83 HE ARG 83 -9.856 -31.896 -23.398 690 1HH1 ARG 83 1HH1 ARG 83 -6.422 -32.712 -22.932 691 2HH1 ARG 83 2HH1 ARG 83 -6.485 -32.454 -21.202 692 1HH2 ARG 83 1HH2 ARG 83 -9.851 -31.440 -21.135 693 2HH2 ARG 83 2HH2 ARG 83 -8.395 -31.657 -20.198 694 H ARG 84 H ARG 84 -5.811 -33.072 -28.614 695 HA ARG 84 HA ARG 84 -6.891 -33.267 -31.304 696 1HB ARG 84 HB2 ARG 84 -4.182 -32.365 -30.262 697 2HB ARG 84 HB3 ARG 84 -4.766 -32.161 -31.919 698 1HG ARG 84 HG2 ARG 84 -6.579 -30.735 -31.148 699 2HG ARG 84 HG3 ARG 84 -6.146 -30.980 -29.451 700 1HD ARG 84 HD2 ARG 84 -3.998 -29.893 -29.758 701 2HD ARG 84 HD3 ARG 84 -4.303 -29.691 -31.499 702 HE ARG 84 HE ARG 84 -6.465 -28.472 -30.319 703 1HH1 ARG 84 1HH1 ARG 84 -2.955 -28.029 -30.036 704 2HH1 ARG 84 2HH1 ARG 84 -3.079 -26.304 -29.777 705 1HH2 ARG 84 1HH2 ARG 84 -6.586 -26.204 -30.015 706 2HH2 ARG 84 2HH2 ARG 84 -5.125 -25.253 -29.875 707 H SER 85 H SER 85 -3.931 -34.499 -29.780 708 HA SER 85 HA SER 85 -2.284 -35.721 -30.758 709 1HB SER 85 HB2 SER 85 -3.233 -36.915 -28.915 710 2HB SER 85 HB3 SER 85 -4.431 -37.704 -29.943 711 HG SER 85 HG SER 85 -2.476 -38.942 -29.449 712 H ARG 86 H ARG 86 -4.630 -38.057 -32.020 713 HA ARG 86 HA ARG 86 -3.116 -38.407 -34.355 714 1HB ARG 86 HB2 ARG 86 -5.882 -39.216 -34.833 715 2HB ARG 86 HB3 ARG 86 -4.400 -40.155 -34.753 716 1HG ARG 86 HG2 ARG 86 -5.798 -41.054 -33.081 717 2HG ARG 86 HG3 ARG 86 -4.619 -40.084 -32.204 718 1HD ARG 86 HD2 ARG 86 -6.598 -38.213 -32.683 719 2HD ARG 86 HD3 ARG 86 -7.574 -39.672 -32.668 720 HE ARG 86 HE ARG 86 -6.256 -40.111 -30.421 721 1HH1 ARG 86 1HH1 ARG 86 -7.602 -37.011 -31.543 722 2HH1 ARG 86 2HH1 ARG 86 -7.951 -36.431 -29.957 723 1HH2 ARG 86 1HH2 ARG 86 -6.601 -39.296 -28.327 724 2HH2 ARG 86 2HH2 ARG 86 -7.237 -37.694 -28.078 725 H LEU 87 H LEU 87 -5.708 -36.126 -33.747 726 HA LEU 87 HA LEU 87 -5.176 -34.752 -36.232 727 1HB LEU 87 HB2 LEU 87 -6.773 -36.425 -37.060 728 2HB LEU 87 HB3 LEU 87 -7.901 -36.038 -35.759 729 HG LEU 87 HG LEU 87 -8.224 -33.759 -36.706 730 1HD1 LEU 87 1HD1 LEU 87 -6.358 -34.743 -38.914 731 2HD1 LEU 87 2HD1 LEU 87 -7.365 -33.283 -39.003 732 3HD1 LEU 87 3HD1 LEU 87 -6.063 -33.377 -37.813 733 1HD2 LEU 87 1HD2 LEU 87 -9.693 -35.628 -37.371 734 2HD2 LEU 87 2HD2 LEU 87 -9.488 -34.457 -38.685 735 3HD2 LEU 87 3HD2 LEU 87 -8.611 -36.002 -38.729 736 1H LYS 88 H1 LYS 88 10.394 -34.297 -27.014 737 2H LYS 88 H2 LYS 88 9.251 -34.435 -28.187 738 3H LYS 88 H3 LYS 88 10.399 -33.264 -28.302 739 HA LYS 88 HA LYS 88 8.253 -32.395 -27.651 740 1HB LYS 88 HB2 LYS 88 8.728 -34.082 -25.160 741 2HB LYS 88 HB3 LYS 88 7.464 -32.856 -25.365 742 1HG LYS 88 HG2 LYS 88 6.536 -34.135 -27.292 743 2HG LYS 88 HG3 LYS 88 7.734 -35.415 -26.999 744 1HD LYS 88 HD2 LYS 88 6.834 -35.752 -24.717 745 2HD LYS 88 HD3 LYS 88 5.648 -34.460 -24.981 746 1HE LYS 88 HE2 LYS 88 4.668 -35.748 -26.877 747 2HE LYS 88 HE3 LYS 88 5.833 -37.054 -26.582 748 1HZ LYS 88 HZ1 LYS 88 3.795 -36.098 -24.693 749 2HZ LYS 88 HZ2 LYS 88 3.737 -37.495 -25.564 750 3HZ LYS 88 HZ3 LYS 88 4.884 -37.303 -24.396 751 H GLU 89 H GLU 89 11.227 -32.944 -25.761 752 HA GLU 89 HA GLU 89 11.183 -30.817 -24.039 753 1HB GLU 89 HB2 GLU 89 13.598 -31.876 -25.576 754 2HB GLU 89 HB3 GLU 89 13.663 -30.856 -24.128 755 1HG GLU 89 HG2 GLU 89 12.397 -32.577 -22.855 756 2HG GLU 89 HG3 GLU 89 12.402 -33.635 -24.275 757 H LYS 90 H LYS 90 12.308 -30.675 -27.405 758 HA LYS 90 HA LYS 90 12.959 -27.905 -27.435 759 1HB LYS 90 HB2 LYS 90 11.983 -29.752 -29.651 760 2HB LYS 90 HB3 LYS 90 12.532 -28.110 -29.945 761 1HG LYS 90 HG2 LYS 90 14.203 -30.378 -28.782 762 2HG LYS 90 HG3 LYS 90 14.279 -29.755 -30.426 763 1HD LYS 90 HD2 LYS 90 15.146 -28.284 -27.887 764 2HD LYS 90 HD3 LYS 90 16.147 -28.963 -29.157 765 1HE LYS 90 HE2 LYS 90 16.192 -26.735 -29.721 766 2HE LYS 90 HE3 LYS 90 14.907 -27.326 -30.781 767 1HZ LYS 90 HZ1 LYS 90 14.569 -25.957 -28.193 768 2HZ LYS 90 HZ2 LYS 90 14.340 -25.281 -29.674 769 3HZ LYS 90 HZ3 LYS 90 13.334 -26.471 -29.151 770 H ARG 91 H ARG 91 9.842 -29.554 -27.948 771 HA ARG 91 HA ARG 91 8.576 -27.109 -28.862 772 1HB ARG 91 HB2 ARG 91 6.753 -28.241 -29.351 773 2HB ARG 91 HB3 ARG 91 7.853 -29.591 -29.297 774 1HG ARG 91 HG2 ARG 91 5.823 -30.242 -28.329 775 2HG ARG 91 HG3 ARG 91 6.979 -30.187 -27.015 776 1HD ARG 91 HD2 ARG 91 4.605 -29.349 -26.574 777 2HD ARG 91 HD3 ARG 91 5.858 -28.282 -26.024 778 HE ARG 91 HE ARG 91 5.525 -26.814 -27.849 779 1HH1 ARG 91 1HH1 ARG 91 2.971 -29.352 -27.728 780 2HH1 ARG 91 2HH1 ARG 91 1.774 -28.276 -28.387 781 1HH2 ARG 91 1HH2 ARG 91 4.009 -25.617 -28.997 782 2HH2 ARG 91 2HH2 ARG 91 2.422 -26.260 -29.331 783 H ILE 92 H ILE 92 8.797 -28.867 -25.779 784 HA ILE 92 HA ILE 92 7.275 -27.111 -24.158 785 HB ILE 92 HB ILE 92 9.544 -29.043 -23.689 786 1HG1 ILE 92 2HG1 ILE 92 7.904 -29.827 -21.911 787 2HG1 ILE 92 3HG1 ILE 92 6.752 -28.639 -22.545 788 1HG2 ILE 92 1HG2 ILE 92 10.355 -27.290 -22.263 789 2HG2 ILE 92 2HG2 ILE 92 8.726 -26.952 -21.661 790 3HG2 ILE 92 3HG2 ILE 92 9.556 -28.469 -21.247 791 1HD1 ILE 92 1HD1 ILE 92 8.000 -30.949 -24.073 792 2HD1 ILE 92 2HD1 ILE 92 6.370 -30.923 -23.380 793 3HD1 ILE 92 3HD1 ILE 92 6.769 -29.823 -24.708 794 H LYS 93 H LYS 93 10.815 -26.948 -24.898 795 HA LYS 93 HA LYS 93 11.064 -24.548 -23.403 796 1HB LYS 93 HB2 LYS 93 12.846 -25.790 -25.516 797 2HB LYS 93 HB3 LYS 93 13.322 -24.350 -24.608 798 1HG LYS 93 HG2 LYS 93 12.417 -26.810 -23.094 799 2HG LYS 93 HG3 LYS 93 14.018 -26.777 -23.818 800 1HD LYS 93 HD2 LYS 93 14.158 -26.121 -21.501 801 2HD LYS 93 HD3 LYS 93 14.646 -24.782 -22.546 802 1HE LYS 93 HE2 LYS 93 12.561 -23.604 -22.128 803 2HE LYS 93 HE3 LYS 93 11.865 -25.021 -21.294 804 1HZ LYS 93 HZ1 LYS 93 12.620 -23.357 -19.801 805 2HZ LYS 93 HZ2 LYS 93 13.502 -24.737 -19.602 806 3HZ LYS 93 HZ3 LYS 93 14.161 -23.442 -20.385 807 H GLU 94 H GLU 94 10.696 -25.002 -26.934 808 HA GLU 94 HA GLU 94 10.859 -22.250 -27.642 809 1HB GLU 94 HB2 GLU 94 9.271 -24.551 -28.855 810 2HB GLU 94 HB3 GLU 94 9.449 -22.968 -29.617 811 1HG GLU 94 HG2 GLU 94 11.815 -24.747 -28.859 812 2HG GLU 94 HG3 GLU 94 11.052 -24.755 -30.446 813 H LEU 95 H LEU 95 8.025 -24.263 -26.732 814 HA LEU 95 HA LEU 95 6.040 -22.297 -26.985 815 1HB LEU 95 HB2 LEU 95 5.680 -24.721 -26.734 816 2HB LEU 95 HB3 LEU 95 6.268 -24.655 -25.063 817 HG LEU 95 HG LEU 95 4.314 -23.239 -24.455 818 1HD1 LEU 95 1HD1 LEU 95 2.394 -23.236 -26.168 819 2HD1 LEU 95 2HD1 LEU 95 3.739 -22.162 -26.583 820 3HD1 LEU 95 3HD1 LEU 95 3.568 -23.737 -27.390 821 1HD2 LEU 95 1HD2 LEU 95 2.717 -25.056 -24.621 822 2HD2 LEU 95 2HD2 LEU 95 3.686 -25.868 -25.867 823 3HD2 LEU 95 3HD2 LEU 95 4.323 -25.703 -24.221 824 H GLU 96 H GLU 96 7.927 -23.259 -24.075 825 HA GLU 96 HA GLU 96 6.814 -21.382 -22.270 826 1HB GLU 96 HB2 GLU 96 8.118 -23.365 -21.676 827 2HB GLU 96 HB3 GLU 96 9.576 -22.673 -22.387 828 1HG GLU 96 HG2 GLU 96 9.540 -20.856 -20.705 829 2HG GLU 96 HG3 GLU 96 8.055 -21.534 -20.004 830 H LEU 97 H LEU 97 9.816 -21.206 -24.205 831 HA LEU 97 HA LEU 97 10.678 -18.668 -23.432 832 1HB LEU 97 HB2 LEU 97 12.092 -20.298 -24.559 833 2HB LEU 97 HB3 LEU 97 11.092 -20.215 -26.016 834 HG LEU 97 HG LEU 97 11.790 -17.887 -26.413 835 1HD1 LEU 97 1HD1 LEU 97 13.541 -18.266 -23.936 836 2HD1 LEU 97 2HD1 LEU 97 13.663 -16.919 -25.088 837 3HD1 LEU 97 3HD1 LEU 97 12.208 -17.101 -24.106 838 1HD2 LEU 97 1HD2 LEU 97 13.073 -19.763 -27.369 839 2HD2 LEU 97 2HD2 LEU 97 14.118 -18.376 -27.010 840 3HD2 LEU 97 3HD2 LEU 97 14.118 -19.789 -25.932 841 H LEU 98 H LEU 98 8.543 -19.611 -26.157 842 HA LEU 98 HA LEU 98 8.453 -17.247 -27.552 843 1HB LEU 98 HB2 LEU 98 7.402 -19.321 -28.298 844 2HB LEU 98 HB3 LEU 98 6.201 -19.222 -27.005 845 HG LEU 98 HG LEU 98 5.230 -17.192 -28.028 846 1HD1 LEU 98 1HD1 LEU 98 7.170 -16.188 -29.130 847 2HD1 LEU 98 2HD1 LEU 98 7.378 -17.625 -30.158 848 3HD1 LEU 98 3HD1 LEU 98 5.965 -16.574 -30.361 849 1HD2 LEU 98 1HD2 LEU 98 4.273 -18.298 -30.004 850 2HD2 LEU 98 2HD2 LEU 98 5.576 -19.505 -29.981 851 3HD2 LEU 98 3HD2 LEU 98 4.402 -19.434 -28.650 852 H LEU 99 H LEU 99 6.306 -18.134 -24.793 853 HA LEU 99 HA LEU 99 4.948 -15.616 -24.834 854 1HB LEU 99 HB2 LEU 99 4.143 -17.763 -23.823 855 2HB LEU 99 HB3 LEU 99 5.222 -17.510 -22.459 856 HG LEU 99 HG LEU 99 2.889 -16.889 -22.012 857 1HD1 LEU 99 1HD1 LEU 99 3.186 -14.850 -20.880 858 2HD1 LEU 99 2HD1 LEU 99 4.757 -15.672 -20.832 859 3HD1 LEU 99 3HD1 LEU 99 4.474 -14.315 -21.956 860 1HD2 LEU 99 1HD2 LEU 99 2.361 -16.090 -24.366 861 2HD2 LEU 99 2HD2 LEU 99 1.739 -15.070 -23.054 862 3HD2 LEU 99 3HD2 LEU 99 3.172 -14.567 -23.961 863 H MET 100 H MET 100 7.603 -16.889 -22.788 864 HA MET 100 HA MET 100 8.086 -14.619 -21.206 865 1HB MET 100 HB2 MET 100 10.029 -16.685 -22.280 866 2HB MET 100 HB3 MET 100 10.435 -15.473 -21.055 867 1HG MET 100 HG2 MET 100 8.681 -16.307 -19.572 868 2HG MET 100 HG3 MET 100 8.187 -17.512 -20.767 869 1HE MET 100 HE1 MET 100 8.241 -19.296 -18.863 870 2HE MET 100 HE2 MET 100 9.678 -19.647 -17.871 871 3HE MET 100 HE3 MET 100 8.827 -18.095 -17.686 872 H SER 101 H SER 101 9.159 -15.195 -24.540 873 HA SER 101 HA SER 101 10.901 -12.950 -24.685 874 1HB SER 101 HB2 SER 101 9.426 -14.356 -26.943 875 2HB SER 101 HB3 SER 101 10.850 -13.305 -27.089 876 HG SER 101 HG SER 101 10.722 -15.758 -25.656 877 H THR 102 H THR 102 7.411 -12.948 -24.612 878 HA THR 102 HA THR 102 6.766 -10.976 -26.429 879 HB THR 102 HB THR 102 5.547 -11.223 -23.650 880 HG1 THR 102 HG1 THR 102 5.449 -13.185 -24.700 881 1HG2 THR 102 1HG2 THR 102 3.516 -10.352 -24.784 882 2HG2 THR 102 2HG2 THR 102 4.828 -9.177 -24.946 883 3HG2 THR 102 3HG2 THR 102 4.412 -10.258 -26.298 884 H GLU 103 H GLU 103 7.926 -10.389 -23.055 885 HA GLU 103 HA GLU 103 7.833 -7.569 -23.201 886 1HB GLU 103 HB2 GLU 103 9.397 -7.563 -21.323 887 2HB GLU 103 HB3 GLU 103 8.089 -8.726 -21.127 888 1HG GLU 103 HG2 GLU 103 9.680 -10.530 -21.923 889 2HG GLU 103 HG3 GLU 103 10.991 -9.346 -21.788 890 H ASN 104 H ASN 104 10.320 -9.818 -24.361 891 HA ASN 104 HA ASN 104 12.310 -7.781 -24.941 892 1HB ASN 104 HB2 ASN 104 13.052 -10.053 -24.769 893 2HB ASN 104 HB3 ASN 104 11.954 -10.601 -26.038 894 1HD2 ASN 104 2HD2 ASN 104 12.440 -10.213 -28.256 895 2HD2 ASN 104 1HD2 ASN 104 14.003 -9.553 -28.723 896 H GLU 105 H GLU 105 9.802 -9.453 -26.908 897 HA GLU 105 HA GLU 105 10.295 -7.963 -29.303 898 1HB GLU 105 HB2 GLU 105 7.817 -9.391 -28.258 899 2HB GLU 105 HB3 GLU 105 7.815 -8.467 -29.765 900 1HG GLU 105 HG2 GLU 105 8.220 -10.710 -30.385 901 2HG GLU 105 HG3 GLU 105 9.739 -9.842 -30.608 902 H LEU 106 H LEU 106 8.084 -7.302 -26.584 903 HA LEU 106 HA LEU 106 6.904 -4.930 -27.509 904 1HB LEU 106 HB2 LEU 106 6.344 -6.342 -25.443 905 2HB LEU 106 HB3 LEU 106 7.718 -5.575 -24.652 906 HG LEU 106 HG LEU 106 6.469 -3.317 -25.340 907 1HD1 LEU 106 1HD1 LEU 106 4.203 -5.378 -25.220 908 2HD1 LEU 106 2HD1 LEU 106 4.009 -3.612 -25.276 909 3HD1 LEU 106 3HD1 LEU 106 4.709 -4.472 -26.660 910 1HD2 LEU 106 1HD2 LEU 106 5.664 -5.200 -23.100 911 2HD2 LEU 106 2HD2 LEU 106 6.951 -3.983 -23.049 912 3HD2 LEU 106 3HD2 LEU 106 5.254 -3.469 -23.144 913 H LYS 107 H LYS 107 9.886 -5.352 -25.506 914 HA LYS 107 HA LYS 107 10.606 -2.601 -25.402 915 1HB LYS 107 HB2 LYS 107 12.243 -5.159 -25.251 916 2HB LYS 107 HB3 LYS 107 12.944 -3.543 -25.053 917 1HG LYS 107 HG2 LYS 107 11.601 -3.071 -23.115 918 2HG LYS 107 HG3 LYS 107 10.589 -4.490 -23.377 919 1HD LYS 107 HD2 LYS 107 12.133 -4.923 -21.560 920 2HD LYS 107 HD3 LYS 107 12.491 -5.992 -22.925 921 1HE LYS 107 HE2 LYS 107 14.402 -4.568 -23.579 922 2HE LYS 107 HE3 LYS 107 13.989 -3.393 -22.313 923 1HZ LYS 107 HZ1 LYS 107 14.807 -6.179 -21.876 924 2HZ LYS 107 HZ2 LYS 107 15.748 -4.845 -21.654 925 3HZ LYS 107 HZ3 LYS 107 14.432 -5.092 -20.694 926 H GLY 108 H GLY 108 11.417 -5.151 -27.789 927 1HA GLY 108 HA2 GLY 108 13.168 -3.643 -29.414 928 2HA GLY 108 HA3 GLY 108 12.187 -5.022 -29.937 929 H GLN 109 H GLN 109 9.623 -4.149 -29.752 930 HA GLN 109 HA GLN 109 9.475 -1.864 -31.675 931 1HB GLN 109 HB2 GLN 109 9.008 -4.269 -32.474 932 2HB GLN 109 HB3 GLN 109 7.497 -4.164 -31.569 933 1HG GLN 109 HG2 GLN 109 8.459 -2.268 -33.775 934 2HG GLN 109 HG3 GLN 109 7.284 -3.563 -33.986 935 1HE2 GLN 109 2HE2 GLN 109 5.110 -3.243 -33.300 936 2HE2 GLN 109 1HE2 GLN 109 4.539 -1.662 -32.793 937 H GLN 110 H GLN 110 9.281 -0.404 -30.046 938 HA GLN 110 HA GLN 110 7.814 -0.501 -27.704 939 1HB GLN 110 HB2 GLN 110 8.239 2.010 -29.390 940 2HB GLN 110 HB3 GLN 110 7.845 1.934 -27.674 941 1HG GLN 110 HG2 GLN 110 10.138 2.402 -27.730 942 2HG GLN 110 HG3 GLN 110 10.046 0.684 -27.319 943 1HE2 GLN 110 2HE2 GLN 110 11.454 -0.605 -28.503 944 2HE2 GLN 110 1HE2 GLN 110 11.915 -0.324 -30.155 945 H ALA 111 H ALA 111 6.615 0.530 -30.930 946 HA ALA 111 HA ALA 111 4.067 1.487 -29.787 947 1HB ALA 111 HB1 ALA 111 5.176 2.788 -31.550 948 2HB ALA 111 HB2 ALA 111 5.096 1.397 -32.653 949 3HB ALA 111 HB3 ALA 111 3.601 2.179 -32.095 950 H LEU 112 H LEU 112 4.004 -0.929 -28.984 951 HA LEU 112 HA LEU 112 3.082 -2.846 -30.979 952 1HB LEU 112 HB2 LEU 112 4.395 -3.320 -28.840 953 2HB LEU 112 HB3 LEU 112 2.896 -3.075 -27.953 954 HG LEU 112 HG LEU 112 3.314 -5.401 -28.267 955 1HD1 LEU 112 1HD1 LEU 112 0.929 -4.685 -28.441 956 2HD1 LEU 112 2HD1 LEU 112 1.074 -4.779 -30.216 957 3HD1 LEU 112 3HD1 LEU 112 1.296 -6.229 -29.234 958 1HD2 LEU 112 1HD2 LEU 112 4.781 -5.247 -30.264 959 2HD2 LEU 112 2HD2 LEU 112 3.568 -6.535 -30.380 960 3HD2 LEU 112 3HD2 LEU 112 3.342 -5.035 -31.287 Start of MODEL 7 1 1H GLY 1 H1 GLY 1 -0.005 -6.110 -6.035 2 2H GLY 1 H2 GLY 1 -1.613 -6.047 -5.642 3 3H GLY 1 H3 GLY 1 -0.869 -4.735 -6.320 4 1HA GLY 1 HA2 GLY 1 -0.190 -5.813 -3.690 5 2HA GLY 1 HA3 GLY 1 0.507 -4.379 -4.458 6 H VAL 2 H VAL 2 -2.039 -5.579 -2.526 7 HA VAL 2 HA VAL 2 -4.101 -3.713 -3.190 8 HB VAL 2 HB VAL 2 -3.820 -5.538 -0.792 9 1HG1 VAL 2 1HG1 VAL 2 -6.269 -5.585 -0.767 10 2HG1 VAL 2 2HG1 VAL 2 -5.711 -3.932 -0.564 11 3HG1 VAL 2 3HG1 VAL 2 -6.343 -4.468 -2.137 12 1HG2 VAL 2 1HG2 VAL 2 -3.580 -6.895 -2.829 13 2HG2 VAL 2 2HG2 VAL 2 -5.194 -7.135 -2.170 14 3HG2 VAL 2 3HG2 VAL 2 -4.968 -6.071 -3.570 15 H ARG 3 H ARG 3 -2.402 -1.839 -2.951 16 HA ARG 3 HA ARG 3 -3.028 -0.383 -0.507 17 1HB ARG 3 HB2 ARG 3 -0.947 -2.039 -0.223 18 2HB ARG 3 HB3 ARG 3 -0.057 -0.749 -1.006 19 1HG ARG 3 HG2 ARG 3 -1.870 -0.514 1.430 20 2HG ARG 3 HG3 ARG 3 -0.111 -0.722 1.499 21 1HD ARG 3 HD2 ARG 3 -0.202 1.539 1.767 22 2HD ARG 3 HD3 ARG 3 -0.027 1.459 0.025 23 HE ARG 3 HE ARG 3 -2.636 1.749 1.515 24 1HH1 ARG 3 1HH1 ARG 3 -0.822 2.695 -1.366 25 2HH1 ARG 3 2HH1 ARG 3 -1.475 4.314 -1.414 26 1HH2 ARG 3 1HH2 ARG 3 -3.653 3.769 1.336 27 2HH2 ARG 3 2HH2 ARG 3 -3.273 4.836 0.013 28 H LYS 4 H LYS 4 -4.061 0.858 -2.261 29 HA LYS 4 HA LYS 4 -2.259 2.857 -3.496 30 1HB LYS 4 HB2 LYS 4 -2.570 0.797 -5.048 31 2HB LYS 4 HB3 LYS 4 -4.250 1.289 -5.177 32 1HG LYS 4 HG2 LYS 4 -2.965 1.995 -7.082 33 2HG LYS 4 HG3 LYS 4 -3.486 3.452 -6.216 34 1HD LYS 4 HD2 LYS 4 -1.341 4.141 -6.094 35 2HD LYS 4 HD3 LYS 4 -0.939 2.692 -5.185 36 1HE LYS 4 HE2 LYS 4 0.520 2.758 -7.075 37 2HE LYS 4 HE3 LYS 4 -0.620 1.419 -7.266 38 1HZ LYS 4 HZ1 LYS 4 -0.809 4.050 -8.568 39 2HZ LYS 4 HZ2 LYS 4 -0.342 2.623 -9.261 40 3HZ LYS 4 HZ3 LYS 4 -1.897 2.817 -8.738 41 H GLY 5 H GLY 5 -4.348 2.791 -1.355 42 1HA GLY 5 HA2 GLY 5 -5.947 4.314 -0.640 43 2HA GLY 5 HA3 GLY 5 -5.918 5.130 -2.206 44 H TRP 6 H TRP 6 -6.708 3.589 -4.038 45 HA TRP 6 HA TRP 6 -9.493 2.996 -3.531 46 1HB TRP 6 HB2 TRP 6 -9.567 2.426 -5.883 47 2HB TRP 6 HB3 TRP 6 -8.712 3.933 -5.627 48 HD1 TRP 6 HD1 TRP 6 -6.200 4.068 -6.331 49 HE1 TRP 6 HE1 TRP 6 -4.709 2.664 -7.860 50 HE3 TRP 6 HE3 TRP 6 -9.012 -0.224 -6.497 51 HZ2 TRP 6 HZ2 TRP 6 -4.650 -0.003 -8.877 52 HZ3 TRP 6 HZ3 TRP 6 -8.193 -2.166 -7.821 53 HH2 TRP 6 HH2 TRP 6 -6.032 -2.074 -8.989 54 H HIS 7 H HIS 7 -6.663 1.090 -3.242 55 HA HIS 7 HA HIS 7 -7.168 -1.376 -4.207 56 1HB HIS 7 HB2 HIS 7 -5.755 -2.238 -2.350 57 2HB HIS 7 HB3 HIS 7 -5.089 -0.809 -3.133 58 HD2 HIS 7 HD2 HIS 7 -6.501 -2.012 0.256 59 HE1 HIS 7 HE1 HIS 7 -5.396 2.053 0.795 60 HE2 HIS 7 HE2 HIS 7 -6.175 -0.071 1.967 61 H GLU 8 H GLU 8 -8.451 -0.142 -1.132 62 HA GLU 8 HA GLU 8 -9.490 -2.418 0.025 63 1HB GLU 8 HB2 GLU 8 -11.211 -0.809 0.992 64 2HB GLU 8 HB3 GLU 8 -9.509 -0.408 1.256 65 1HG GLU 8 HG2 GLU 8 -9.527 1.355 -0.310 66 2HG GLU 8 HG3 GLU 8 -11.023 0.822 -1.071 67 H HIS 9 H HIS 9 -10.794 -0.727 -2.794 68 HA HIS 9 HA HIS 9 -13.422 -1.971 -2.668 69 1HB HIS 9 HB2 HIS 9 -11.869 -0.599 -4.888 70 2HB HIS 9 HB3 HIS 9 -13.559 -1.092 -4.992 71 HD2 HIS 9 HD2 HIS 9 -13.287 0.315 -1.614 72 HE1 HIS 9 HE1 HIS 9 -13.956 3.735 -4.044 73 HE2 HIS 9 HE2 HIS 9 -13.878 2.845 -1.648 74 H VAL 10 H VAL 10 -10.270 -2.914 -3.932 75 HA VAL 10 HA VAL 10 -11.521 -5.047 -5.614 76 HB VAL 10 HB VAL 10 -8.996 -3.466 -6.136 77 1HG1 VAL 10 1HG1 VAL 10 -8.933 -4.564 -8.251 78 2HG1 VAL 10 2HG1 VAL 10 -9.134 -5.865 -7.069 79 3HG1 VAL 10 3HG1 VAL 10 -10.525 -5.303 -8.014 80 1HG2 VAL 10 1HG2 VAL 10 -10.409 -2.582 -8.106 81 2HG2 VAL 10 2HG2 VAL 10 -11.823 -3.247 -7.279 82 3HG2 VAL 10 3HG2 VAL 10 -10.860 -1.969 -6.513 83 H THR 11 H THR 11 -11.466 -6.645 -4.113 84 HA THR 11 HA THR 11 -9.095 -7.351 -2.604 85 HB THR 11 HB THR 11 -10.689 -9.277 -1.976 86 HG1 THR 11 HG1 THR 11 -12.820 -9.012 -2.715 87 1HG2 THR 11 1HG2 THR 11 -11.791 -6.449 -1.644 88 2HG2 THR 11 2HG2 THR 11 -12.163 -7.865 -0.638 89 3HG2 THR 11 3HG2 THR 11 -10.520 -7.192 -0.646 90 H GLN 12 H GLN 12 -8.343 -9.601 -2.638 91 HA GLN 12 HA GLN 12 -7.193 -10.432 -5.021 92 1HB GLN 12 HB2 GLN 12 -7.954 -12.005 -2.538 93 2HB GLN 12 HB3 GLN 12 -6.947 -12.639 -3.830 94 1HG GLN 12 HG2 GLN 12 -6.314 -10.231 -2.056 95 2HG GLN 12 HG3 GLN 12 -5.545 -11.817 -1.989 96 1HE2 GLN 12 1HE2 GLN 12 -4.784 -12.490 -4.472 97 2HE2 GLN 12 2HE2 GLN 12 -3.802 -11.238 -5.207 98 H ASP 13 H ASP 13 -10.309 -11.511 -3.638 99 HA ASP 13 HA ASP 13 -11.071 -13.464 -5.439 100 1HB ASP 13 HB2 ASP 13 -12.831 -11.233 -4.301 101 2HB ASP 13 HB3 ASP 13 -13.365 -12.794 -4.923 102 H LEU 14 H LEU 14 -11.693 -9.928 -5.762 103 HA LEU 14 HA LEU 14 -12.793 -10.180 -8.396 104 1HB LEU 14 HB2 LEU 14 -13.469 -8.357 -7.001 105 2HB LEU 14 HB3 LEU 14 -11.805 -7.809 -6.789 106 HG LEU 14 HG LEU 14 -11.660 -7.096 -9.075 107 1HD1 LEU 14 1HD1 LEU 14 -13.125 -8.799 -10.208 108 2HD1 LEU 14 2HD1 LEU 14 -14.543 -7.997 -9.521 109 3HD1 LEU 14 3HD1 LEU 14 -13.506 -7.142 -10.666 110 1HD2 LEU 14 1HD2 LEU 14 -13.153 -5.224 -8.973 111 2HD2 LEU 14 2HD2 LEU 14 -14.333 -6.118 -7.991 112 3HD2 LEU 14 3HD2 LEU 14 -12.777 -5.651 -7.304 113 H ARG 15 H ARG 15 -9.518 -9.285 -7.189 114 HA ARG 15 HA ARG 15 -8.317 -8.745 -9.690 115 1HB ARG 15 HB2 ARG 15 -7.108 -10.231 -7.327 116 2HB ARG 15 HB3 ARG 15 -6.219 -9.586 -8.702 117 1HG ARG 15 HG2 ARG 15 -6.995 -7.277 -8.117 118 2HG ARG 15 HG3 ARG 15 -7.832 -7.923 -6.710 119 1HD ARG 15 HD2 ARG 15 -5.684 -7.104 -5.955 120 2HD ARG 15 HD3 ARG 15 -5.681 -8.871 -5.883 121 HE ARG 15 HE ARG 15 -4.704 -7.813 -8.405 122 1HH1 ARG 15 1HH1 ARG 15 -3.697 -8.612 -5.074 123 2HH1 ARG 15 2HH1 ARG 15 -2.021 -8.791 -5.516 124 1HH2 ARG 15 1HH2 ARG 15 -2.627 -8.347 -8.990 125 2HH2 ARG 15 2HH2 ARG 15 -1.378 -8.621 -7.795 126 H SER 16 H SER 16 -8.747 -11.918 -8.077 127 HA SER 16 HA SER 16 -7.556 -13.503 -10.106 128 1HB SER 16 HB2 SER 16 -8.022 -14.201 -7.751 129 2HB SER 16 HB3 SER 16 -9.745 -14.317 -8.142 130 HG SER 16 HG SER 16 -9.143 -15.896 -9.737 131 H HIS 17 H HIS 17 -10.993 -12.585 -9.525 132 HA HIS 17 HA HIS 17 -12.128 -13.981 -11.693 133 1HB HIS 17 HB2 HIS 17 -13.198 -12.632 -9.745 134 2HB HIS 17 HB3 HIS 17 -13.091 -11.237 -10.816 135 HD2 HIS 17 HD2 HIS 17 -14.082 -12.871 -13.550 136 HE1 HIS 17 HE1 HIS 17 -17.618 -13.482 -11.273 137 HE2 HIS 17 HE2 HIS 17 -16.630 -13.446 -13.626 138 H LEU 18 H LEU 18 -10.772 -10.652 -11.567 139 HA LEU 18 HA LEU 18 -11.179 -10.036 -14.310 140 1HB LEU 18 HB2 LEU 18 -9.230 -8.989 -12.238 141 2HB LEU 18 HB3 LEU 18 -9.353 -8.297 -13.864 142 HG LEU 18 HG LEU 18 -11.742 -8.560 -11.992 143 1HD1 LEU 18 1HD1 LEU 18 -11.408 -6.173 -11.455 144 2HD1 LEU 18 2HD1 LEU 18 -10.060 -7.175 -10.871 145 3HD1 LEU 18 3HD1 LEU 18 -9.869 -6.196 -12.345 146 1HD2 LEU 18 1HD2 LEU 18 -12.715 -6.796 -13.356 147 2HD2 LEU 18 2HD2 LEU 18 -11.236 -6.702 -14.343 148 3HD2 LEU 18 3HD2 LEU 18 -12.263 -8.148 -14.404 149 H VAL 19 H VAL 19 -8.258 -11.421 -12.694 150 HA VAL 19 HA VAL 19 -6.682 -11.802 -14.992 151 HB VAL 19 HB VAL 19 -6.975 -13.400 -12.444 152 1HG1 VAL 19 1HG1 VAL 19 -4.866 -13.900 -14.568 153 2HG1 VAL 19 2HG1 VAL 19 -4.948 -14.619 -12.956 154 3HG1 VAL 19 3HG1 VAL 19 -6.180 -15.027 -14.148 155 1HG2 VAL 19 1HG2 VAL 19 -4.751 -12.424 -11.974 156 2HG2 VAL 19 2HG2 VAL 19 -4.768 -11.601 -13.551 157 3HG2 VAL 19 3HG2 VAL 19 -5.939 -11.163 -12.295 158 H HIS 20 H HIS 20 -9.244 -14.015 -13.712 159 HA HIS 20 HA HIS 20 -9.086 -15.885 -15.833 160 1HB HIS 20 HB2 HIS 20 -10.384 -16.170 -13.714 161 2HB HIS 20 HB3 HIS 20 -11.584 -15.044 -14.337 162 HD2 HIS 20 HD2 HIS 20 -13.300 -17.031 -13.937 163 HE1 HIS 20 HE1 HIS 20 -11.916 -19.640 -16.987 164 HE2 HIS 20 HE2 HIS 20 -13.776 -19.217 -15.316 165 H LYS 21 H LYS 21 -11.126 -12.889 -15.590 166 HA LYS 21 HA LYS 21 -12.281 -13.119 -18.168 167 1HB LYS 21 HB2 LYS 21 -11.533 -10.509 -16.799 168 2HB LYS 21 HB3 LYS 21 -12.601 -10.704 -18.173 169 1HG LYS 21 HG2 LYS 21 -13.098 -11.558 -15.322 170 2HG LYS 21 HG3 LYS 21 -13.923 -10.345 -16.268 171 1HD LYS 21 HD2 LYS 21 -14.111 -13.337 -16.798 172 2HD LYS 21 HD3 LYS 21 -15.306 -12.324 -15.983 173 1HE LYS 21 HE2 LYS 21 -15.477 -10.896 -18.060 174 2HE LYS 21 HE3 LYS 21 -14.451 -12.076 -18.899 175 1HZ LYS 21 HZ1 LYS 21 -16.112 -13.742 -18.370 176 2HZ LYS 21 HZ2 LYS 21 -17.059 -12.593 -17.652 177 3HZ LYS 21 HZ3 LYS 21 -16.744 -12.510 -19.264 178 H LEU 22 H LEU 22 -9.068 -11.761 -17.258 179 HA LEU 22 HA LEU 22 -8.434 -10.835 -19.896 180 1HB LEU 22 HB2 LEU 22 -6.561 -11.994 -17.814 181 2HB LEU 22 HB3 LEU 22 -6.069 -11.142 -19.266 182 HG LEU 22 HG LEU 22 -7.613 -9.925 -16.945 183 1HD1 LEU 22 1HD1 LEU 22 -5.481 -8.676 -16.622 184 2HD1 LEU 22 2HD1 LEU 22 -5.292 -10.420 -16.389 185 3HD1 LEU 22 3HD1 LEU 22 -4.748 -9.674 -17.903 186 1HD2 LEU 22 1HD2 LEU 22 -6.549 -8.718 -19.546 187 2HD2 LEU 22 2HD2 LEU 22 -8.246 -8.840 -19.026 188 3HD2 LEU 22 3HD2 LEU 22 -7.142 -7.771 -18.167 189 H VAL 23 H VAL 23 -7.812 -14.039 -18.349 190 HA VAL 23 HA VAL 23 -6.642 -15.178 -20.672 191 HB VAL 23 HB VAL 23 -8.264 -16.662 -18.585 192 1HG1 VAL 23 1HG1 VAL 23 -7.880 -18.014 -20.631 193 2HG1 VAL 23 2HG1 VAL 23 -6.154 -17.612 -20.600 194 3HG1 VAL 23 3HG1 VAL 23 -6.863 -18.601 -19.312 195 1HG2 VAL 23 1HG2 VAL 23 -6.378 -15.413 -17.549 196 2HG2 VAL 23 2HG2 VAL 23 -6.069 -17.147 -17.557 197 3HG2 VAL 23 3HG2 VAL 23 -5.265 -16.101 -18.747 198 H GLN 24 H GLN 24 -10.112 -15.196 -19.651 199 HA GLN 24 HA GLN 24 -11.057 -16.575 -21.957 200 1HB GLN 24 HB2 GLN 24 -12.532 -14.418 -20.359 201 2HB GLN 24 HB3 GLN 24 -13.250 -15.598 -21.460 202 1HG GLN 24 HG2 GLN 24 -12.067 -16.089 -18.718 203 2HG GLN 24 HG3 GLN 24 -13.680 -16.434 -19.313 204 1HE2 GLN 24 2HE2 GLN 24 -10.888 -17.971 -18.416 205 2HE2 GLN 24 1HE2 GLN 24 -11.065 -19.395 -19.460 206 H ALA 25 H ALA 25 -10.711 -13.055 -21.441 207 HA ALA 25 HA ALA 25 -11.922 -12.290 -23.885 208 1HB ALA 25 HB1 ALA 25 -11.583 -10.784 -21.939 209 2HB ALA 25 HB2 ALA 25 -9.833 -10.780 -22.259 210 3HB ALA 25 HB3 ALA 25 -10.968 -10.113 -23.457 211 H ILE 26 H ILE 26 -8.486 -12.895 -23.029 212 HA ILE 26 HA ILE 26 -7.407 -12.365 -25.628 213 HB ILE 26 HB ILE 26 -6.442 -14.087 -23.316 214 1HG1 ILE 26 2HG1 ILE 26 -5.550 -11.337 -24.308 215 2HG1 ILE 26 3HG1 ILE 26 -6.695 -11.553 -22.989 216 1HG2 ILE 26 1HG2 ILE 26 -4.222 -14.030 -24.424 217 2HG2 ILE 26 2HG2 ILE 26 -5.394 -14.883 -25.409 218 3HG2 ILE 26 3HG2 ILE 26 -4.945 -13.217 -25.829 219 1HD1 ILE 26 1HD1 ILE 26 -4.570 -11.166 -21.998 220 2HD1 ILE 26 2HD1 ILE 26 -4.976 -12.870 -21.725 221 3HD1 ILE 26 3HD1 ILE 26 -3.783 -12.416 -22.966 222 H PHE 27 H PHE 27 -8.562 -15.354 -24.018 223 HA PHE 27 HA PHE 27 -8.988 -16.776 -26.567 224 1HB PHE 27 HB2 PHE 27 -6.587 -16.955 -26.187 225 2HB PHE 27 HB3 PHE 27 -6.869 -17.475 -24.531 226 HD1 PHE 27 HD1 PHE 27 -7.298 -18.463 -28.118 227 HD2 PHE 27 HD2 PHE 27 -7.291 -19.760 -24.007 228 HE1 PHE 27 HE1 PHE 27 -7.199 -20.831 -28.857 229 HE2 PHE 27 HE2 PHE 27 -7.121 -22.095 -24.732 230 HZ PHE 27 HZ PHE 27 -7.108 -22.661 -27.174 231 HA PRO 28 HA PRO 28 -12.104 -17.860 -23.338 232 1HB PRO 28 HB2 PRO 28 -13.275 -19.100 -25.793 233 2HB PRO 28 HB3 PRO 28 -14.120 -18.229 -24.483 234 1HG PRO 28 HG2 PRO 28 -13.606 -16.952 -26.820 235 2HG PRO 28 HG3 PRO 28 -13.259 -16.117 -25.276 236 1HD PRO 28 HD2 PRO 28 -11.309 -17.576 -27.080 237 2HD PRO 28 HD3 PRO 28 -11.147 -15.974 -26.297 238 H THR 29 H THR 29 -11.940 -19.701 -22.018 239 HA THR 29 HA THR 29 -10.409 -21.982 -23.049 240 HB THR 29 HB THR 29 -10.389 -22.611 -20.663 241 HG1 THR 29 HG1 THR 29 -12.427 -21.394 -20.280 242 1HG2 THR 29 1HG2 THR 29 -8.904 -20.799 -19.975 243 2HG2 THR 29 2HG2 THR 29 -8.663 -21.163 -21.703 244 3HG2 THR 29 3HG2 THR 29 -9.574 -19.720 -21.219 245 HA PRO 30 HA PRO 30 -14.308 -24.235 -23.728 246 1HB PRO 30 HB2 PRO 30 -12.307 -26.498 -23.709 247 2HB PRO 30 HB3 PRO 30 -13.725 -26.274 -24.773 248 1HG PRO 30 HG2 PRO 30 -11.267 -25.619 -25.696 249 2HG PRO 30 HG3 PRO 30 -12.625 -24.482 -25.951 250 1HD PRO 30 HD2 PRO 30 -10.475 -24.358 -23.822 251 2HD PRO 30 HD3 PRO 30 -11.124 -23.064 -24.872 252 H ASP 31 H ASP 31 -11.850 -25.188 -21.249 253 HA ASP 31 HA ASP 31 -14.033 -25.940 -19.429 254 1HB ASP 31 HB2 ASP 31 -13.415 -27.991 -20.801 255 2HB ASP 31 HB3 ASP 31 -11.804 -27.904 -20.093 256 HA PRO 32 HA PRO 32 -11.116 -23.946 -16.573 257 1HB PRO 32 HB2 PRO 32 -12.356 -26.058 -14.776 258 2HB PRO 32 HB3 PRO 32 -11.902 -24.379 -14.359 259 1HG PRO 32 HG2 PRO 32 -14.476 -24.931 -14.974 260 2HG PRO 32 HG3 PRO 32 -13.694 -23.506 -15.722 261 1HD PRO 32 HD2 PRO 32 -14.177 -26.227 -16.945 262 2HD PRO 32 HD3 PRO 32 -14.376 -24.601 -17.666 263 H ALA 33 H ALA 33 -11.365 -27.567 -16.624 264 HA ALA 33 HA ALA 33 -8.894 -28.144 -15.418 265 1HB ALA 33 HB1 ALA 33 -9.060 -30.310 -16.562 266 2HB ALA 33 HB2 ALA 33 -10.640 -29.823 -15.917 267 3HB ALA 33 HB3 ALA 33 -10.298 -29.663 -17.656 268 H ALA 34 H ALA 34 -9.581 -27.017 -18.694 269 HA ALA 34 HA ALA 34 -7.174 -27.819 -19.971 270 1HB ALA 34 HB1 ALA 34 -8.816 -25.331 -20.577 271 2HB ALA 34 HB2 ALA 34 -7.760 -26.232 -21.675 272 3HB ALA 34 HB3 ALA 34 -9.272 -26.971 -21.098 273 H LEU 35 H LEU 35 -7.822 -25.260 -17.624 274 HA LEU 35 HA LEU 35 -5.694 -23.500 -18.184 275 1HB LEU 35 HB2 LEU 35 -6.915 -24.289 -15.527 276 2HB LEU 35 HB3 LEU 35 -5.857 -22.902 -15.769 277 HG LEU 35 HG LEU 35 -8.509 -23.210 -17.259 278 1HD1 LEU 35 1HD1 LEU 35 -8.918 -23.115 -14.821 279 2HD1 LEU 35 2HD1 LEU 35 -7.908 -21.658 -14.707 280 3HD1 LEU 35 3HD1 LEU 35 -9.430 -21.621 -15.624 281 1HD2 LEU 35 1HD2 LEU 35 -8.281 -20.784 -17.594 282 2HD2 LEU 35 2HD2 LEU 35 -6.706 -20.807 -16.781 283 3HD2 LEU 35 3HD2 LEU 35 -6.926 -21.649 -18.330 284 H LYS 36 H LYS 36 -5.577 -26.778 -16.868 285 HA LYS 36 HA LYS 36 -3.010 -26.531 -15.597 286 1HB LYS 36 HB2 LYS 36 -4.528 -28.921 -16.686 287 2HB LYS 36 HB3 LYS 36 -3.075 -29.002 -15.683 288 1HG LYS 36 HG2 LYS 36 -4.219 -27.805 -13.854 289 2HG LYS 36 HG3 LYS 36 -5.698 -27.724 -14.830 290 1HD LYS 36 HD2 LYS 36 -5.780 -30.201 -14.928 291 2HD LYS 36 HD3 LYS 36 -4.316 -30.289 -13.924 292 1HE LYS 36 HE2 LYS 36 -5.507 -29.103 -12.086 293 2HE LYS 36 HE3 LYS 36 -6.964 -29.004 -13.093 294 1HZ LYS 36 HZ1 LYS 36 -7.077 -30.823 -11.581 295 2HZ LYS 36 HZ2 LYS 36 -7.018 -31.396 -13.125 296 3HZ LYS 36 HZ3 LYS 36 -5.681 -31.476 -12.164 297 H ASP 37 H ASP 37 -3.900 -26.674 -18.983 298 HA ASP 37 HA ASP 37 -1.650 -28.119 -19.989 299 1HB ASP 37 HB2 ASP 37 -3.587 -27.721 -21.378 300 2HB ASP 37 HB3 ASP 37 -3.424 -25.969 -21.198 301 H ARG 38 H ARG 38 0.433 -27.479 -20.516 302 HA ARG 38 HA ARG 38 1.614 -25.487 -19.021 303 1HB ARG 38 HB2 ARG 38 3.644 -25.903 -20.244 304 2HB ARG 38 HB3 ARG 38 2.797 -27.419 -19.917 305 1HG ARG 38 HG2 ARG 38 1.930 -27.413 -22.280 306 2HG ARG 38 HG3 ARG 38 2.823 -25.915 -22.573 307 1HD ARG 38 HD2 ARG 38 4.957 -27.168 -21.905 308 2HD ARG 38 HD3 ARG 38 3.982 -28.633 -21.869 309 HE ARG 38 HE ARG 38 3.941 -28.703 -24.156 310 1HH1 ARG 38 1HH1 ARG 38 5.037 -25.487 -23.169 311 2HH1 ARG 38 2HH1 ARG 38 5.468 -24.982 -24.775 312 1HH2 ARG 38 1HH2 ARG 38 4.498 -28.055 -26.265 313 2HH2 ARG 38 2HH2 ARG 38 5.172 -26.478 -26.566 314 H ARG 39 H ARG 39 0.174 -25.036 -22.225 315 HA ARG 39 HA ARG 39 1.371 -22.337 -22.517 316 1HB ARG 39 HB2 ARG 39 -0.711 -23.747 -24.210 317 2HB ARG 39 HB3 ARG 39 0.064 -22.206 -24.562 318 1HG ARG 39 HG2 ARG 39 1.494 -24.908 -24.430 319 2HG ARG 39 HG3 ARG 39 0.985 -24.059 -25.885 320 1HD ARG 39 HD2 ARG 39 3.308 -23.623 -25.663 321 2HD ARG 39 HD3 ARG 39 2.455 -22.127 -25.241 322 HE ARG 39 HE ARG 39 3.145 -23.971 -23.041 323 1HH1 ARG 39 1HH1 ARG 39 4.259 -21.061 -24.764 324 2HH1 ARG 39 2HH1 ARG 39 4.689 -20.249 -23.267 325 1HH2 ARG 39 1HH2 ARG 39 3.688 -22.813 -21.147 326 2HH2 ARG 39 2HH2 ARG 39 4.661 -21.366 -21.301 327 H MET 40 H MET 40 -1.759 -23.815 -21.542 328 HA MET 40 HA MET 40 -3.014 -21.244 -21.292 329 1HB MET 40 HB2 MET 40 -3.553 -23.924 -19.931 330 2HB MET 40 HB3 MET 40 -4.478 -22.452 -19.655 331 1HG MET 40 HG2 MET 40 -4.262 -23.960 -22.269 332 2HG MET 40 HG3 MET 40 -5.672 -23.737 -21.218 333 1HE MET 40 HE1 MET 40 -6.438 -19.912 -21.753 334 2HE MET 40 HE2 MET 40 -6.636 -21.323 -20.680 335 3HE MET 40 HE3 MET 40 -5.125 -20.394 -20.662 336 H GLU 41 H GLU 41 -1.152 -23.251 -18.996 337 HA GLU 41 HA GLU 41 -1.211 -21.531 -16.817 338 1HB GLU 41 HB2 GLU 41 -0.179 -23.749 -16.790 339 2HB GLU 41 HB3 GLU 41 1.119 -23.192 -17.859 340 1HG GLU 41 HG2 GLU 41 1.830 -23.317 -15.492 341 2HG GLU 41 HG3 GLU 41 1.967 -21.679 -16.133 342 H ASN 42 H ASN 42 0.614 -21.204 -19.843 343 HA ASN 42 HA ASN 42 2.220 -18.979 -19.003 344 1HB ASN 42 HB2 ASN 42 2.344 -20.552 -21.125 345 2HB ASN 42 HB3 ASN 42 1.387 -19.290 -21.884 346 1HD2 ASN 42 2HD2 ASN 42 2.454 -16.951 -20.557 347 2HD2 ASN 42 1HD2 ASN 42 4.104 -16.798 -21.138 348 H LEU 43 H LEU 43 -0.949 -19.260 -20.648 349 HA LEU 43 HA LEU 43 -1.352 -16.404 -20.991 350 1HB LEU 43 HB2 LEU 43 -3.306 -18.740 -20.920 351 2HB LEU 43 HB3 LEU 43 -3.833 -17.062 -20.911 352 HG LEU 43 HG LEU 43 -2.467 -16.678 -23.022 353 1HD1 LEU 43 1HD1 LEU 43 -2.137 -18.699 -24.432 354 2HD1 LEU 43 2HD1 LEU 43 -1.114 -18.750 -22.987 355 3HD1 LEU 43 3HD1 LEU 43 -2.610 -19.721 -23.059 356 1HD2 LEU 43 1HD2 LEU 43 -4.856 -18.578 -23.128 357 2HD2 LEU 43 2HD2 LEU 43 -4.927 -16.802 -22.954 358 3HD2 LEU 43 3HD2 LEU 43 -4.282 -17.528 -24.435 359 H VAL 44 H VAL 44 -2.324 -18.709 -18.457 360 HA VAL 44 HA VAL 44 -3.684 -16.936 -16.726 361 HB VAL 44 HB VAL 44 -2.081 -19.464 -16.266 362 1HG1 VAL 44 1HG1 VAL 44 -2.127 -18.312 -14.119 363 2HG1 VAL 44 2HG1 VAL 44 -3.866 -17.973 -14.303 364 3HG1 VAL 44 3HG1 VAL 44 -3.291 -19.640 -14.082 365 1HG2 VAL 44 1HG2 VAL 44 -4.218 -19.619 -17.662 366 2HG2 VAL 44 2HG2 VAL 44 -4.228 -20.575 -16.180 367 3HG2 VAL 44 3HG2 VAL 44 -5.093 -19.026 -16.244 368 H ALA 45 H ALA 45 -0.233 -17.962 -16.685 369 HA ALA 45 HA ALA 45 0.666 -16.260 -14.653 370 1HB ALA 45 HB1 ALA 45 2.896 -16.605 -15.630 371 2HB ALA 45 HB2 ALA 45 1.976 -18.117 -15.588 372 3HB ALA 45 HB3 ALA 45 2.167 -17.236 -17.120 373 H TYR 46 H TYR 46 0.573 -15.641 -18.214 374 HA TYR 46 HA TYR 46 1.598 -13.008 -18.146 375 1HB TYR 46 HB2 TYR 46 1.220 -14.319 -20.224 376 2HB TYR 46 HB3 TYR 46 -0.520 -14.220 -20.007 377 HD1 TYR 46 HD1 TYR 46 2.515 -12.385 -20.985 378 HD2 TYR 46 HD2 TYR 46 -1.738 -12.070 -20.332 379 HE1 TYR 46 HE1 TYR 46 2.500 -10.201 -22.137 380 HE2 TYR 46 HE2 TYR 46 -1.725 -9.816 -21.364 381 HH TYR 46 HH TYR 46 1.238 -8.435 -22.832 382 H ALA 47 H ALA 47 -1.828 -14.092 -17.946 383 HA ALA 47 HA ALA 47 -2.979 -11.512 -17.664 384 1HB ALA 47 HB1 ALA 47 -3.879 -14.274 -16.717 385 2HB ALA 47 HB2 ALA 47 -4.886 -12.821 -16.647 386 3HB ALA 47 HB3 ALA 47 -4.334 -13.445 -18.217 387 H LYS 48 H LYS 48 -1.804 -13.803 -15.128 388 HA LYS 48 HA LYS 48 -2.475 -12.185 -12.886 389 1HB LYS 48 HB2 LYS 48 -0.232 -14.187 -13.345 390 2HB LYS 48 HB3 LYS 48 -0.511 -13.381 -11.796 391 1HG LYS 48 HG2 LYS 48 -2.754 -14.312 -11.634 392 2HG LYS 48 HG3 LYS 48 -2.606 -15.057 -13.238 393 1HD LYS 48 HD2 LYS 48 -0.753 -16.462 -12.467 394 2HD LYS 48 HD3 LYS 48 -0.785 -15.688 -10.870 395 1HE LYS 48 HE2 LYS 48 -3.032 -16.561 -10.431 396 2HE LYS 48 HE3 LYS 48 -3.136 -17.224 -12.070 397 1HZ LYS 48 HZ1 LYS 48 -1.212 -18.059 -10.017 398 2HZ LYS 48 HZ2 LYS 48 -2.555 -18.890 -10.485 399 3HZ LYS 48 HZ3 LYS 48 -1.314 -18.670 -11.545 400 H LYS 49 H LYS 49 0.588 -12.360 -14.754 401 HA LYS 49 HA LYS 49 2.019 -10.332 -13.428 402 1HB LYS 49 HB2 LYS 49 2.064 -11.386 -16.268 403 2HB LYS 49 HB3 LYS 49 3.174 -10.129 -15.745 404 1HG LYS 49 HG2 LYS 49 4.073 -11.562 -14.008 405 2HG LYS 49 HG3 LYS 49 2.881 -12.826 -14.359 406 1HD LYS 49 HD2 LYS 49 3.830 -13.152 -16.603 407 2HD LYS 49 HD3 LYS 49 4.930 -11.783 -16.374 408 1HE LYS 49 HE2 LYS 49 6.121 -13.906 -16.060 409 2HE LYS 49 HE3 LYS 49 6.101 -12.970 -14.558 410 1HZ LYS 49 HZ1 LYS 49 5.607 -15.282 -14.207 411 2HZ LYS 49 HZ2 LYS 49 4.314 -14.350 -13.791 412 3HZ LYS 49 HZ3 LYS 49 4.299 -15.195 -15.206 413 H VAL 50 H VAL 50 0.020 -10.016 -16.384 414 HA VAL 50 HA VAL 50 0.301 -7.209 -16.582 415 HB VAL 50 HB VAL 50 -1.141 -9.325 -17.989 416 1HG1 VAL 50 1HG1 VAL 50 -3.178 -8.217 -17.336 417 2HG1 VAL 50 2HG1 VAL 50 -2.567 -6.656 -17.954 418 3HG1 VAL 50 3HG1 VAL 50 -2.843 -8.027 -19.061 419 1HG2 VAL 50 1HG2 VAL 50 -0.611 -7.898 -19.912 420 2HG2 VAL 50 2HG2 VAL 50 -0.145 -6.577 -18.833 421 3HG2 VAL 50 3HG2 VAL 50 0.805 -8.084 -18.858 422 H GLU 51 H GLU 51 -2.376 -9.123 -15.006 423 HA GLU 51 HA GLU 51 -3.854 -6.872 -14.220 424 1HB GLU 51 HB2 GLU 51 -4.667 -9.154 -14.153 425 2HB GLU 51 HB3 GLU 51 -3.556 -9.558 -12.842 426 1HG GLU 51 HG2 GLU 51 -5.614 -7.305 -12.643 427 2HG GLU 51 HG3 GLU 51 -6.044 -8.965 -12.268 428 H GLY 52 H GLY 52 -1.172 -8.539 -12.496 429 1HA GLY 52 HA2 GLY 52 -1.050 -6.900 -10.201 430 2HA GLY 52 HA3 GLY 52 0.330 -7.716 -10.963 431 H ASP 53 H ASP 53 0.745 -6.570 -13.291 432 HA ASP 53 HA ASP 53 2.074 -4.171 -12.836 433 1HB ASP 53 HB2 ASP 53 2.447 -5.620 -14.786 434 2HB ASP 53 HB3 ASP 53 0.869 -5.162 -15.441 435 H MET 54 H MET 54 -1.224 -4.574 -14.261 436 HA MET 54 HA MET 54 -1.713 -1.774 -14.471 437 1HB MET 54 HB2 MET 54 -3.731 -4.025 -14.194 438 2HB MET 54 HB3 MET 54 -4.084 -2.359 -14.629 439 1HG MET 54 HG2 MET 54 -2.607 -4.432 -16.245 440 2HG MET 54 HG3 MET 54 -4.017 -3.480 -16.670 441 1HE MET 54 HE1 MET 54 -1.723 -4.097 -18.617 442 2HE MET 54 HE2 MET 54 -3.208 -3.157 -18.929 443 3HE MET 54 HE3 MET 54 -1.619 -2.509 -19.432 444 H TYR 55 H TYR 55 -2.456 -4.087 -11.796 445 HA TYR 55 HA TYR 55 -3.887 -2.275 -10.182 446 1HB TYR 55 HB2 TYR 55 -3.367 -4.833 -9.904 447 2HB TYR 55 HB3 TYR 55 -1.989 -4.292 -8.963 448 HD1 TYR 55 HD1 TYR 55 -2.586 -2.555 -6.991 449 HD2 TYR 55 HD2 TYR 55 -5.418 -5.197 -8.875 450 HE1 TYR 55 HE1 TYR 55 -4.131 -2.305 -5.069 451 HE2 TYR 55 HE2 TYR 55 -6.868 -5.078 -6.887 452 HH TYR 55 HH TYR 55 -7.106 -4.312 -4.704 453 H GLU 56 H GLU 56 -0.331 -2.914 -10.266 454 HA GLU 56 HA GLU 56 0.264 -0.865 -8.351 455 1HB GLU 56 HB2 GLU 56 2.039 -2.187 -10.429 456 2HB GLU 56 HB3 GLU 56 2.571 -1.290 -9.000 457 1HG GLU 56 HG2 GLU 56 1.032 -3.917 -8.987 458 2HG GLU 56 HG3 GLU 56 2.703 -3.679 -8.552 459 H SER 57 H SER 57 0.050 -0.790 -11.915 460 HA SER 57 HA SER 57 1.218 1.851 -12.125 461 1HB SER 57 HB2 SER 57 -0.605 0.362 -14.056 462 2HB SER 57 HB3 SER 57 0.377 1.792 -14.419 463 HG SER 57 HG SER 57 1.296 -0.784 -13.646 464 H ALA 58 H ALA 58 -2.104 0.645 -11.768 465 HA ALA 58 HA ALA 58 -3.425 2.939 -12.690 466 1HB ALA 58 HB1 ALA 58 -4.469 0.833 -12.760 467 2HB ALA 58 HB2 ALA 58 -4.355 0.629 -10.999 468 3HB ALA 58 HB3 ALA 58 -5.416 1.879 -11.679 469 H ASN 59 H ASN 59 -3.250 4.893 -11.757 470 HA ASN 59 HA ASN 59 -2.901 5.440 -8.983 471 1HB ASN 59 HB2 ASN 59 -3.632 7.750 -9.557 472 2HB ASN 59 HB3 ASN 59 -2.369 7.105 -10.610 473 1HD2 ASN 59 2HD2 ASN 59 -2.943 8.781 -12.173 474 2HD2 ASN 59 1HD2 ASN 59 -4.319 8.504 -13.224 475 H SER 60 H SER 60 -5.874 5.021 -10.868 476 HA SER 60 HA SER 60 -7.465 4.851 -8.327 477 1HB SER 60 HB2 SER 60 -8.068 6.932 -9.358 478 2HB SER 60 HB3 SER 60 -8.156 6.192 -10.968 479 HG SER 60 HG SER 60 -10.261 6.417 -9.965 480 H ARG 61 H ARG 61 -9.223 3.491 -8.412 481 HA ARG 61 HA ARG 61 -9.139 0.957 -9.651 482 1HB ARG 61 HB2 ARG 61 -10.439 1.455 -7.695 483 2HB ARG 61 HB3 ARG 61 -11.388 2.682 -8.549 484 1HG ARG 61 HG2 ARG 61 -12.497 0.972 -9.885 485 2HG ARG 61 HG3 ARG 61 -11.443 -0.297 -9.205 486 1HD ARG 61 HD2 ARG 61 -12.270 0.131 -6.990 487 2HD ARG 61 HD3 ARG 61 -13.206 1.535 -7.545 488 HE ARG 61 HE ARG 61 -13.919 -0.968 -8.864 489 1HH1 ARG 61 1HH1 ARG 61 -14.513 1.010 -5.946 490 2HH1 ARG 61 2HH1 ARG 61 -16.180 0.523 -5.831 491 1HH2 ARG 61 1HH2 ARG 61 -16.028 -1.712 -8.571 492 2HH2 ARG 61 2HH2 ARG 61 -17.048 -1.074 -7.307 493 H ASP 62 H ASP 62 -10.615 4.054 -10.587 494 HA ASP 62 HA ASP 62 -12.086 3.203 -12.878 495 1HB ASP 62 HB2 ASP 62 -10.654 5.858 -12.504 496 2HB ASP 62 HB3 ASP 62 -11.986 5.519 -13.615 497 H GLU 63 H GLU 63 -8.695 4.256 -12.512 498 HA GLU 63 HA GLU 63 -8.023 4.048 -15.308 499 1HB GLU 63 HB2 GLU 63 -6.795 5.494 -13.806 500 2HB GLU 63 HB3 GLU 63 -6.246 4.124 -12.832 501 1HG GLU 63 HG2 GLU 63 -4.833 3.311 -14.556 502 2HG GLU 63 HG3 GLU 63 -5.579 4.318 -15.792 503 H TYR 64 H TYR 64 -7.533 1.930 -12.442 504 HA TYR 64 HA TYR 64 -6.304 -0.280 -13.603 505 1HB TYR 64 HB2 TYR 64 -6.657 -0.123 -11.241 506 2HB TYR 64 HB3 TYR 64 -8.389 -0.073 -11.443 507 HD1 TYR 64 HD1 TYR 64 -5.466 -2.338 -12.050 508 HD2 TYR 64 HD2 TYR 64 -9.678 -1.986 -11.196 509 HE1 TYR 64 HE1 TYR 64 -5.527 -4.719 -11.374 510 HE2 TYR 64 HE2 TYR 64 -9.748 -4.368 -10.555 511 HH TYR 64 HH TYR 64 -6.812 -6.394 -10.395 512 H TYR 65 H TYR 65 -9.880 0.231 -13.420 513 HA TYR 65 HA TYR 65 -10.485 -2.016 -15.101 514 1HB TYR 65 HB2 TYR 65 -11.956 0.468 -14.225 515 2HB TYR 65 HB3 TYR 65 -12.577 -0.444 -15.589 516 HD1 TYR 65 HD1 TYR 65 -12.201 -0.464 -11.953 517 HD2 TYR 65 HD2 TYR 65 -13.136 -2.856 -15.412 518 HE1 TYR 65 HE1 TYR 65 -13.012 -2.277 -10.479 519 HE2 TYR 65 HE2 TYR 65 -13.978 -4.663 -13.935 520 HH TYR 65 HH TYR 65 -14.297 -4.215 -10.460 521 H HIS 66 H HIS 66 -10.138 1.473 -15.943 522 HA HIS 66 HA HIS 66 -10.727 1.207 -18.653 523 1HB HIS 66 HB2 HIS 66 -10.567 3.365 -17.543 524 2HB HIS 66 HB3 HIS 66 -8.816 3.172 -17.369 525 HD2 HIS 66 HD2 HIS 66 -7.294 3.520 -19.537 526 HE1 HIS 66 HE1 HIS 66 -10.381 4.163 -22.389 527 HE2 HIS 66 HE2 HIS 66 -7.858 4.084 -22.026 528 H LEU 67 H LEU 67 -7.354 1.239 -17.288 529 HA LEU 67 HA LEU 67 -6.345 0.640 -19.914 530 1HB LEU 67 HB2 LEU 67 -4.117 0.303 -18.821 531 2HB LEU 67 HB3 LEU 67 -4.843 1.903 -18.863 532 HG LEU 67 HG LEU 67 -5.359 1.876 -16.548 533 1HD1 LEU 67 1HD1 LEU 67 -4.600 -0.102 -15.119 534 2HD1 LEU 67 2HD1 LEU 67 -6.010 -0.409 -16.143 535 3HD1 LEU 67 3HD1 LEU 67 -4.432 -1.022 -16.631 536 1HD2 LEU 67 1HD2 LEU 67 -3.075 2.496 -17.135 537 2HD2 LEU 67 2HD2 LEU 67 -3.159 1.730 -15.538 538 3HD2 LEU 67 3HD2 LEU 67 -2.556 0.798 -16.925 539 H LEU 68 H LEU 68 -7.441 -1.515 -17.334 540 HA LEU 68 HA LEU 68 -6.194 -3.841 -18.531 541 1HB LEU 68 HB2 LEU 68 -8.622 -3.460 -16.747 542 2HB LEU 68 HB3 LEU 68 -8.241 -5.036 -17.442 543 HG LEU 68 HG LEU 68 -6.230 -3.477 -15.784 544 1HD1 LEU 68 1HD1 LEU 68 -8.166 -5.676 -14.925 545 2HD1 LEU 68 2HD1 LEU 68 -6.814 -5.052 -13.960 546 3HD1 LEU 68 3HD1 LEU 68 -8.178 -3.989 -14.367 547 1HD2 LEU 68 1HD2 LEU 68 -5.129 -5.647 -15.565 548 2HD2 LEU 68 2HD2 LEU 68 -6.428 -6.451 -16.454 549 3HD2 LEU 68 3HD2 LEU 68 -5.322 -5.349 -17.290 550 H ALA 69 H ALA 69 -9.483 -2.394 -18.906 551 HA ALA 69 HA ALA 69 -10.312 -4.130 -21.015 552 1HB ALA 69 HB1 ALA 69 -11.830 -2.627 -19.799 553 2HB ALA 69 HB2 ALA 69 -11.040 -1.210 -20.529 554 3HB ALA 69 HB3 ALA 69 -11.928 -2.361 -21.551 555 H GLU 70 H GLU 70 -8.577 -0.979 -21.168 556 HA GLU 70 HA GLU 70 -8.368 -0.910 -23.970 557 1HB GLU 70 HB2 GLU 70 -7.897 0.974 -22.279 558 2HB GLU 70 HB3 GLU 70 -6.269 0.266 -22.137 559 1HG GLU 70 HG2 GLU 70 -6.048 0.460 -24.642 560 2HG GLU 70 HG3 GLU 70 -7.612 1.283 -24.689 561 H LYS 71 H LYS 71 -6.246 -2.563 -21.536 562 HA LYS 71 HA LYS 71 -4.216 -3.258 -23.376 563 1HB LYS 71 HB2 LYS 71 -3.905 -3.313 -21.014 564 2HB LYS 71 HB3 LYS 71 -5.107 -4.592 -20.810 565 1HG LYS 71 HG2 LYS 71 -2.853 -5.460 -20.637 566 2HG LYS 71 HG3 LYS 71 -3.661 -6.159 -22.044 567 1HD LYS 71 HD2 LYS 71 -2.457 -4.680 -23.545 568 2HD LYS 71 HD3 LYS 71 -1.768 -3.778 -22.175 569 1HE LYS 71 HE2 LYS 71 -0.550 -5.831 -21.465 570 2HE LYS 71 HE3 LYS 71 -1.269 -6.718 -22.823 571 1HZ LYS 71 HZ1 LYS 71 0.500 -4.389 -23.061 572 2HZ LYS 71 HZ2 LYS 71 0.931 -5.961 -23.308 573 3HZ LYS 71 HZ3 LYS 71 -0.156 -5.239 -24.314 574 H ILE 72 H ILE 72 -7.160 -5.025 -22.295 575 HA ILE 72 HA ILE 72 -6.848 -7.369 -23.906 576 HB ILE 72 HB ILE 72 -9.324 -5.836 -23.022 577 1HG1 ILE 72 2HG1 ILE 72 -8.171 -8.382 -21.832 578 2HG1 ILE 72 3HG1 ILE 72 -7.825 -6.758 -21.206 579 1HG2 ILE 72 1HG2 ILE 72 -9.900 -7.246 -24.942 580 2HG2 ILE 72 2HG2 ILE 72 -9.192 -8.656 -24.135 581 3HG2 ILE 72 3HG2 ILE 72 -10.630 -7.828 -23.460 582 1HD1 ILE 72 1HD1 ILE 72 -9.605 -7.398 -19.880 583 2HD1 ILE 72 2HD1 ILE 72 -10.370 -6.410 -21.115 584 3HD1 ILE 72 3HD1 ILE 72 -10.486 -8.183 -21.206 585 H TYR 73 H TYR 73 -8.606 -4.348 -24.538 586 HA TYR 73 HA TYR 73 -9.483 -4.744 -27.141 587 1HB TYR 73 HB2 TYR 73 -9.995 -2.940 -25.474 588 2HB TYR 73 HB3 TYR 73 -8.491 -2.151 -25.932 589 HD1 TYR 73 HD1 TYR 73 -9.368 -3.091 -29.095 590 HD2 TYR 73 HD2 TYR 73 -11.131 -0.835 -25.856 591 HE1 TYR 73 HE1 TYR 73 -10.191 -1.458 -30.675 592 HE2 TYR 73 HE2 TYR 73 -11.897 0.854 -27.470 593 HH TYR 73 HH TYR 73 -10.763 0.779 -30.882 594 H LYS 74 H LYS 74 -6.482 -3.148 -26.077 595 HA LYS 74 HA LYS 74 -5.173 -2.797 -28.494 596 1HB LYS 74 HB2 LYS 74 -4.161 -3.372 -25.695 597 2HB LYS 74 HB3 LYS 74 -3.017 -3.324 -27.017 598 1HG LYS 74 HG2 LYS 74 -4.972 -1.047 -26.780 599 2HG LYS 74 HG3 LYS 74 -3.618 -1.121 -25.644 600 1HD LYS 74 HD2 LYS 74 -1.966 -1.120 -27.375 601 2HD LYS 74 HD3 LYS 74 -3.167 -1.447 -28.634 602 1HE LYS 74 HE2 LYS 74 -4.197 0.719 -28.309 603 2HE LYS 74 HE3 LYS 74 -3.048 1.114 -27.007 604 1HZ LYS 74 HZ1 LYS 74 -1.292 0.974 -28.614 605 2HZ LYS 74 HZ2 LYS 74 -2.347 0.555 -29.811 606 3HZ LYS 74 HZ3 LYS 74 -2.427 2.054 -29.128 607 H ILE 75 H ILE 75 -4.774 -5.749 -26.401 608 HA ILE 75 HA ILE 75 -3.147 -7.151 -28.280 609 HB ILE 75 HB ILE 75 -5.235 -8.239 -26.313 610 1HG1 ILE 75 2HG1 ILE 75 -2.193 -8.006 -26.034 611 2HG1 ILE 75 3HG1 ILE 75 -3.329 -6.862 -25.332 612 1HG2 ILE 75 1HG2 ILE 75 -2.932 -9.680 -27.723 613 2HG2 ILE 75 2HG2 ILE 75 -4.004 -10.392 -26.500 614 3HG2 ILE 75 3HG2 ILE 75 -4.655 -9.932 -28.059 615 1HD1 ILE 75 1HD1 ILE 75 -3.072 -9.793 -24.585 616 2HD1 ILE 75 2HD1 ILE 75 -2.747 -8.371 -23.593 617 3HD1 ILE 75 3HD1 ILE 75 -4.414 -8.745 -24.063 618 H GLN 76 H GLN 76 -6.750 -7.488 -27.968 619 HA GLN 76 HA GLN 76 -6.713 -9.170 -30.316 620 1HB GLN 76 HB2 GLN 76 -9.059 -7.688 -29.138 621 2HB GLN 76 HB3 GLN 76 -9.156 -9.058 -30.233 622 1HG GLN 76 HG2 GLN 76 -8.132 -9.084 -27.333 623 2HG GLN 76 HG3 GLN 76 -9.666 -9.697 -27.926 624 1HE2 GLN 76 2HE2 GLN 76 -9.452 -11.887 -27.301 625 2HE2 GLN 76 1HE2 GLN 76 -8.204 -12.915 -27.950 626 H LYS 77 H LYS 77 -6.877 -5.664 -30.053 627 HA LYS 77 HA LYS 77 -7.713 -5.452 -32.844 628 1HB LYS 77 HB2 LYS 77 -8.242 -3.768 -30.949 629 2HB LYS 77 HB3 LYS 77 -6.590 -3.222 -31.156 630 1HG LYS 77 HG2 LYS 77 -7.759 -1.786 -32.541 631 2HG LYS 77 HG3 LYS 77 -7.216 -2.993 -33.684 632 1HD LYS 77 HD2 LYS 77 -9.986 -2.966 -32.389 633 2HD LYS 77 HD3 LYS 77 -9.591 -2.134 -33.895 634 1HE LYS 77 HE2 LYS 77 -8.864 -4.428 -34.818 635 2HE LYS 77 HE3 LYS 77 -9.679 -5.129 -33.400 636 1HZ LYS 77 HZ1 LYS 77 -11.676 -4.090 -34.051 637 2HZ LYS 77 HZ2 LYS 77 -10.960 -3.406 -35.373 638 3HZ LYS 77 HZ3 LYS 77 -11.103 -5.046 -35.263 639 H GLU 78 H GLU 78 -4.780 -4.479 -31.124 640 HA GLU 78 HA GLU 78 -3.114 -3.874 -33.268 641 1HB GLU 78 HB2 GLU 78 -2.420 -5.190 -30.610 642 2HB GLU 78 HB3 GLU 78 -1.234 -4.525 -31.728 643 1HG GLU 78 HG2 GLU 78 -3.440 -2.857 -30.448 644 2HG GLU 78 HG3 GLU 78 -1.773 -2.978 -29.873 645 H LEU 79 H LEU 79 -3.719 -7.094 -31.805 646 HA LEU 79 HA LEU 79 -1.770 -8.472 -33.309 647 1HB LEU 79 HB2 LEU 79 -2.825 -9.114 -31.206 648 2HB LEU 79 HB3 LEU 79 -4.351 -9.443 -32.055 649 HG LEU 79 HG LEU 79 -3.369 -11.389 -33.115 650 1HD1 LEU 79 1HD1 LEU 79 -1.029 -12.100 -32.539 651 2HD1 LEU 79 2HD1 LEU 79 -1.068 -10.652 -33.550 652 3HD1 LEU 79 3HD1 LEU 79 -0.749 -10.507 -31.804 653 1HD2 LEU 79 1HD2 LEU 79 -2.663 -11.098 -30.142 654 2HD2 LEU 79 2HD2 LEU 79 -4.243 -11.544 -30.799 655 3HD2 LEU 79 3HD2 LEU 79 -2.868 -12.651 -30.997 656 H GLU 80 H GLU 80 -4.810 -7.199 -34.356 657 HA GLU 80 HA GLU 80 -4.753 -8.837 -36.861 658 1HB GLU 80 HB2 GLU 80 -7.079 -7.358 -35.554 659 2HB GLU 80 HB3 GLU 80 -7.117 -8.251 -37.085 660 1HG GLU 80 HG2 GLU 80 -6.434 -10.324 -35.821 661 2HG GLU 80 HG3 GLU 80 -6.571 -9.411 -34.310 662 H GLU 81 H GLU 81 -5.737 -5.590 -35.707 663 HA GLU 81 HA GLU 81 -4.653 -4.298 -38.170 664 1HB GLU 81 HB2 GLU 81 -7.390 -4.125 -36.888 665 2HB GLU 81 HB3 GLU 81 -6.765 -2.809 -37.877 666 1HG GLU 81 HG2 GLU 81 -6.909 -5.659 -38.918 667 2HG GLU 81 HG3 GLU 81 -8.248 -4.516 -39.067 668 H LYS 82 H LYS 82 -3.026 -3.081 -37.405 669 HA LYS 82 HA LYS 82 -2.891 -2.071 -34.690 670 1HB LYS 82 HB2 LYS 82 -1.135 -1.622 -37.155 671 2HB LYS 82 HB3 LYS 82 -0.756 -1.121 -35.507 672 1HG LYS 82 HG2 LYS 82 0.495 -3.048 -35.902 673 2HG LYS 82 HG3 LYS 82 -0.789 -3.528 -34.789 674 1HD LYS 82 HD2 LYS 82 -1.957 -4.720 -36.550 675 2HD LYS 82 HD3 LYS 82 -0.908 -4.018 -37.811 676 1HE LYS 82 HE2 LYS 82 0.994 -5.287 -36.965 677 2HE LYS 82 HE3 LYS 82 0.068 -5.815 -35.547 678 1HZ LYS 82 HZ1 LYS 82 -0.553 -6.522 -38.325 679 2HZ LYS 82 HZ2 LYS 82 0.144 -7.506 -37.200 680 3HZ LYS 82 HZ3 LYS 82 -1.405 -6.988 -36.993 681 H ARG 83 H ARG 83 -5.115 -0.970 -35.212 682 HA ARG 83 HA ARG 83 -4.639 1.862 -36.115 683 1HB ARG 83 HB2 ARG 83 -6.851 -0.050 -36.939 684 2HB ARG 83 HB3 ARG 83 -6.872 1.700 -37.253 685 1HG ARG 83 HG2 ARG 83 -4.965 1.568 -38.705 686 2HG ARG 83 HG3 ARG 83 -4.625 -0.104 -38.239 687 1HD ARG 83 HD2 ARG 83 -5.703 -0.101 -40.403 688 2HD ARG 83 HD3 ARG 83 -6.725 -0.874 -39.179 689 HE ARG 83 HE ARG 83 -7.347 1.929 -39.481 690 1HH1 ARG 83 1HH2 ARG 83 -7.840 -1.270 -40.960 691 2HH1 ARG 83 2HH2 ARG 83 -9.285 -0.793 -41.805 692 1HH2 ARG 83 1HH1 ARG 83 -9.254 2.532 -40.571 693 2HH2 ARG 83 2HH1 ARG 83 -10.117 1.391 -41.564 694 H ARG 84 H ARG 84 -7.883 0.949 -35.449 695 HA ARG 84 HA ARG 84 -8.027 2.911 -33.355 696 1HB ARG 84 HB2 ARG 84 -10.043 1.105 -34.752 697 2HB ARG 84 HB3 ARG 84 -10.499 2.296 -33.517 698 1HG ARG 84 HG2 ARG 84 -9.481 4.085 -34.764 699 2HG ARG 84 HG3 ARG 84 -8.843 2.981 -35.966 700 1HD ARG 84 HD2 ARG 84 -11.096 2.425 -36.749 701 2HD ARG 84 HD3 ARG 84 -11.852 3.260 -35.395 702 HE ARG 84 HE ARG 84 -10.881 4.410 -37.873 703 1HH1 ARG 84 1HH2 ARG 84 -11.479 5.131 -34.465 704 2HH1 ARG 84 2HH2 ARG 84 -11.752 6.832 -34.722 705 1HH2 ARG 84 1HH1 ARG 84 -11.225 6.638 -38.225 706 2HH2 ARG 84 2HH1 ARG 84 -11.585 7.703 -36.895 707 H SER 85 H SER 85 -6.455 1.500 -32.192 708 HA SER 85 HA SER 85 -7.556 -0.731 -30.601 709 1HB SER 85 HB2 SER 85 -5.174 -0.803 -29.813 710 2HB SER 85 HB3 SER 85 -5.366 -0.942 -31.568 711 HG SER 85 HG SER 85 -3.793 0.545 -31.240 712 H ARG 86 H ARG 86 -6.058 2.425 -29.882 713 HA ARG 86 HA ARG 86 -6.665 2.491 -27.093 714 1HB ARG 86 HB2 ARG 86 -6.199 4.643 -29.151 715 2HB ARG 86 HB3 ARG 86 -6.549 5.034 -27.464 716 1HG ARG 86 HG2 ARG 86 -4.552 4.308 -26.674 717 2HG ARG 86 HG3 ARG 86 -4.458 2.943 -27.786 718 1HD ARG 86 HD2 ARG 86 -4.014 5.812 -28.612 719 2HD ARG 86 HD3 ARG 86 -2.715 4.670 -28.188 720 HE ARG 86 HE ARG 86 -4.181 3.317 -30.100 721 1HH1 ARG 86 2HH2 ARG 86 -2.393 6.355 -29.996 722 2HH1 ARG 86 1HH2 ARG 86 -2.104 6.411 -31.713 723 1HH2 ARG 86 2HH1 ARG 86 -3.884 3.395 -32.360 724 2HH2 ARG 86 1HH1 ARG 86 -2.938 4.671 -33.072 725 H LEU 87 H LEU 87 -8.400 3.902 -29.845 726 HA LEU 87 HA LEU 87 -11.032 3.557 -28.596 727 1HB LEU 87 HB2 LEU 87 -9.956 6.253 -29.558 728 2HB LEU 87 HB3 LEU 87 -11.652 5.927 -29.188 729 HG LEU 87 HG LEU 87 -9.389 5.806 -27.143 730 1HD1 LEU 87 1HD1 LEU 87 -9.753 8.087 -27.991 731 2HD1 LEU 87 2HD1 LEU 87 -11.493 7.947 -27.662 732 3HD1 LEU 87 3HD1 LEU 87 -10.326 7.930 -26.322 733 1HD2 LEU 87 1HD2 LEU 87 -11.326 4.374 -26.504 734 2HD2 LEU 87 2HD2 LEU 87 -11.251 5.821 -25.495 735 3HD2 LEU 87 3HD2 LEU 87 -12.431 5.727 -26.818 736 1H LYS 88 H1 LYS 88 -18.698 -4.446 -36.325 737 2H LYS 88 H2 LYS 88 -17.444 -5.327 -36.924 738 3H LYS 88 H3 LYS 88 -17.847 -5.442 -35.330 739 HA LYS 88 HA LYS 88 -15.883 -4.153 -35.624 740 1HB LYS 88 HB2 LYS 88 -17.718 -2.344 -37.244 741 2HB LYS 88 HB3 LYS 88 -16.105 -1.887 -36.654 742 1HG LYS 88 HG2 LYS 88 -15.118 -3.783 -37.939 743 2HG LYS 88 HG3 LYS 88 -16.732 -4.188 -38.563 744 1HD LYS 88 HD2 LYS 88 -16.911 -1.921 -39.569 745 2HD LYS 88 HD3 LYS 88 -15.283 -1.532 -38.979 746 1HE LYS 88 HE2 LYS 88 -14.328 -3.359 -40.349 747 2HE LYS 88 HE3 LYS 88 -15.952 -3.821 -40.894 748 1HZ LYS 88 HZ1 LYS 88 -16.159 -1.671 -41.907 749 2HZ LYS 88 HZ2 LYS 88 -14.643 -1.247 -41.418 750 3HZ LYS 88 HZ3 LYS 88 -14.849 -2.475 -42.497 751 H GLU 89 H GLU 89 -18.511 -1.750 -35.435 752 HA GLU 89 HA GLU 89 -17.665 -0.652 -33.068 753 1HB GLU 89 HB2 GLU 89 -19.360 0.247 -34.650 754 2HB GLU 89 HB3 GLU 89 -20.572 -0.856 -33.984 755 1HG GLU 89 HG2 GLU 89 -20.302 0.216 -31.748 756 2HG GLU 89 HG3 GLU 89 -19.074 1.301 -32.422 757 H LYS 90 H LYS 90 -20.177 -3.133 -33.398 758 HA LYS 90 HA LYS 90 -20.688 -3.553 -30.630 759 1HB LYS 90 HB2 LYS 90 -20.925 -5.382 -33.056 760 2HB LYS 90 HB3 LYS 90 -21.521 -5.823 -31.467 761 1HG LYS 90 HG2 LYS 90 -22.463 -3.441 -33.132 762 2HG LYS 90 HG3 LYS 90 -23.313 -4.969 -32.914 763 1HD LYS 90 HD2 LYS 90 -22.791 -2.861 -30.766 764 2HD LYS 90 HD3 LYS 90 -24.322 -3.272 -31.530 765 1HE LYS 90 HE2 LYS 90 -24.168 -5.589 -30.567 766 2HE LYS 90 HE3 LYS 90 -22.697 -5.102 -29.702 767 1HZ LYS 90 HZ1 LYS 90 -25.337 -3.882 -29.370 768 2HZ LYS 90 HZ2 LYS 90 -24.602 -4.926 -28.329 769 3HZ LYS 90 HZ3 LYS 90 -23.958 -3.432 -28.585 770 H ARG 91 H ARG 91 -18.171 -4.858 -32.740 771 HA ARG 91 HA ARG 91 -17.354 -6.969 -30.900 772 1HB ARG 91 HB2 ARG 91 -16.924 -7.247 -33.203 773 2HB ARG 91 HB3 ARG 91 -16.052 -5.734 -33.364 774 1HG ARG 91 HG2 ARG 91 -14.988 -7.894 -31.516 775 2HG ARG 91 HG3 ARG 91 -14.823 -8.016 -33.267 776 1HD ARG 91 HD2 ARG 91 -13.785 -5.652 -33.212 777 2HD ARG 91 HD3 ARG 91 -13.599 -5.895 -31.476 778 HE ARG 91 HE ARG 91 -12.619 -7.908 -33.468 779 1HH1 ARG 91 1HH1 ARG 91 -11.704 -5.630 -30.892 780 2HH1 ARG 91 2HH1 ARG 91 -10.019 -6.060 -30.975 781 1HH2 ARG 91 2HH2 ARG 91 -10.423 -8.368 -33.627 782 2HH2 ARG 91 1HH2 ARG 91 -9.287 -7.692 -32.519 783 H ILE 92 H ILE 92 -16.126 -3.735 -31.764 784 HA ILE 92 HA ILE 92 -14.027 -3.536 -29.882 785 HB ILE 92 HB ILE 92 -15.902 -1.397 -30.984 786 1HG1 ILE 92 2HG1 ILE 92 -14.559 -2.709 -32.708 787 2HG1 ILE 92 3HG1 ILE 92 -14.389 -0.958 -32.701 788 1HG2 ILE 92 1HG2 ILE 92 -14.882 -0.445 -29.053 789 2HG2 ILE 92 2HG2 ILE 92 -13.320 -1.180 -29.429 790 3HG2 ILE 92 3HG2 ILE 92 -13.955 0.155 -30.432 791 1HD1 ILE 92 1HD1 ILE 92 -12.395 -2.861 -31.408 792 2HD1 ILE 92 2HD1 ILE 92 -12.267 -2.182 -33.045 793 3HD1 ILE 92 3HD1 ILE 92 -12.234 -1.098 -31.655 794 H LYS 93 H LYS 93 -17.440 -2.392 -29.571 795 HA LYS 93 HA LYS 93 -17.013 -1.508 -26.908 796 1HB LYS 93 HB2 LYS 93 -19.522 -2.026 -28.531 797 2HB LYS 93 HB3 LYS 93 -19.599 -1.429 -26.866 798 1HG LYS 93 HG2 LYS 93 -17.905 -0.080 -28.999 799 2HG LYS 93 HG3 LYS 93 -19.592 0.354 -28.723 800 1HD LYS 93 HD2 LYS 93 -19.152 1.512 -26.820 801 2HD LYS 93 HD3 LYS 93 -18.036 0.304 -26.194 802 1HE LYS 93 HE2 LYS 93 -16.258 1.137 -27.738 803 2HE LYS 93 HE3 LYS 93 -17.366 2.409 -28.296 804 1HZ LYS 93 HZ1 LYS 93 -17.434 3.219 -26.044 805 2HZ LYS 93 HZ2 LYS 93 -16.422 2.020 -25.536 806 3HZ LYS 93 HZ3 LYS 93 -15.879 3.162 -26.590 807 H GLU 94 H GLU 94 -18.529 -4.582 -28.085 808 HA GLU 94 HA GLU 94 -19.101 -5.553 -25.458 809 1HB GLU 94 HB2 GLU 94 -18.500 -7.014 -28.062 810 2HB GLU 94 HB3 GLU 94 -18.974 -7.822 -26.561 811 1HG GLU 94 HG2 GLU 94 -21.082 -6.590 -26.470 812 2HG GLU 94 HG3 GLU 94 -20.658 -5.664 -27.912 813 H LEU 95 H LEU 95 -16.122 -5.870 -27.506 814 HA LEU 95 HA LEU 95 -14.708 -7.478 -25.681 815 1HB LEU 95 HB2 LEU 95 -14.005 -7.014 -28.007 816 2HB LEU 95 HB3 LEU 95 -13.629 -5.339 -27.568 817 HG LEU 95 HG LEU 95 -11.892 -6.159 -25.979 818 1HD1 LEU 95 1HD1 LEU 95 -12.689 -8.893 -27.094 819 2HD1 LEU 95 2HD1 LEU 95 -11.143 -8.585 -26.290 820 3HD1 LEU 95 3HD1 LEU 95 -12.650 -8.397 -25.385 821 1HD2 LEU 95 1HD2 LEU 95 -11.584 -7.282 -28.786 822 2HD2 LEU 95 2HD2 LEU 95 -11.395 -5.565 -28.354 823 3HD2 LEU 95 3HD2 LEU 95 -10.305 -6.778 -27.654 824 H GLU 96 H GLU 96 -14.798 -3.888 -25.940 825 HA GLU 96 HA GLU 96 -13.114 -3.280 -23.754 826 1HB GLU 96 HB2 GLU 96 -13.839 -1.688 -25.438 827 2HB GLU 96 HB3 GLU 96 -15.508 -1.795 -24.889 828 1HG GLU 96 HG2 GLU 96 -14.814 -0.846 -22.671 829 2HG GLU 96 HG3 GLU 96 -13.162 -0.686 -23.297 830 H LEU 97 H LEU 97 -16.668 -3.713 -23.865 831 HA LEU 97 HA LEU 97 -17.122 -3.164 -21.111 832 1HB LEU 97 HB2 LEU 97 -18.788 -4.448 -23.292 833 2HB LEU 97 HB3 LEU 97 -19.429 -4.189 -21.677 834 HG LEU 97 HG LEU 97 -18.271 -1.903 -23.330 835 1HD1 LEU 97 1HD1 LEU 97 -21.176 -2.800 -23.105 836 2HD1 LEU 97 2HD1 LEU 97 -20.588 -1.338 -23.927 837 3HD1 LEU 97 3HD1 LEU 97 -20.159 -2.938 -24.555 838 1HD2 LEU 97 1HD2 LEU 97 -19.685 -0.526 -21.810 839 2HD2 LEU 97 2HD2 LEU 97 -20.135 -1.987 -20.910 840 3HD2 LEU 97 3HD2 LEU 97 -18.454 -1.415 -20.912 841 H LEU 98 H LEU 98 -16.478 -6.212 -22.798 842 HA LEU 98 HA LEU 98 -17.420 -8.107 -21.073 843 1HB LEU 98 HB2 LEU 98 -16.257 -8.597 -23.160 844 2HB LEU 98 HB3 LEU 98 -14.735 -7.995 -22.494 845 HG LEU 98 HG LEU 98 -14.639 -9.869 -20.905 846 1HD1 LEU 98 1HD1 LEU 98 -17.230 -10.766 -22.255 847 2HD1 LEU 98 2HD1 LEU 98 -16.224 -11.787 -21.210 848 3HD1 LEU 98 3HD1 LEU 98 -17.018 -10.355 -20.537 849 1HD2 LEU 98 1HD2 LEU 98 -15.160 -10.764 -23.772 850 2HD2 LEU 98 2HD2 LEU 98 -13.651 -10.039 -23.183 851 3HD2 LEU 98 3HD2 LEU 98 -14.180 -11.613 -22.558 852 H LEU 99 H LEU 99 -14.404 -6.240 -20.660 853 HA LEU 99 HA LEU 99 -13.694 -7.566 -18.197 854 1HB LEU 99 HB2 LEU 99 -12.197 -6.479 -19.897 855 2HB LEU 99 HB3 LEU 99 -12.660 -4.905 -19.279 856 HG LEU 99 HG LEU 99 -10.485 -5.709 -18.476 857 1HD1 LEU 99 1HD1 LEU 99 -10.670 -5.178 -16.170 858 2HD1 LEU 99 2HD1 LEU 99 -11.833 -4.173 -17.060 859 3HD1 LEU 99 3HD1 LEU 99 -12.389 -5.593 -16.127 860 1HD2 LEU 99 1HD2 LEU 99 -10.171 -7.575 -17.028 861 2HD2 LEU 99 2HD2 LEU 99 -11.911 -7.840 -16.838 862 3HD2 LEU 99 3HD2 LEU 99 -11.131 -8.183 -18.391 863 H MET 100 H MET 100 -15.026 -4.316 -18.972 864 HA MET 100 HA MET 100 -15.333 -3.263 -16.400 865 1HB MET 100 HB2 MET 100 -17.193 -3.024 -18.803 866 2HB MET 100 HB3 MET 100 -17.249 -1.982 -17.382 867 1HG MET 100 HG2 MET 100 -14.795 -2.225 -19.178 868 2HG MET 100 HG3 MET 100 -16.051 -0.997 -19.340 869 1HE MET 100 HE1 MET 100 -12.901 -0.343 -19.017 870 2HE MET 100 HE2 MET 100 -14.192 0.853 -19.298 871 3HE MET 100 HE3 MET 100 -13.052 1.074 -17.951 872 H SER 101 H SER 101 -17.445 -5.516 -18.120 873 HA SER 101 HA SER 101 -19.646 -5.537 -16.415 874 1HB SER 101 HB2 SER 101 -18.527 -7.816 -18.098 875 2HB SER 101 HB3 SER 101 -20.164 -7.735 -17.425 876 HG SER 101 HG SER 101 -19.007 -5.916 -19.279 877 H THR 102 H THR 102 -16.514 -7.049 -15.763 878 HA THR 102 HA THR 102 -17.101 -9.347 -14.498 879 HB THR 102 HB THR 102 -15.077 -7.336 -13.382 880 HG1 THR 102 HG1 THR 102 -14.637 -7.637 -15.506 881 1HG2 THR 102 1HG2 THR 102 -15.250 -10.378 -13.310 882 2HG2 THR 102 2HG2 THR 102 -13.844 -9.430 -12.798 883 3HG2 THR 102 3HG2 THR 102 -15.363 -9.303 -11.899 884 H GLU 103 H GLU 103 -17.475 -6.163 -12.938 885 HA GLU 103 HA GLU 103 -17.841 -7.081 -10.321 886 1HB GLU 103 HB2 GLU 103 -19.061 -4.588 -11.587 887 2HB GLU 103 HB3 GLU 103 -18.830 -4.916 -9.857 888 1HG GLU 103 HG2 GLU 103 -16.339 -5.323 -10.453 889 2HG GLU 103 HG3 GLU 103 -16.686 -4.512 -11.993 890 H ASN 104 H ASN 104 -20.216 -7.017 -12.976 891 HA ASN 104 HA ASN 104 -22.454 -7.472 -11.164 892 1HB ASN 104 HB2 ASN 104 -23.802 -7.322 -12.925 893 2HB ASN 104 HB3 ASN 104 -22.404 -6.595 -13.716 894 1HD2 ASN 104 2HD2 ASN 104 -21.029 -8.169 -15.059 895 2HD2 ASN 104 1HD2 ASN 104 -21.908 -9.460 -15.876 896 H GLU 105 H GLU 105 -20.159 -9.526 -12.913 897 HA GLU 105 HA GLU 105 -21.515 -12.043 -12.375 898 1HB GLU 105 HB2 GLU 105 -18.544 -11.513 -12.843 899 2HB GLU 105 HB3 GLU 105 -19.379 -13.069 -12.916 900 1HG GLU 105 HG2 GLU 105 -20.645 -12.345 -14.883 901 2HG GLU 105 HG3 GLU 105 -19.940 -10.722 -14.781 902 H LEU 106 H LEU 106 -18.830 -10.220 -10.924 903 HA LEU 106 HA LEU 106 -18.184 -11.807 -8.741 904 1HB LEU 106 HB2 LEU 106 -17.114 -9.607 -9.620 905 2HB LEU 106 HB3 LEU 106 -18.330 -8.773 -8.656 906 HG LEU 106 HG LEU 106 -17.401 -10.323 -6.691 907 1HD1 LEU 106 1HD1 LEU 106 -15.053 -10.136 -8.638 908 2HD1 LEU 106 2HD1 LEU 106 -14.964 -10.728 -6.967 909 3HD1 LEU 106 3HD1 LEU 106 -15.876 -11.630 -8.192 910 1HD2 LEU 106 1HD2 LEU 106 -15.964 -7.882 -7.804 911 2HD2 LEU 106 2HD2 LEU 106 -17.340 -7.881 -6.686 912 3HD2 LEU 106 3HD2 LEU 106 -15.776 -8.522 -6.154 913 H LYS 107 H LYS 107 -20.572 -9.140 -8.888 914 HA LYS 107 HA LYS 107 -21.685 -9.416 -6.318 915 1HB LYS 107 HB2 LYS 107 -21.980 -7.471 -7.854 916 2HB LYS 107 HB3 LYS 107 -22.940 -8.475 -8.939 917 1HG LYS 107 HG2 LYS 107 -24.449 -7.131 -7.708 918 2HG LYS 107 HG3 LYS 107 -24.633 -8.778 -7.092 919 1HD LYS 107 HD2 LYS 107 -23.145 -8.172 -5.149 920 2HD LYS 107 HD3 LYS 107 -22.939 -6.558 -5.852 921 1HE LYS 107 HE2 LYS 107 -24.589 -6.476 -4.054 922 2HE LYS 107 HE3 LYS 107 -25.392 -6.152 -5.598 923 1HZ LYS 107 HZ1 LYS 107 -25.356 -8.737 -4.192 924 2HZ LYS 107 HZ2 LYS 107 -26.617 -7.677 -4.223 925 3HZ LYS 107 HZ3 LYS 107 -26.137 -8.424 -5.608 926 H GLY 108 H GLY 108 -22.754 -10.771 -9.467 927 1HA GLY 108 HA2 GLY 108 -25.017 -12.177 -8.722 928 2HA GLY 108 HA3 GLY 108 -23.907 -12.640 -10.023 929 H GLN 109 H GLN 109 -21.602 -13.136 -8.289 930 HA GLN 109 HA GLN 109 -22.520 -15.544 -6.714 931 1HB GLN 109 HB2 GLN 109 -19.892 -15.046 -8.150 932 2HB GLN 109 HB3 GLN 109 -20.341 -16.522 -7.283 933 1HG GLN 109 HG2 GLN 109 -21.795 -15.493 -9.777 934 2HG GLN 109 HG3 GLN 109 -20.498 -16.679 -9.765 935 1HE2 GLN 109 2HE2 GLN 109 -23.831 -16.148 -8.361 936 2HE2 GLN 109 1HE2 GLN 109 -24.193 -17.863 -8.385 937 H GLN 110 H GLN 110 -22.411 -12.806 -5.763 938 HA GLN 110 HA GLN 110 -21.114 -11.338 -4.559 939 1HB GLN 110 HB2 GLN 110 -21.750 -11.696 -2.231 940 2HB GLN 110 HB3 GLN 110 -23.076 -11.992 -3.348 941 1HG GLN 110 HG2 GLN 110 -23.311 -14.152 -2.738 942 2HG GLN 110 HG3 GLN 110 -21.581 -14.481 -2.810 943 1HE2 GLN 110 2HE2 GLN 110 -20.280 -13.314 -0.995 944 2HE2 GLN 110 1HE2 GLN 110 -20.950 -13.532 0.628 945 H ALA 111 H ALA 111 -19.032 -12.403 -5.614 946 HA ALA 111 HA ALA 111 -17.343 -13.853 -3.711 947 1HB ALA 111 HB1 ALA 111 -16.803 -12.809 -6.504 948 2HB ALA 111 HB2 ALA 111 -15.725 -13.872 -5.571 949 3HB ALA 111 HB3 ALA 111 -17.332 -14.442 -6.064 950 H LEU 112 H LEU 112 -17.764 -11.871 -2.235 951 HA LEU 112 HA LEU 112 -16.194 -9.477 -2.705 952 1HB LEU 112 HB2 LEU 112 -17.364 -10.576 -0.119 953 2HB LEU 112 HB3 LEU 112 -16.773 -8.929 -0.376 954 HG LEU 112 HG LEU 112 -19.156 -10.211 -1.807 955 1HD1 LEU 112 1HD1 LEU 112 -19.572 -9.748 0.574 956 2HD1 LEU 112 2HD1 LEU 112 -19.045 -8.065 0.346 957 3HD1 LEU 112 3HD1 LEU 112 -20.504 -8.665 -0.473 958 1HD2 LEU 112 1HD2 LEU 112 -19.602 -7.866 -2.583 959 2HD2 LEU 112 2HD2 LEU 112 -18.010 -7.387 -1.960 960 3HD2 LEU 112 3HD2 LEU 112 -18.143 -8.557 -3.294 Start of MODEL 8 1 1H GLY 1 H1 GLY 1 2.076 -1.908 -10.721 2 2H GLY 1 H2 GLY 1 2.329 -3.455 -10.218 3 3H GLY 1 H3 GLY 1 1.166 -3.134 -11.344 4 1HA GLY 1 HA2 GLY 1 -0.124 -1.892 -9.798 5 2HA GLY 1 HA3 GLY 1 0.157 -3.539 -9.211 6 H VAL 2 H VAL 2 2.337 -3.727 -7.903 7 HA VAL 2 HA VAL 2 2.137 -1.969 -5.645 8 HB VAL 2 HB VAL 2 4.097 -3.216 -4.796 9 1HG1 VAL 2 1HG1 VAL 2 2.978 -5.361 -4.573 10 2HG1 VAL 2 2HG1 VAL 2 1.802 -4.042 -4.462 11 3HG1 VAL 2 3HG1 VAL 2 1.925 -5.001 -5.954 12 1HG2 VAL 2 1HG2 VAL 2 4.983 -5.153 -5.991 13 2HG2 VAL 2 2HG2 VAL 2 4.059 -4.726 -7.440 14 3HG2 VAL 2 3HG2 VAL 2 5.353 -3.657 -6.853 15 H ARG 3 H ARG 3 3.327 -0.195 -5.074 16 HA ARG 3 HA ARG 3 4.564 1.368 -7.127 17 1HB ARG 3 HB2 ARG 3 4.628 1.564 -4.076 18 2HB ARG 3 HB3 ARG 3 5.276 2.806 -5.163 19 1HG ARG 3 HG2 ARG 3 3.136 3.173 -6.138 20 2HG ARG 3 HG3 ARG 3 2.392 1.825 -5.282 21 1HD ARG 3 HD2 ARG 3 1.742 3.747 -4.057 22 2HD ARG 3 HD3 ARG 3 2.986 2.961 -3.098 23 HE ARG 3 HE ARG 3 4.632 4.555 -3.818 24 1HH1 ARG 3 1HH2 ARG 3 1.295 5.564 -4.574 25 2HH1 ARG 3 2HH2 ARG 3 1.707 7.250 -4.621 26 1HH2 ARG 3 1HH1 ARG 3 5.159 6.718 -4.081 27 2HH2 ARG 3 2HH1 ARG 3 3.927 7.917 -4.366 28 H LYS 4 H LYS 4 5.933 -0.056 -4.272 29 HA LYS 4 HA LYS 4 8.643 -0.511 -5.501 30 1HB LYS 4 HB2 LYS 4 7.871 -0.106 -2.604 31 2HB LYS 4 HB3 LYS 4 9.489 -0.483 -3.213 32 1HG LYS 4 HG2 LYS 4 7.988 2.072 -3.971 33 2HG LYS 4 HG3 LYS 4 9.027 1.921 -2.552 34 1HD LYS 4 HD2 LYS 4 10.873 1.130 -4.176 35 2HD LYS 4 HD3 LYS 4 9.827 1.724 -5.478 36 1HE LYS 4 HE2 LYS 4 9.749 3.952 -4.407 37 2HE LYS 4 HE3 LYS 4 10.761 3.368 -3.081 38 1HZ LYS 4 HZ1 LYS 4 12.033 4.550 -4.623 39 2HZ LYS 4 HZ2 LYS 4 12.506 2.971 -4.659 40 3HZ LYS 4 HZ3 LYS 4 11.578 3.581 -5.885 41 H GLY 5 H GLY 5 9.492 -2.721 -4.849 42 1HA GLY 5 HA2 GLY 5 7.738 -4.865 -4.866 43 2HA GLY 5 HA3 GLY 5 9.328 -4.907 -4.089 44 H TRP 6 H TRP 6 9.166 -3.402 -1.967 45 HA TRP 6 HA TRP 6 7.762 -4.917 -0.043 46 1HB TRP 6 HB2 TRP 6 8.639 -3.310 1.546 47 2HB TRP 6 HB3 TRP 6 9.861 -3.825 0.394 48 HD1 TRP 6 HD1 TRP 6 10.743 -1.970 -1.385 49 HE1 TRP 6 HE1 TRP 6 10.783 0.612 -1.265 50 HE3 TRP 6 HE3 TRP 6 7.448 -1.248 2.453 51 HZ2 TRP 6 HZ2 TRP 6 9.318 2.672 0.035 52 HZ3 TRP 6 HZ3 TRP 6 6.962 1.046 3.246 53 HH2 TRP 6 HH2 TRP 6 7.802 3.016 1.974 54 H HIS 7 H HIS 7 6.480 -2.369 -2.020 55 HA HIS 7 HA HIS 7 4.469 -1.337 -0.249 56 1HB HIS 7 HB2 HIS 7 5.162 -0.342 -2.475 57 2HB HIS 7 HB3 HIS 7 4.360 -1.704 -3.257 58 HD2 HIS 7 HD2 HIS 7 3.014 0.724 -0.501 59 HE1 HIS 7 HE1 HIS 7 0.334 0.716 -3.803 60 HE2 HIS 7 HE2 HIS 7 0.760 1.643 -1.468 61 H GLU 8 H GLU 8 4.836 -4.434 -1.970 62 HA GLU 8 HA GLU 8 2.301 -5.465 -1.983 63 1HB GLU 8 HB2 GLU 8 4.407 -6.446 -2.851 64 2HB GLU 8 HB3 GLU 8 5.002 -6.636 -1.195 65 1HG GLU 8 HG2 GLU 8 3.142 -8.164 -0.721 66 2HG GLU 8 HG3 GLU 8 2.559 -7.919 -2.386 67 H HIS 9 H HIS 9 4.456 -4.789 0.761 68 HA HIS 9 HA HIS 9 2.621 -6.101 2.677 69 1HB HIS 9 HB2 HIS 9 5.484 -5.115 2.917 70 2HB HIS 9 HB3 HIS 9 4.530 -5.846 4.206 71 HD2 HIS 9 HD2 HIS 9 6.145 -6.699 0.820 72 HE1 HIS 9 HE1 HIS 9 4.608 -10.366 2.316 73 HE2 HIS 9 HE2 HIS 9 5.871 -9.266 0.393 74 H VAL 10 H VAL 10 4.349 -3.010 2.124 75 HA VAL 10 HA VAL 10 2.896 -1.794 4.366 76 HB VAL 10 HB VAL 10 4.889 -0.593 2.433 77 1HG1 VAL 10 1HG1 VAL 10 3.472 1.225 3.228 78 2HG1 VAL 10 2HG1 VAL 10 3.466 0.574 4.872 79 3HG1 VAL 10 3HG1 VAL 10 4.947 1.250 4.187 80 1HG2 VAL 10 1HG2 VAL 10 6.315 -0.688 4.528 81 2HG2 VAL 10 2HG2 VAL 10 5.012 -1.550 5.341 82 3HG2 VAL 10 3HG2 VAL 10 5.829 -2.289 3.951 83 H THR 11 H THR 11 0.743 -1.940 3.868 84 HA THR 11 HA THR 11 -0.410 -0.927 1.467 85 HB THR 11 HB THR 11 -2.549 -1.121 2.771 86 HG1 THR 11 HG1 THR 11 -2.208 -2.107 4.910 87 1HG2 THR 11 1HG2 THR 11 -1.542 -3.049 1.605 88 2HG2 THR 11 2HG2 THR 11 -0.697 -3.516 3.100 89 3HG2 THR 11 3HG2 THR 11 -2.472 -3.525 3.039 90 H GLN 12 H GLN 12 -1.927 0.758 1.272 91 HA GLN 12 HA GLN 12 -1.096 3.348 1.952 92 1HB GLN 12 HB2 GLN 12 -3.834 2.278 1.198 93 2HB GLN 12 HB3 GLN 12 -3.409 3.979 1.268 94 1HG GLN 12 HG2 GLN 12 -2.283 1.846 -0.603 95 2HG GLN 12 HG3 GLN 12 -3.263 3.241 -1.050 96 1HE2 GLN 12 2HE2 GLN 12 -2.070 5.439 -0.005 97 2HE2 GLN 12 1HE2 GLN 12 -0.390 5.538 -0.493 98 H ASP 13 H ASP 13 -3.417 1.278 3.638 99 HA ASP 13 HA ASP 13 -4.225 3.085 5.657 100 1HB ASP 13 HB2 ASP 13 -5.264 0.883 5.267 101 2HB ASP 13 HB3 ASP 13 -3.779 0.062 5.783 102 H LEU 14 H LEU 14 -1.314 0.909 5.615 103 HA LEU 14 HA LEU 14 -0.410 1.752 8.212 104 1HB LEU 14 HB2 LEU 14 0.400 -0.314 7.236 105 2HB LEU 14 HB3 LEU 14 1.071 0.534 5.853 106 HG LEU 14 HG LEU 14 2.810 1.511 7.116 107 1HD1 LEU 14 1HD1 LEU 14 1.613 0.388 9.689 108 2HD1 LEU 14 2HD1 LEU 14 3.156 1.237 9.522 109 3HD1 LEU 14 3HD1 LEU 14 1.653 2.105 9.248 110 1HD2 LEU 14 1HD2 LEU 14 3.992 -0.470 7.924 111 2HD2 LEU 14 2HD2 LEU 14 2.458 -1.343 8.136 112 3HD2 LEU 14 3HD2 LEU 14 3.016 -0.924 6.517 113 H ARG 15 H ARG 15 0.388 2.830 4.883 114 HA ARG 15 HA ARG 15 2.187 4.903 5.554 115 1HB ARG 15 HB2 ARG 15 0.116 4.906 3.330 116 2HB ARG 15 HB3 ARG 15 1.520 5.964 3.449 117 1HG ARG 15 HG2 ARG 15 3.044 4.012 3.306 118 2HG ARG 15 HG3 ARG 15 1.676 2.913 3.273 119 1HD ARG 15 HD2 ARG 15 2.442 3.195 1.025 120 2HD ARG 15 HD3 ARG 15 0.864 3.970 1.188 121 HE ARG 15 HE ARG 15 2.908 5.894 1.692 122 1HH1 ARG 15 1HH2 ARG 15 1.396 4.113 -0.998 123 2HH1 ARG 15 2HH2 ARG 15 2.157 5.113 -2.211 124 1HH2 ARG 15 1HH1 ARG 15 3.751 7.233 0.133 125 2HH2 ARG 15 2HH1 ARG 15 3.453 6.966 -1.572 126 H SER 16 H SER 16 -1.376 5.029 5.391 127 HA SER 16 HA SER 16 -1.756 7.744 6.081 128 1HB SER 16 HB2 SER 16 -3.547 5.347 6.614 129 2HB SER 16 HB3 SER 16 -4.048 7.028 6.681 130 HG SER 16 HG SER 16 -3.025 5.648 4.414 131 H HIS 17 H HIS 17 -1.644 4.820 8.220 132 HA HIS 17 HA HIS 17 -2.039 6.318 10.613 133 1HB HIS 17 HB2 HIS 17 -2.320 3.875 10.314 134 2HB HIS 17 HB3 HIS 17 -0.556 3.689 10.297 135 HD2 HIS 17 HD2 HIS 17 -1.628 6.218 12.918 136 HE1 HIS 17 HE1 HIS 17 -1.639 2.497 14.957 137 HE2 HIS 17 HE2 HIS 17 -1.781 5.028 15.221 138 H LEU 18 H LEU 18 0.948 5.413 8.808 139 HA LEU 18 HA LEU 18 2.773 6.503 10.729 140 1HB LEU 18 HB2 LEU 18 2.969 5.993 7.756 141 2HB LEU 18 HB3 LEU 18 4.334 6.615 8.702 142 HG LEU 18 HG LEU 18 2.849 4.030 9.351 143 1HD1 LEU 18 1HD1 LEU 18 3.829 3.902 7.112 144 2HD1 LEU 18 2HD1 LEU 18 5.402 4.441 7.755 145 3HD1 LEU 18 3HD1 LEU 18 4.729 2.870 8.241 146 1HD2 LEU 18 1HD2 LEU 18 4.899 3.448 10.576 147 2HD2 LEU 18 2HD2 LEU 18 5.594 5.038 10.189 148 3HD2 LEU 18 3HD2 LEU 18 4.180 4.910 11.255 149 H VAL 19 H VAL 19 1.257 8.048 7.844 150 HA VAL 19 HA VAL 19 2.208 10.668 8.249 151 HB VAL 19 HB VAL 19 -0.393 9.586 7.155 152 1HG1 VAL 19 1HG1 VAL 19 -0.958 11.738 6.263 153 2HG1 VAL 19 2HG1 VAL 19 -0.906 11.874 8.017 154 3HG1 VAL 19 3HG1 VAL 19 0.444 12.495 7.036 155 1HG2 VAL 19 1HG2 VAL 19 2.028 10.925 5.857 156 2HG2 VAL 19 2HG2 VAL 19 1.643 9.194 5.841 157 3HG2 VAL 19 3HG2 VAL 19 0.581 10.325 5.012 158 H HIS 20 H HIS 20 -0.727 9.157 9.711 159 HA HIS 20 HA HIS 20 -1.394 11.283 11.433 160 1HB HIS 20 HB2 HIS 20 -2.922 9.517 11.194 161 2HB HIS 20 HB3 HIS 20 -1.751 8.297 11.639 162 HD2 HIS 20 HD2 HIS 20 -4.612 9.946 13.050 163 HE1 HIS 20 HE1 HIS 20 -2.421 8.554 16.418 164 HE2 HIS 20 HE2 HIS 20 -4.659 9.490 15.641 165 H LYS 21 H LYS 21 0.953 8.607 12.072 166 HA LYS 21 HA LYS 21 1.737 9.466 14.656 167 1HB LYS 21 HB2 LYS 21 3.381 8.024 12.553 168 2HB LYS 21 HB3 LYS 21 3.901 8.319 14.200 169 1HG LYS 21 HG2 LYS 21 1.537 6.585 13.404 170 2HG LYS 21 HG3 LYS 21 3.143 6.059 13.876 171 1HD LYS 21 HD2 LYS 21 2.793 7.278 16.111 172 2HD LYS 21 HD3 LYS 21 1.101 7.493 15.622 173 1HE LYS 21 HE2 LYS 21 1.258 5.546 17.051 174 2HE LYS 21 HE3 LYS 21 0.874 5.007 15.408 175 1HZ LYS 21 HZ1 LYS 21 3.135 4.365 15.120 176 2HZ LYS 21 HZ2 LYS 21 3.573 5.002 16.572 177 3HZ LYS 21 HZ3 LYS 21 2.581 3.697 16.520 178 H LEU 22 H LEU 22 3.100 10.397 11.444 179 HA LEU 22 HA LEU 22 5.127 12.137 12.391 180 1HB LEU 22 HB2 LEU 22 3.341 12.486 9.959 181 2HB LEU 22 HB3 LEU 22 4.781 13.428 10.291 182 HG LEU 22 HG LEU 22 4.716 10.440 9.721 183 1HD1 LEU 22 1HD1 LEU 22 5.794 11.167 7.587 184 2HD1 LEU 22 2HD1 LEU 22 4.153 11.802 7.762 185 3HD1 LEU 22 3HD1 LEU 22 5.542 12.855 8.084 186 1HD2 LEU 22 1HD2 LEU 22 7.210 10.738 9.532 187 2HD2 LEU 22 2HD2 LEU 22 7.042 12.419 10.072 188 3HD2 LEU 22 3HD2 LEU 22 6.639 11.080 11.161 189 H VAL 23 H VAL 23 1.671 12.884 11.670 190 HA VAL 23 HA VAL 23 1.805 15.552 12.627 191 HB VAL 23 HB VAL 23 -0.618 13.733 12.736 192 1HG1 VAL 23 1HG1 VAL 23 -0.857 15.759 14.179 193 2HG1 VAL 23 2HG1 VAL 23 -0.378 16.783 12.816 194 3HG1 VAL 23 3HG1 VAL 23 -1.887 15.857 12.753 195 1HG2 VAL 23 1HG2 VAL 23 -1.255 14.877 10.631 196 2HG2 VAL 23 2HG2 VAL 23 0.316 15.705 10.602 197 3HG2 VAL 23 3HG2 VAL 23 0.222 13.941 10.426 198 H GLN 24 H GLN 24 0.939 12.549 14.478 199 HA GLN 24 HA GLN 24 0.441 13.820 16.948 200 1HB GLN 24 HB2 GLN 24 1.734 11.077 16.565 201 2HB GLN 24 HB3 GLN 24 0.967 11.699 18.021 202 1HG GLN 24 HG2 GLN 24 -0.293 10.595 15.556 203 2HG GLN 24 HG3 GLN 24 -0.723 10.400 17.240 204 1HE2 GLN 24 2HE2 GLN 24 -1.264 12.246 14.337 205 2HE2 GLN 24 1HE2 GLN 24 -2.390 13.429 15.043 206 H ALA 25 H ALA 25 3.549 12.543 15.745 207 HA ALA 25 HA ALA 25 4.962 13.034 18.154 208 1HB ALA 25 HB1 ALA 25 6.016 12.804 15.297 209 2HB ALA 25 HB2 ALA 25 6.972 12.633 16.788 210 3HB ALA 25 HB3 ALA 25 5.704 11.451 16.409 211 H ILE 26 H ILE 26 4.475 15.113 15.279 212 HA ILE 26 HA ILE 26 6.139 17.272 16.314 213 HB ILE 26 HB ILE 26 3.941 17.203 14.201 214 1HG1 ILE 26 2HG1 ILE 26 6.957 17.194 13.813 215 2HG1 ILE 26 3HG1 ILE 26 5.990 15.722 13.786 216 1HG2 ILE 26 1HG2 ILE 26 4.317 19.505 15.037 217 2HG2 ILE 26 2HG2 ILE 26 6.062 19.324 14.774 218 3HG2 ILE 26 3HG2 ILE 26 4.934 19.340 13.403 219 1HD1 ILE 26 1HD1 ILE 26 5.733 18.017 11.816 220 2HD1 ILE 26 2HD1 ILE 26 6.314 16.374 11.523 221 3HD1 ILE 26 3HD1 ILE 26 4.608 16.640 11.930 222 H PHE 27 H PHE 27 2.675 16.606 16.098 223 HA PHE 27 HA PHE 27 1.960 18.642 18.127 224 1HB PHE 27 HB2 PHE 27 1.837 19.413 15.743 225 2HB PHE 27 HB3 PHE 27 0.612 18.196 15.446 226 HD1 PHE 27 HD1 PHE 27 1.156 21.583 16.239 227 HD2 PHE 27 HD2 PHE 27 -1.544 18.303 17.067 228 HE1 PHE 27 HE1 PHE 27 -0.614 23.176 16.873 229 HE2 PHE 27 HE2 PHE 27 -3.268 19.888 17.736 230 HZ PHE 27 HZ PHE 27 -2.822 22.347 17.677 231 HA PRO 28 HA PRO 28 -0.036 14.597 19.115 232 1HB PRO 28 HB2 PRO 28 -0.786 15.104 21.679 233 2HB PRO 28 HB3 PRO 28 0.895 14.732 21.207 234 1HG PRO 28 HG2 PRO 28 -0.334 17.469 21.631 235 2HG PRO 28 HG3 PRO 28 1.183 16.839 22.320 236 1HD PRO 28 HD2 PRO 28 1.158 18.384 20.112 237 2HD PRO 28 HD3 PRO 28 2.294 17.002 20.171 238 H THR 29 H THR 29 -1.936 14.426 17.931 239 HA THR 29 HA THR 29 -3.777 16.621 17.834 240 HB THR 29 HB THR 29 -4.153 13.810 16.765 241 HG1 THR 29 HG1 THR 29 -2.226 15.538 16.176 242 1HG2 THR 29 1HG2 THR 29 -5.488 14.921 15.049 243 2HG2 THR 29 2HG2 THR 29 -6.148 15.249 16.649 244 3HG2 THR 29 3HG2 THR 29 -5.204 16.500 15.805 245 HA PRO 30 HA PRO 30 -6.091 15.220 21.403 246 1HB PRO 30 HB2 PRO 30 -8.464 16.605 21.100 247 2HB PRO 30 HB3 PRO 30 -6.926 17.329 21.649 248 1HG PRO 30 HG2 PRO 30 -8.077 17.334 18.855 249 2HG PRO 30 HG3 PRO 30 -7.391 18.711 19.762 250 1HD PRO 30 HD2 PRO 30 -5.920 17.374 17.939 251 2HD PRO 30 HD3 PRO 30 -5.168 17.905 19.471 252 H ASP 31 H ASP 31 -7.776 15.105 18.205 253 HA ASP 31 HA ASP 31 -8.659 12.371 18.805 254 1HB ASP 31 HB2 ASP 31 -10.477 13.879 19.649 255 2HB ASP 31 HB3 ASP 31 -10.607 14.598 18.043 256 HA PRO 32 HA PRO 32 -7.468 12.014 14.458 257 1HB PRO 32 HB2 PRO 32 -9.959 10.278 14.426 258 2HB PRO 32 HB3 PRO 32 -8.415 10.017 13.559 259 1HG PRO 32 HG2 PRO 32 -8.829 8.739 15.903 260 2HG PRO 32 HG3 PRO 32 -7.267 9.567 15.633 261 1HD PRO 32 HD2 PRO 32 -9.637 10.524 17.237 262 2HD PRO 32 HD3 PRO 32 -7.893 10.625 17.618 263 H ALA 33 H ALA 33 -10.991 12.541 15.164 264 HA ALA 33 HA ALA 33 -11.708 13.594 12.651 265 1HB ALA 33 HB1 ALA 33 -13.319 12.973 14.415 266 2HB ALA 33 HB2 ALA 33 -12.780 14.353 15.400 267 3HB ALA 33 HB3 ALA 33 -13.587 14.632 13.843 268 H ALA 34 H ALA 34 -9.992 15.122 15.339 269 HA ALA 34 HA ALA 34 -10.382 17.844 14.582 270 1HB ALA 34 HB1 ALA 34 -9.592 17.007 16.833 271 2HB ALA 34 HB2 ALA 34 -8.006 16.702 16.089 272 3HB ALA 34 HB3 ALA 34 -8.646 18.348 16.149 273 H LEU 35 H LEU 35 -8.372 15.322 13.167 274 HA LEU 35 HA LEU 35 -6.374 16.948 11.952 275 1HB LEU 35 HB2 LEU 35 -7.726 14.419 10.947 276 2HB LEU 35 HB3 LEU 35 -6.262 15.112 10.261 277 HG LEU 35 HG LEU 35 -6.478 14.156 13.149 278 1HD1 LEU 35 1HD1 LEU 35 -5.178 12.216 12.424 279 2HD1 LEU 35 2HD1 LEU 35 -6.730 12.280 11.571 280 3HD1 LEU 35 3HD1 LEU 35 -5.238 12.774 10.739 281 1HD2 LEU 35 1HD2 LEU 35 -4.686 15.841 12.835 282 2HD2 LEU 35 2HD2 LEU 35 -4.001 14.234 13.083 283 3HD2 LEU 35 3HD2 LEU 35 -4.062 14.920 11.452 284 H LYS 36 H LYS 36 -9.834 16.656 11.254 285 HA LYS 36 HA LYS 36 -9.689 17.713 8.578 286 1HB LYS 36 HB2 LYS 36 -11.957 17.636 10.590 287 2HB LYS 36 HB3 LYS 36 -12.100 18.010 8.871 288 1HG LYS 36 HG2 LYS 36 -11.256 15.764 8.275 289 2HG LYS 36 HG3 LYS 36 -11.132 15.361 9.998 290 1HD LYS 36 HD2 LYS 36 -13.576 15.724 10.272 291 2HD LYS 36 HD3 LYS 36 -13.702 16.163 8.561 292 1HE LYS 36 HE2 LYS 36 -14.433 13.864 8.847 293 2HE LYS 36 HE3 LYS 36 -12.929 13.883 7.913 294 1HZ LYS 36 HZ1 LYS 36 -11.762 13.320 9.934 295 2HZ LYS 36 HZ2 LYS 36 -13.174 13.306 10.786 296 3HZ LYS 36 HZ3 LYS 36 -12.919 12.199 9.593 297 H ASP 37 H ASP 37 -9.197 19.241 11.666 298 HA ASP 37 HA ASP 37 -10.412 21.770 11.133 299 1HB ASP 37 HB2 ASP 37 -9.666 20.950 13.366 300 2HB ASP 37 HB3 ASP 37 -7.983 21.125 12.852 301 H ARG 38 H ARG 38 -9.730 23.473 9.908 302 HA ARG 38 HA ARG 38 -7.896 23.200 7.848 303 1HB ARG 38 HB2 ARG 38 -8.970 25.726 9.159 304 2HB ARG 38 HB3 ARG 38 -8.059 25.689 7.639 305 1HG ARG 38 HG2 ARG 38 -9.752 24.164 6.645 306 2HG ARG 38 HG3 ARG 38 -10.722 24.271 8.123 307 1HD ARG 38 HD2 ARG 38 -10.876 26.771 7.791 308 2HD ARG 38 HD3 ARG 38 -9.913 26.599 6.326 309 HE ARG 38 HE ARG 38 -11.688 25.794 5.155 310 1HH1 ARG 38 1HH2 ARG 38 -12.552 25.754 8.581 311 2HH1 ARG 38 2HH2 ARG 38 -14.259 25.545 8.292 312 1HH2 ARG 38 1HH1 ARG 38 -13.901 25.506 4.764 313 2HH2 ARG 38 2HH1 ARG 38 -15.036 25.398 6.081 314 H ARG 39 H ARG 39 -7.139 24.114 11.164 315 HA ARG 39 HA ARG 39 -4.485 25.165 10.572 316 1HB ARG 39 HB2 ARG 39 -5.718 24.041 13.113 317 2HB ARG 39 HB3 ARG 39 -4.131 24.807 13.008 318 1HG ARG 39 HG2 ARG 39 -5.051 26.925 12.367 319 2HG ARG 39 HG3 ARG 39 -6.674 26.261 12.137 320 1HD ARG 39 HD2 ARG 39 -5.237 26.237 14.817 321 2HD ARG 39 HD3 ARG 39 -6.345 27.524 14.288 322 HE ARG 39 HE ARG 39 -7.678 25.065 13.922 323 1HH1 ARG 39 1HH2 ARG 39 -6.479 27.061 16.580 324 2HH1 ARG 39 2HH2 ARG 39 -7.714 26.563 17.705 325 1HH2 ARG 39 1HH1 ARG 39 -9.309 24.410 15.372 326 2HH2 ARG 39 2HH1 ARG 39 -9.359 25.035 17.000 327 H MET 40 H MET 40 -5.856 21.969 11.517 328 HA MET 40 HA MET 40 -3.273 20.682 11.788 329 1HB MET 40 HB2 MET 40 -6.138 19.643 11.597 330 2HB MET 40 HB3 MET 40 -4.728 18.622 11.846 331 1HG MET 40 HG2 MET 40 -5.715 20.822 13.699 332 2HG MET 40 HG3 MET 40 -5.814 19.083 13.974 333 1HE MET 40 HE1 MET 40 -1.982 18.220 14.546 334 2HE MET 40 HE2 MET 40 -3.612 17.540 14.350 335 3HE MET 40 HE3 MET 40 -2.763 18.257 12.957 336 H GLU 41 H GLU 41 -5.773 20.899 9.304 337 HA GLU 41 HA GLU 41 -5.063 19.167 7.375 338 1HB GLU 41 HB2 GLU 41 -6.874 20.840 7.282 339 2HB GLU 41 HB3 GLU 41 -5.689 22.109 6.912 340 1HG GLU 41 HG2 GLU 41 -5.093 20.915 4.807 341 2HG GLU 41 HG3 GLU 41 -6.258 19.640 5.207 342 H ASN 42 H ASN 42 -3.261 22.132 8.083 343 HA ASN 42 HA ASN 42 -1.423 22.016 5.888 344 1HB ASN 42 HB2 ASN 42 -0.970 23.218 8.650 345 2HB ASN 42 HB3 ASN 42 -0.086 23.585 7.175 346 1HD2 ASN 42 2HD2 ASN 42 -2.873 24.186 9.090 347 2HD2 ASN 42 1HD2 ASN 42 -3.859 25.080 7.956 348 H LEU 43 H LEU 43 -1.187 20.844 9.245 349 HA LEU 43 HA LEU 43 1.495 19.759 8.989 350 1HB LEU 43 HB2 LEU 43 -0.714 19.159 11.015 351 2HB LEU 43 HB3 LEU 43 0.896 18.445 11.011 352 HG LEU 43 HG LEU 43 1.834 20.851 11.083 353 1HD1 LEU 43 1HD1 LEU 43 0.334 22.457 12.290 354 2HD1 LEU 43 2HD1 LEU 43 -0.230 22.139 10.652 355 3HD1 LEU 43 3HD1 LEU 43 -1.027 21.351 12.033 356 1HD2 LEU 43 1HD2 LEU 43 0.311 19.672 13.438 357 2HD2 LEU 43 2HD2 LEU 43 1.965 19.245 12.930 358 3HD2 LEU 43 3HD2 LEU 43 1.619 20.870 13.548 359 H VAL 44 H VAL 44 -1.811 18.448 8.681 360 HA VAL 44 HA VAL 44 -1.136 15.752 8.098 361 HB VAL 44 HB VAL 44 -3.438 17.498 7.192 362 1HG1 VAL 44 1HG1 VAL 44 -4.615 15.338 6.697 363 2HG1 VAL 44 2HG1 VAL 44 -3.290 15.673 5.577 364 3HG1 VAL 44 3HG1 VAL 44 -3.066 14.491 6.890 365 1HG2 VAL 44 1HG2 VAL 44 -3.228 17.010 9.670 366 2HG2 VAL 44 2HG2 VAL 44 -4.692 16.360 8.922 367 3HG2 VAL 44 3HG2 VAL 44 -3.321 15.284 9.269 368 H ALA 45 H ALA 45 -1.612 18.520 5.817 369 HA ALA 45 HA ALA 45 -0.920 17.148 3.466 370 1HB ALA 45 HB1 ALA 45 -0.487 19.374 2.517 371 2HB ALA 45 HB2 ALA 45 -1.970 19.363 3.492 372 3HB ALA 45 HB3 ALA 45 -0.484 20.088 4.142 373 H TYR 46 H TYR 46 1.240 19.071 5.637 374 HA TYR 46 HA TYR 46 3.651 18.578 4.245 375 1HB TYR 46 HB2 TYR 46 3.465 20.197 6.080 376 2HB TYR 46 HB3 TYR 46 3.181 18.908 7.245 377 HD1 TYR 46 HD1 TYR 46 5.023 17.586 8.135 378 HD2 TYR 46 HD2 TYR 46 5.694 20.350 4.893 379 HE1 TYR 46 HE1 TYR 46 7.459 17.134 8.246 380 HE2 TYR 46 HE2 TYR 46 8.126 19.943 5.048 381 HH TYR 46 HH TYR 46 9.789 18.795 6.099 382 H ALA 47 H ALA 47 2.193 16.690 6.932 383 HA ALA 47 HA ALA 47 4.162 14.691 7.065 384 1HB ALA 47 HB1 ALA 47 1.182 14.618 7.717 385 2HB ALA 47 HB2 ALA 47 2.337 13.354 8.168 386 3HB ALA 47 HB3 ALA 47 2.517 14.994 8.822 387 H LYS 48 H LYS 48 1.128 14.734 5.107 388 HA LYS 48 HA LYS 48 1.480 12.211 3.842 389 1HB LYS 48 HB2 LYS 48 0.127 14.785 2.951 390 2HB LYS 48 HB3 LYS 48 0.150 13.319 1.958 391 1HG LYS 48 HG2 LYS 48 -0.929 12.035 3.756 392 2HG LYS 48 HG3 LYS 48 -0.970 13.490 4.780 393 1HD LYS 48 HD2 LYS 48 -2.401 14.640 3.158 394 2HD LYS 48 HD3 LYS 48 -2.311 13.257 2.046 395 1HE LYS 48 HE2 LYS 48 -3.454 11.811 3.661 396 2HE LYS 48 HE3 LYS 48 -3.453 13.101 4.875 397 1HZ LYS 48 HZ1 LYS 48 -4.854 13.187 2.297 398 2HZ LYS 48 HZ2 LYS 48 -5.544 12.936 3.773 399 3HZ LYS 48 HZ3 LYS 48 -4.845 14.388 3.427 400 H LYS 49 H LYS 49 2.506 15.478 2.748 401 HA LYS 49 HA LYS 49 3.744 14.726 0.352 402 1HB LYS 49 HB2 LYS 49 3.225 17.027 1.196 403 2HB LYS 49 HB3 LYS 49 4.631 16.933 2.246 404 1HG LYS 49 HG2 LYS 49 6.089 16.633 0.299 405 2HG LYS 49 HG3 LYS 49 4.688 16.679 -0.794 406 1HD LYS 49 HD2 LYS 49 4.149 18.971 -0.033 407 2HD LYS 49 HD3 LYS 49 5.530 18.953 1.074 408 1HE LYS 49 HE2 LYS 49 5.711 18.675 -1.970 409 2HE LYS 49 HE3 LYS 49 5.981 20.174 -1.069 410 1HZ LYS 49 HZ1 LYS 49 8.025 19.094 -1.568 411 2HZ LYS 49 HZ2 LYS 49 7.792 19.108 0.062 412 3HZ LYS 49 HZ3 LYS 49 7.563 17.718 -0.792 413 H VAL 50 H VAL 50 5.256 15.201 3.542 414 HA VAL 50 HA VAL 50 7.807 14.308 2.708 415 HB VAL 50 HB VAL 50 6.864 15.573 4.955 416 1HG1 VAL 50 1HG1 VAL 50 7.935 12.907 5.957 417 2HG1 VAL 50 2HG1 VAL 50 7.562 14.347 6.917 418 3HG1 VAL 50 3HG1 VAL 50 6.252 13.484 6.085 419 1HG2 VAL 50 1HG2 VAL 50 9.206 15.601 5.666 420 2HG2 VAL 50 2HG2 VAL 50 9.579 14.280 4.536 421 3HG2 VAL 50 3HG2 VAL 50 9.051 15.866 3.922 422 H GLU 51 H GLU 51 5.118 12.424 4.283 423 HA GLU 51 HA GLU 51 6.499 9.986 4.390 424 1HB GLU 51 HB2 GLU 51 4.413 10.361 5.513 425 2HB GLU 51 HB3 GLU 51 3.557 10.586 3.981 426 1HG GLU 51 HG2 GLU 51 5.089 8.028 4.526 427 2HG GLU 51 HG3 GLU 51 3.502 8.238 5.241 428 H GLY 52 H GLY 52 4.638 11.425 1.665 429 1HA GLY 52 HA2 GLY 52 4.975 9.390 -0.251 430 2HA GLY 52 HA3 GLY 52 4.894 11.128 -0.594 431 H ASP 53 H ASP 53 7.101 12.229 0.378 432 HA ASP 53 HA ASP 53 9.177 11.625 -1.403 433 1HB ASP 53 HB2 ASP 53 8.965 13.739 -0.138 434 2HB ASP 53 HB3 ASP 53 9.445 12.897 1.346 435 H MET 54 H MET 54 8.865 10.584 2.022 436 HA MET 54 HA MET 54 11.238 8.998 2.044 437 1HB MET 54 HB2 MET 54 8.705 8.763 3.719 438 2HB MET 54 HB3 MET 54 10.200 7.884 4.014 439 1HG MET 54 HG2 MET 54 9.757 10.880 4.180 440 2HG MET 54 HG3 MET 54 10.215 9.768 5.460 441 1HE MET 54 HE1 MET 54 11.506 12.560 5.029 442 2HE MET 54 HE2 MET 54 11.830 11.357 6.313 443 3HE MET 54 HE3 MET 54 13.190 12.109 5.428 444 H TYR 55 H TYR 55 7.861 8.145 1.192 445 HA TYR 55 HA TYR 55 8.285 5.373 0.917 446 1HB TYR 55 HB2 TYR 55 6.092 6.732 0.859 447 2HB TYR 55 HB3 TYR 55 6.388 6.947 -0.862 448 HD1 TYR 55 HD1 TYR 55 6.609 4.811 -2.324 449 HD2 TYR 55 HD2 TYR 55 5.217 4.731 1.753 450 HE1 TYR 55 HE1 TYR 55 6.286 2.356 -2.461 451 HE2 TYR 55 HE2 TYR 55 4.920 2.291 1.611 452 HH TYR 55 HH TYR 55 5.755 0.459 0.494 453 H GLU 56 H GLU 56 8.553 7.990 -1.561 454 HA GLU 56 HA GLU 56 9.454 6.268 -3.647 455 1HB GLU 56 HB2 GLU 56 9.897 9.238 -3.183 456 2HB GLU 56 HB3 GLU 56 10.175 8.382 -4.704 457 1HG GLU 56 HG2 GLU 56 7.482 8.646 -3.308 458 2HG GLU 56 HG3 GLU 56 8.008 9.533 -4.725 459 H SER 57 H SER 57 11.283 8.122 -1.180 460 HA SER 57 HA SER 57 13.878 7.460 -2.177 461 1HB SER 57 HB2 SER 57 13.021 7.985 0.707 462 2HB SER 57 HB3 SER 57 14.662 8.091 0.050 463 HG SER 57 HG SER 57 12.412 9.702 -0.629 464 H ALA 58 H ALA 58 11.721 5.776 0.104 465 HA ALA 58 HA ALA 58 13.654 4.027 1.137 466 1HB ALA 58 HB1 ALA 58 11.775 4.551 2.419 467 2HB ALA 58 HB2 ALA 58 10.645 3.987 1.181 468 3HB ALA 58 HB3 ALA 58 11.673 2.816 2.045 469 H ASN 59 H ASN 59 14.753 2.616 -0.038 470 HA ASN 59 HA ASN 59 13.626 1.111 -2.270 471 1HB ASN 59 HB2 ASN 59 16.286 1.104 -0.822 472 2HB ASN 59 HB3 ASN 59 15.866 -0.095 -2.043 473 1HD2 ASN 59 2HD2 ASN 59 15.318 3.595 -1.955 474 2HD2 ASN 59 1HD2 ASN 59 16.109 3.764 -3.495 475 H SER 60 H SER 60 13.544 0.737 1.192 476 HA SER 60 HA SER 60 12.104 -1.768 0.849 477 1HB SER 60 HB2 SER 60 14.351 -2.651 1.116 478 2HB SER 60 HB3 SER 60 14.572 -1.688 2.590 479 HG SER 60 HG SER 60 13.869 -3.667 3.283 480 H ARG 61 H ARG 61 11.114 -2.418 2.874 481 HA ARG 61 HA ARG 61 9.611 -0.372 4.184 482 1HB ARG 61 HB2 ARG 61 8.725 -2.587 3.975 483 2HB ARG 61 HB3 ARG 61 10.137 -3.310 4.762 484 1HG ARG 61 HG2 ARG 61 9.538 -2.333 6.899 485 2HG ARG 61 HG3 ARG 61 8.201 -1.428 6.174 486 1HD ARG 61 HD2 ARG 61 6.912 -3.304 5.831 487 2HD ARG 61 HD3 ARG 61 8.259 -4.431 5.815 488 HE ARG 61 HE ARG 61 6.733 -3.621 8.122 489 1HH1 ARG 61 1HH2 ARG 61 9.986 -4.538 7.101 490 2HH1 ARG 61 2HH2 ARG 61 10.422 -5.263 8.626 491 1HH2 ARG 61 1HH1 ARG 61 7.282 -4.610 10.132 492 2HH2 ARG 61 2HH1 ARG 61 8.890 -5.219 10.392 493 H ASP 62 H ASP 62 12.376 -2.367 5.297 494 HA ASP 62 HA ASP 62 12.728 -1.286 7.844 495 1HB ASP 62 HB2 ASP 62 15.161 -1.889 7.507 496 2HB ASP 62 HB3 ASP 62 13.983 -3.177 7.274 497 H GLU 63 H GLU 63 14.299 -0.080 4.832 498 HA GLU 63 HA GLU 63 15.359 2.276 5.911 499 1HB GLU 63 HB2 GLU 63 15.967 1.468 3.721 500 2HB GLU 63 HB3 GLU 63 14.334 1.764 3.095 501 1HG GLU 63 HG2 GLU 63 14.586 4.159 3.353 502 2HG GLU 63 HG3 GLU 63 16.112 3.973 4.227 503 H TYR 64 H TYR 64 12.105 1.812 4.387 504 HA TYR 64 HA TYR 64 11.160 4.411 4.633 505 1HB TYR 64 HB2 TYR 64 9.992 2.592 3.485 506 2HB TYR 64 HB3 TYR 64 9.611 1.839 5.017 507 HD1 TYR 64 HD1 TYR 64 7.437 2.091 5.740 508 HD2 TYR 64 HD2 TYR 64 9.250 5.247 3.417 509 HE1 TYR 64 HE1 TYR 64 5.243 3.193 5.499 510 HE2 TYR 64 HE2 TYR 64 7.063 6.400 3.284 511 HH TYR 64 HH TYR 64 4.758 6.104 3.573 512 H TYR 65 H TYR 65 10.841 1.848 7.145 513 HA TYR 65 HA TYR 65 9.738 3.600 9.137 514 1HB TYR 65 HB2 TYR 65 11.204 0.955 9.205 515 2HB TYR 65 HB3 TYR 65 10.957 1.858 10.693 516 HD1 TYR 65 HD1 TYR 65 8.622 2.663 11.320 517 HD2 TYR 65 HD2 TYR 65 9.370 -0.419 8.405 518 HE1 TYR 65 HE1 TYR 65 6.332 1.788 11.656 519 HE2 TYR 65 HE2 TYR 65 7.069 -1.267 8.715 520 HH TYR 65 HH TYR 65 5.187 -1.141 9.997 521 H HIS 66 H HIS 66 13.155 2.654 8.483 522 HA HIS 66 HA HIS 66 14.291 4.078 10.597 523 1HB HIS 66 HB2 HIS 66 15.519 2.439 9.304 524 2HB HIS 66 HB3 HIS 66 15.489 3.491 7.883 525 HD2 HIS 66 HD2 HIS 66 17.304 5.388 7.717 526 HE1 HIS 66 HE1 HIS 66 18.964 5.055 11.623 527 HE2 HIS 66 HE2 HIS 66 19.181 6.204 9.360 528 H LEU 67 H LEU 67 14.055 5.342 7.179 529 HA LEU 67 HA LEU 67 15.077 7.858 8.108 530 1HB LEU 67 HB2 LEU 67 14.447 8.768 5.834 531 2HB LEU 67 HB3 LEU 67 15.765 7.624 6.037 532 HG LEU 67 HG LEU 67 14.505 5.817 5.120 533 1HD1 LEU 67 1HD1 LEU 67 12.224 7.825 5.066 534 2HD1 LEU 67 2HD1 LEU 67 12.213 6.346 4.083 535 3HD1 LEU 67 3HD1 LEU 67 12.268 6.251 5.852 536 1HD2 LEU 67 1HD2 LEU 67 14.238 8.273 3.365 537 2HD2 LEU 67 2HD2 LEU 67 15.690 7.253 3.547 538 3HD2 LEU 67 3HD2 LEU 67 14.220 6.578 2.825 539 H LEU 68 H LEU 68 11.726 6.716 7.877 540 HA LEU 68 HA LEU 68 10.632 9.363 8.346 541 1HB LEU 68 HB2 LEU 68 9.580 6.555 8.807 542 2HB LEU 68 HB3 LEU 68 8.687 7.966 9.376 543 HG LEU 68 HG LEU 68 9.539 7.703 6.476 544 1HD1 LEU 68 1HD1 LEU 68 7.155 7.036 6.079 545 2HD1 LEU 68 2HD1 LEU 68 8.101 5.796 6.936 546 3HD1 LEU 68 3HD1 LEU 68 6.954 6.821 7.828 547 1HD2 LEU 68 1HD2 LEU 68 8.805 10.015 7.375 548 2HD2 LEU 68 2HD2 LEU 68 7.783 9.354 6.099 549 3HD2 LEU 68 3HD2 LEU 68 7.255 9.257 7.783 550 H ALA 69 H ALA 69 11.451 6.644 10.576 551 HA ALA 69 HA ALA 69 10.851 8.004 12.999 552 1HB ALA 69 HB1 ALA 69 12.376 6.361 14.028 553 2HB ALA 69 HB2 ALA 69 11.326 5.575 12.834 554 3HB ALA 69 HB3 ALA 69 13.019 5.925 12.431 555 H GLU 70 H GLU 70 13.901 7.898 11.093 556 HA GLU 70 HA GLU 70 15.402 9.569 12.774 557 1HB GLU 70 HB2 GLU 70 16.277 8.134 10.927 558 2HB GLU 70 HB3 GLU 70 15.584 9.271 9.756 559 1HG GLU 70 HG2 GLU 70 17.953 9.655 10.021 560 2HG GLU 70 HG3 GLU 70 17.067 11.066 10.609 561 H LYS 71 H LYS 71 13.280 10.440 9.950 562 HA LYS 71 HA LYS 71 13.752 13.205 10.006 563 1HB LYS 71 HB2 LYS 71 12.661 12.118 8.217 564 2HB LYS 71 HB3 LYS 71 11.302 11.610 9.217 565 1HG LYS 71 HG2 LYS 71 10.763 13.449 7.698 566 2HG LYS 71 HG3 LYS 71 10.492 13.877 9.390 567 1HD LYS 71 HD2 LYS 71 12.382 15.272 9.476 568 2HD LYS 71 HD3 LYS 71 13.088 14.597 7.989 569 1HE LYS 71 HE2 LYS 71 11.410 15.654 6.616 570 2HE LYS 71 HE3 LYS 71 10.451 16.131 8.026 571 1HZ LYS 71 HZ1 LYS 71 11.697 17.943 7.187 572 2HZ LYS 71 HZ2 LYS 71 12.250 17.556 8.688 573 3HZ LYS 71 HZ3 LYS 71 13.125 17.134 7.354 574 H ILE 72 H ILE 72 11.164 11.358 11.730 575 HA ILE 72 HA ILE 72 10.102 13.495 13.268 576 HB ILE 72 HB ILE 72 10.469 10.548 13.958 577 1HG1 ILE 72 2HG1 ILE 72 8.107 12.139 12.916 578 2HG1 ILE 72 3HG1 ILE 72 9.009 10.840 12.095 579 1HG2 ILE 72 1HG2 ILE 72 8.976 12.712 15.487 580 2HG2 ILE 72 2HG2 ILE 72 8.815 10.952 15.773 581 3HG2 ILE 72 3HG2 ILE 72 10.346 11.735 16.042 582 1HD1 ILE 72 1HD1 ILE 72 8.301 9.309 14.017 583 2HD1 ILE 72 2HD1 ILE 72 7.100 10.562 14.422 584 3HD1 ILE 72 3HD1 ILE 72 7.064 9.781 12.844 585 H TYR 73 H TYR 73 12.750 11.259 14.082 586 HA TYR 73 HA TYR 73 13.380 12.179 16.619 587 1HB TYR 73 HB2 TYR 73 14.130 10.135 15.426 588 2HB TYR 73 HB3 TYR 73 15.286 11.087 14.540 589 HD1 TYR 73 HD1 TYR 73 14.379 9.505 17.691 590 HD2 TYR 73 HD2 TYR 73 17.288 12.037 15.756 591 HE1 TYR 73 HE1 TYR 73 15.999 8.936 19.413 592 HE2 TYR 73 HE2 TYR 73 18.917 11.526 17.542 593 HH TYR 73 HH TYR 73 19.391 10.171 19.355 594 H LYS 74 H LYS 74 14.880 13.146 13.542 595 HA LYS 74 HA LYS 74 16.547 15.222 14.544 596 1HB LYS 74 HB2 LYS 74 15.240 14.883 11.817 597 2HB LYS 74 HB3 LYS 74 16.335 16.203 12.238 598 1HG LYS 74 HG2 LYS 74 18.046 14.438 12.986 599 2HG LYS 74 HG3 LYS 74 16.982 13.230 12.270 600 1HD LYS 74 HD2 LYS 74 18.651 13.720 10.652 601 2HD LYS 74 HD3 LYS 74 17.172 14.500 10.066 602 1HE LYS 74 HE2 LYS 74 18.004 16.702 10.914 603 2HE LYS 74 HE3 LYS 74 19.412 15.904 11.626 604 1HZ LYS 74 HZ1 LYS 74 20.101 15.290 9.429 605 2HZ LYS 74 HZ2 LYS 74 18.778 16.014 8.762 606 3HZ LYS 74 HZ3 LYS 74 19.910 16.922 9.542 607 H ILE 75 H ILE 75 13.162 15.480 13.254 608 HA ILE 75 HA ILE 75 12.855 18.267 13.724 609 HB ILE 75 HB ILE 75 10.786 16.036 13.894 610 1HG1 ILE 75 2HG1 ILE 75 11.358 18.100 11.711 611 2HG1 ILE 75 3HG1 ILE 75 12.052 16.490 11.678 612 1HG2 ILE 75 1HG2 ILE 75 9.965 17.975 15.144 613 2HG2 ILE 75 2HG2 ILE 75 10.491 19.074 13.850 614 3HG2 ILE 75 3HG2 ILE 75 9.154 17.947 13.588 615 1HD1 ILE 75 1HD1 ILE 75 9.068 17.090 11.581 616 2HD1 ILE 75 2HD1 ILE 75 10.098 16.509 10.276 617 3HD1 ILE 75 3HD1 ILE 75 9.793 15.469 11.678 618 H GLN 76 H GLN 76 12.205 15.554 16.065 619 HA GLN 76 HA GLN 76 11.637 17.431 18.164 620 1HB GLN 76 HB2 GLN 76 12.435 14.515 18.144 621 2HB GLN 76 HB3 GLN 76 12.217 15.384 19.663 622 1HG GLN 76 HG2 GLN 76 10.059 15.160 17.488 623 2HG GLN 76 HG3 GLN 76 10.178 14.146 18.922 624 1HE2 GLN 76 2HE2 GLN 76 7.757 15.417 18.756 625 2HE2 GLN 76 1HE2 GLN 76 7.755 16.479 20.129 626 H LYS 77 H LYS 77 14.753 15.850 17.277 627 HA LYS 77 HA LYS 77 16.209 16.853 19.477 628 1HB LYS 77 HB2 LYS 77 17.033 16.141 16.656 629 2HB LYS 77 HB3 LYS 77 18.222 16.540 17.887 630 1HG LYS 77 HG2 LYS 77 16.203 14.423 18.600 631 2HG LYS 77 HG3 LYS 77 17.408 14.034 17.380 632 1HD LYS 77 HD2 LYS 77 18.142 13.340 19.604 633 2HD LYS 77 HD3 LYS 77 19.245 14.523 18.885 634 1HE LYS 77 HE2 LYS 77 18.364 16.304 20.302 635 2HE LYS 77 HE3 LYS 77 17.080 15.244 20.918 636 1HZ LYS 77 HZ1 LYS 77 19.962 14.848 21.306 637 2HZ LYS 77 HZ2 LYS 77 18.905 15.433 22.425 638 3HZ LYS 77 HZ3 LYS 77 18.767 13.878 21.898 639 H GLU 78 H GLU 78 15.527 18.367 16.348 640 HA GLU 78 HA GLU 78 17.023 20.791 16.989 641 1HB GLU 78 HB2 GLU 78 15.057 20.095 14.777 642 2HB GLU 78 HB3 GLU 78 15.946 21.625 14.886 643 1HG GLU 78 HG2 GLU 78 17.213 18.868 14.634 644 2HG GLU 78 HG3 GLU 78 17.034 20.052 13.340 645 H LEU 79 H LEU 79 13.565 20.164 16.461 646 HA LEU 79 HA LEU 79 12.762 22.794 17.302 647 1HB LEU 79 HB2 LEU 79 11.950 21.351 15.345 648 2HB LEU 79 HB3 LEU 79 11.066 20.404 16.550 649 HG LEU 79 HG LEU 79 9.672 22.342 17.104 650 1HD1 LEU 79 1HD1 LEU 79 11.301 23.757 14.938 651 2HD1 LEU 79 2HD1 LEU 79 9.762 24.349 15.597 652 3HD1 LEU 79 3HD1 LEU 79 11.174 24.229 16.649 653 1HD2 LEU 79 1HD2 LEU 79 9.929 21.697 14.130 654 2HD2 LEU 79 2HD2 LEU 79 9.062 20.729 15.330 655 3HD2 LEU 79 3HD2 LEU 79 8.478 22.357 14.927 656 H GLU 80 H GLU 80 13.181 19.890 19.030 657 HA GLU 80 HA GLU 80 11.877 18.803 20.549 658 1HB GLU 80 HB2 GLU 80 14.023 19.711 21.399 659 2HB GLU 80 HB3 GLU 80 13.126 21.033 22.169 660 1HG GLU 80 HG2 GLU 80 11.870 19.416 23.529 661 2HG GLU 80 HG3 GLU 80 12.579 18.057 22.631 662 H GLU 81 H GLU 81 9.778 18.905 20.041 663 HA GLU 81 HA GLU 81 7.978 20.875 21.350 664 1HB GLU 81 HB2 GLU 81 7.630 18.650 19.333 665 2HB GLU 81 HB3 GLU 81 6.237 19.324 20.172 666 1HG GLU 81 HG2 GLU 81 8.187 21.062 18.639 667 2HG GLU 81 HG3 GLU 81 6.739 20.335 17.923 668 H LYS 82 H LYS 82 9.756 18.669 22.697 669 HA LYS 82 HA LYS 82 8.277 16.642 23.835 670 1HB LYS 82 HB2 LYS 82 10.743 17.105 23.996 671 2HB LYS 82 HB3 LYS 82 10.383 18.381 25.170 672 1HG LYS 82 HG2 LYS 82 9.424 16.613 26.702 673 2HG LYS 82 HG3 LYS 82 9.796 15.402 25.469 674 1HD LYS 82 HD2 LYS 82 11.574 15.311 27.061 675 2HD LYS 82 HD3 LYS 82 12.242 16.106 25.626 676 1HE LYS 82 HE2 LYS 82 11.890 18.341 26.759 677 2HE LYS 82 HE3 LYS 82 11.250 17.486 28.173 678 1HZ LYS 82 HZ1 LYS 82 13.519 18.051 28.449 679 2HZ LYS 82 HZ2 LYS 82 13.395 16.411 28.359 680 3HZ LYS 82 HZ3 LYS 82 13.958 17.273 27.066 681 H ARG 83 H ARG 83 8.207 20.059 24.732 682 HA ARG 83 HA ARG 83 6.834 20.038 27.181 683 1HB ARG 83 HB2 ARG 83 6.612 21.832 24.740 684 2HB ARG 83 HB3 ARG 83 5.877 22.228 26.298 685 1HG ARG 83 HG2 ARG 83 7.931 22.515 27.385 686 2HG ARG 83 HG3 ARG 83 8.850 21.604 26.183 687 1HD ARG 83 HD2 ARG 83 7.537 24.296 25.622 688 2HD ARG 83 HD3 ARG 83 9.218 24.062 26.073 689 HE ARG 83 HE ARG 83 9.704 22.881 24.088 690 1HH1 ARG 83 2HH1 ARG 83 6.467 24.371 23.944 691 2HH1 ARG 83 1HH1 ARG 83 6.430 24.325 22.201 692 1HH2 ARG 83 1HH2 ARG 83 9.546 22.708 21.881 693 2HH2 ARG 83 2HH2 ARG 83 8.174 23.360 21.015 694 H ARG 84 H ARG 84 5.579 19.587 23.877 695 HA ARG 84 HA ARG 84 2.798 19.217 24.867 696 1HB ARG 84 HB2 ARG 84 3.896 19.766 22.066 697 2HB ARG 84 HB3 ARG 84 2.196 19.668 22.548 698 1HG ARG 84 HG2 ARG 84 2.584 21.583 24.096 699 2HG ARG 84 HG3 ARG 84 4.247 21.719 23.533 700 1HD ARG 84 HD2 ARG 84 2.735 23.340 22.414 701 2HD ARG 84 HD3 ARG 84 3.612 22.284 21.320 702 HE ARG 84 HE ARG 84 0.728 22.029 22.111 703 1HH1 ARG 84 2HH2 ARG 84 3.242 21.447 19.593 704 2HH1 ARG 84 1HH2 ARG 84 2.062 20.888 18.452 705 1HH2 ARG 84 1HH1 ARG 84 -0.719 21.266 20.576 706 2HH2 ARG 84 2HH1 ARG 84 -0.188 20.796 18.990 707 H SER 85 H SER 85 5.038 17.937 22.449 708 HA SER 85 HA SER 85 3.501 15.802 21.561 709 1HB SER 85 HB2 SER 85 5.617 14.970 20.557 710 2HB SER 85 HB3 SER 85 5.374 16.711 20.318 711 HG SER 85 HG SER 85 6.659 16.894 22.354 712 H ARG 86 H ARG 86 3.256 13.698 21.960 713 HA ARG 86 HA ARG 86 3.632 12.611 24.536 714 1HB ARG 86 HB2 ARG 86 3.130 11.332 21.844 715 2HB ARG 86 HB3 ARG 86 3.019 10.453 23.374 716 1HG ARG 86 HG2 ARG 86 1.099 11.567 24.078 717 2HG ARG 86 HG3 ARG 86 1.454 13.032 23.162 718 1HD ARG 86 HD2 ARG 86 1.015 11.808 21.050 719 2HD ARG 86 HD3 ARG 86 0.432 10.422 22.005 720 HE ARG 86 HE ARG 86 -1.025 12.467 23.040 721 1HH1 ARG 86 2HH1 ARG 86 -0.520 11.384 19.723 722 2HH1 ARG 86 1HH1 ARG 86 -1.909 12.216 19.073 723 1HH2 ARG 86 2HH2 ARG 86 -2.927 13.454 22.248 724 2HH2 ARG 86 1HH2 ARG 86 -3.389 13.290 20.575 725 H LEU 87 H LEU 87 5.232 11.399 25.432 726 HA LEU 87 HA LEU 87 7.822 11.818 24.751 727 1HB LEU 87 HB2 LEU 87 8.457 10.273 26.430 728 2HB LEU 87 HB3 LEU 87 7.022 11.153 26.947 729 HG LEU 87 HG LEU 87 7.196 8.248 26.053 730 1HD1 LEU 87 1HD1 LEU 87 7.984 8.845 28.360 731 2HD1 LEU 87 2HD1 LEU 87 6.389 9.536 28.699 732 3HD1 LEU 87 3HD1 LEU 87 6.553 7.800 28.376 733 1HD2 LEU 87 1HD2 LEU 87 4.804 8.051 26.712 734 2HD2 LEU 87 2HD2 LEU 87 4.696 9.817 26.829 735 3HD2 LEU 87 3HD2 LEU 87 5.012 9.025 25.262 736 1H LYS 88 H1 LYS 88 14.968 15.316 26.931 737 2H LYS 88 H2 LYS 88 14.116 13.936 27.235 738 3H LYS 88 H3 LYS 88 15.613 14.141 27.892 739 HA LYS 88 HA LYS 88 14.996 13.918 25.051 740 1HB LYS 88 HB2 LYS 88 17.632 14.260 26.503 741 2HB LYS 88 HB3 LYS 88 17.523 13.646 24.838 742 1HG LYS 88 HG2 LYS 88 16.433 15.644 24.060 743 2HG LYS 88 HG3 LYS 88 16.291 16.298 25.698 744 1HD LYS 88 HD2 LYS 88 18.670 16.578 25.914 745 2HD LYS 88 HD3 LYS 88 18.987 15.634 24.458 746 1HE LYS 88 HE2 LYS 88 19.247 18.019 23.969 747 2HE LYS 88 HE3 LYS 88 17.867 17.377 23.065 748 1HZ LYS 88 HZ1 LYS 88 16.419 18.299 24.708 749 2HZ LYS 88 HZ2 LYS 88 17.698 18.883 25.580 750 3HZ LYS 88 HZ3 LYS 88 17.383 19.469 24.073 751 H GLU 89 H GLU 89 17.553 12.084 26.429 752 HA GLU 89 HA GLU 89 17.573 9.845 25.408 753 1HB GLU 89 HB2 GLU 89 17.350 9.801 28.443 754 2HB GLU 89 HB3 GLU 89 18.205 8.652 27.402 755 1HG GLU 89 HG2 GLU 89 19.640 10.587 26.600 756 2HG GLU 89 HG3 GLU 89 18.859 11.599 27.835 757 H LYS 90 H LYS 90 15.248 9.688 28.102 758 HA LYS 90 HA LYS 90 14.067 7.227 27.389 759 1HB LYS 90 HB2 LYS 90 12.903 9.629 28.864 760 2HB LYS 90 HB3 LYS 90 12.126 8.041 28.772 761 1HG LYS 90 HG2 LYS 90 14.033 6.986 29.898 762 2HG LYS 90 HG3 LYS 90 14.892 8.538 29.973 763 1HD LYS 90 HD2 LYS 90 13.034 9.499 31.324 764 2HD LYS 90 HD3 LYS 90 12.191 7.939 31.268 765 1HE LYS 90 HE2 LYS 90 14.090 6.862 32.452 766 2HE LYS 90 HE3 LYS 90 14.955 8.411 32.491 767 1HZ LYS 90 HZ1 LYS 90 13.182 9.305 33.805 768 2HZ LYS 90 HZ2 LYS 90 12.364 7.875 33.763 769 3HZ LYS 90 HZ3 LYS 90 13.818 7.971 34.532 770 H ARG 91 H ARG 91 13.088 10.532 26.563 771 HA ARG 91 HA ARG 91 10.734 9.736 25.071 772 1HB ARG 91 HB2 ARG 91 10.244 11.889 24.986 773 2HB ARG 91 HB3 ARG 91 11.566 12.126 26.101 774 1HG ARG 91 HG2 ARG 91 11.715 13.780 24.452 775 2HG ARG 91 HG3 ARG 91 13.063 12.703 24.150 776 1HD ARG 91 HD2 ARG 91 11.964 13.523 22.084 777 2HD ARG 91 HD3 ARG 91 11.904 11.800 22.133 778 HE ARG 91 HE ARG 91 9.586 11.821 22.578 779 1HH1 ARG 91 1HH2 ARG 91 10.876 15.135 22.435 780 2HH1 ARG 91 2HH2 ARG 91 9.327 15.846 22.077 781 1HH2 ARG 91 2HH1 ARG 91 7.492 12.852 22.247 782 2HH2 ARG 91 1HH1 ARG 91 7.443 14.592 22.088 783 H ILE 92 H ILE 92 14.105 10.604 24.309 784 HA ILE 92 HA ILE 92 13.859 10.513 21.518 785 HB ILE 92 HB ILE 92 15.948 10.871 23.412 786 1HG1 ILE 92 2HG1 ILE 92 17.152 11.764 21.367 787 2HG1 ILE 92 3HG1 ILE 92 15.738 11.267 20.421 788 1HG2 ILE 92 1HG2 ILE 92 16.786 8.619 23.126 789 2HG2 ILE 92 2HG2 ILE 92 16.848 8.815 21.376 790 3HG2 ILE 92 3HG2 ILE 92 17.881 9.800 22.417 791 1HD1 ILE 92 1HD1 ILE 92 14.303 12.690 21.929 792 2HD1 ILE 92 2HD1 ILE 92 15.789 13.249 22.726 793 3HD1 ILE 92 3HD1 ILE 92 15.507 13.587 21.004 794 H LYS 93 H LYS 93 14.522 7.776 23.715 795 HA LYS 93 HA LYS 93 14.540 5.905 21.494 796 1HB LYS 93 HB2 LYS 93 14.356 5.586 24.495 797 2HB LYS 93 HB3 LYS 93 14.294 4.190 23.412 798 1HG LYS 93 HG2 LYS 93 16.535 6.165 22.991 799 2HG LYS 93 HG3 LYS 93 16.594 5.154 24.434 800 1HD LYS 93 HD2 LYS 93 17.860 4.110 22.660 801 2HD LYS 93 HD3 LYS 93 16.465 3.105 23.073 802 1HE LYS 93 HE2 LYS 93 15.279 3.841 21.056 803 2HE LYS 93 HE3 LYS 93 16.558 5.028 20.696 804 1HZ LYS 93 HZ1 LYS 93 16.753 3.082 19.393 805 2HZ LYS 93 HZ2 LYS 93 18.059 3.210 20.393 806 3HZ LYS 93 HZ3 LYS 93 16.869 2.115 20.726 807 H GLU 94 H GLU 94 12.005 6.803 23.898 808 HA GLU 94 HA GLU 94 10.073 4.934 23.003 809 1HB GLU 94 HB2 GLU 94 9.816 7.662 24.301 810 2HB GLU 94 HB3 GLU 94 8.430 6.600 24.009 811 1HG GLU 94 HG2 GLU 94 9.359 4.838 25.381 812 2HG GLU 94 HG3 GLU 94 10.895 5.683 25.568 813 H LEU 95 H LEU 95 10.644 8.247 21.912 814 HA LEU 95 HA LEU 95 8.762 8.669 19.930 815 1HB LEU 95 HB2 LEU 95 10.423 10.255 20.821 816 2HB LEU 95 HB3 LEU 95 11.730 9.359 20.056 817 HG LEU 95 HG LEU 95 10.831 10.035 17.801 818 1HD1 LEU 95 1HD1 LEU 95 8.880 11.550 19.640 819 2HD1 LEU 95 2HD1 LEU 95 9.181 12.052 17.980 820 3HD1 LEU 95 3HD1 LEU 95 8.464 10.459 18.301 821 1HD2 LEU 95 1HD2 LEU 95 11.579 12.347 18.026 822 2HD2 LEU 95 2HD2 LEU 95 11.425 12.256 19.790 823 3HD2 LEU 95 3HD2 LEU 95 12.626 11.254 18.947 824 H GLU 96 H GLU 96 12.043 7.234 19.496 825 HA GLU 96 HA GLU 96 11.737 6.518 16.772 826 1HB GLU 96 HB2 GLU 96 13.870 6.705 17.994 827 2HB GLU 96 HB3 GLU 96 13.478 5.269 18.948 828 1HG GLU 96 HG2 GLU 96 13.479 3.895 16.878 829 2HG GLU 96 HG3 GLU 96 13.830 5.345 15.918 830 H LEU 97 H LEU 97 11.360 4.531 19.727 831 HA LEU 97 HA LEU 97 10.668 2.107 18.523 832 1HB LEU 97 HB2 LEU 97 11.350 2.355 20.850 833 2HB LEU 97 HB3 LEU 97 9.894 3.286 21.213 834 HG LEU 97 HG LEU 97 8.481 1.300 20.815 835 1HD1 LEU 97 1HD1 LEU 97 9.566 -0.940 20.611 836 2HD1 LEU 97 2HD1 LEU 97 9.820 0.050 19.171 837 3HD1 LEU 97 3HD1 LEU 97 11.133 -0.147 20.355 838 1HD2 LEU 97 1HD2 LEU 97 9.197 0.059 22.817 839 2HD2 LEU 97 2HD2 LEU 97 10.800 0.820 22.734 840 3HD2 LEU 97 3HD2 LEU 97 9.360 1.806 23.064 841 H LEU 98 H LEU 98 8.515 4.772 19.578 842 HA LEU 98 HA LEU 98 6.048 3.515 19.113 843 1HB LEU 98 HB2 LEU 98 6.279 5.592 20.357 844 2HB LEU 98 HB3 LEU 98 6.887 6.433 18.927 845 HG LEU 98 HG LEU 98 4.682 6.154 17.816 846 1HD1 LEU 98 1HD1 LEU 98 3.866 4.927 20.496 847 2HD1 LEU 98 2HD1 LEU 98 2.726 5.466 19.248 848 3HD1 LEU 98 3HD1 LEU 98 3.825 4.123 18.911 849 1HD2 LEU 98 1HD2 LEU 98 4.549 7.439 20.569 850 2HD2 LEU 98 2HD2 LEU 98 5.219 8.181 19.100 851 3HD2 LEU 98 3HD2 LEU 98 3.491 7.794 19.185 852 H LEU 99 H LEU 99 7.991 5.608 16.879 853 HA LEU 99 HA LEU 99 6.176 5.299 14.725 854 1HB LEU 99 HB2 LEU 99 8.085 6.985 14.988 855 2HB LEU 99 HB3 LEU 99 9.162 5.751 14.348 856 HG LEU 99 HG LEU 99 8.461 7.364 12.671 857 1HD1 LEU 99 1HD1 LEU 99 7.885 5.938 10.869 858 2HD1 LEU 99 2HD1 LEU 99 8.919 5.001 11.967 859 3HD1 LEU 99 3HD1 LEU 99 7.153 4.740 11.933 860 1HD2 LEU 99 1HD2 LEU 99 6.160 7.802 13.662 861 2HD2 LEU 99 2HD2 LEU 99 6.235 7.677 11.890 862 3HD2 LEU 99 3HD2 LEU 99 5.604 6.330 12.843 863 H MET 100 H MET 100 9.165 3.433 15.521 864 HA MET 100 HA MET 100 9.040 1.522 13.452 865 1HB MET 100 HB2 MET 100 9.876 1.189 16.350 866 2HB MET 100 HB3 MET 100 10.176 -0.005 15.087 867 1HG MET 100 HG2 MET 100 11.181 2.860 14.886 868 2HG MET 100 HG3 MET 100 12.089 1.560 15.656 869 1HE MET 100 HE1 MET 100 14.065 2.231 12.365 870 2HE MET 100 HE2 MET 100 13.181 3.444 13.321 871 3HE MET 100 HE3 MET 100 14.133 2.182 14.142 872 H SER 101 H SER 101 7.243 1.548 16.542 873 HA SER 101 HA SER 101 6.178 -1.051 16.331 874 1HB SER 101 HB2 SER 101 5.119 1.362 17.851 875 2HB SER 101 HB3 SER 101 4.553 -0.300 18.055 876 HG SER 101 HG SER 101 7.215 0.620 18.442 877 H THR 102 H THR 102 4.840 1.993 15.069 878 HA THR 102 HA THR 102 2.353 1.979 14.886 879 HB THR 102 HB THR 102 3.827 2.094 12.242 880 HG1 THR 102 HG1 THR 102 4.888 3.419 13.585 881 1HG2 THR 102 1HG2 THR 102 1.328 3.515 13.278 882 2HG2 THR 102 2HG2 THR 102 2.125 3.845 11.735 883 3HG2 THR 102 3HG2 THR 102 1.351 2.279 12.001 884 H GLU 103 H GLU 103 3.675 -0.317 12.367 885 HA GLU 103 HA GLU 103 1.211 -1.219 11.501 886 1HB GLU 103 HB2 GLU 103 2.365 -3.243 10.721 887 2HB GLU 103 HB3 GLU 103 3.199 -1.731 10.371 888 1HG GLU 103 HG2 GLU 103 4.719 -2.186 12.381 889 2HG GLU 103 HG3 GLU 103 3.919 -3.759 12.539 890 H ASN 104 H ASN 104 2.925 -2.292 14.383 891 HA ASN 104 HA ASN 104 1.258 -4.581 14.975 892 1HB ASN 104 HB2 ASN 104 2.861 -2.830 16.896 893 2HB ASN 104 HB3 ASN 104 2.195 -4.430 17.231 894 1HD2 ASN 104 2HD2 ASN 104 4.685 -2.662 15.411 895 2HD2 ASN 104 1HD2 ASN 104 5.650 -4.085 15.030 896 H GLU 105 H GLU 105 0.954 -1.101 15.600 897 HA GLU 105 HA GLU 105 -1.356 -1.362 17.393 898 1HB GLU 105 HB2 GLU 105 -0.148 1.034 15.950 899 2HB GLU 105 HB3 GLU 105 -1.404 1.106 17.187 900 1HG GLU 105 HG2 GLU 105 0.109 0.371 18.898 901 2HG GLU 105 HG3 GLU 105 1.335 -0.135 17.730 902 H LEU 106 H LEU 106 -0.656 -0.540 14.003 903 HA LEU 106 HA LEU 106 -3.196 0.090 13.017 904 1HB LEU 106 HB2 LEU 106 -0.882 0.161 11.893 905 2HB LEU 106 HB3 LEU 106 -1.077 -1.565 11.602 906 HG LEU 106 HG LEU 106 -3.278 -0.943 10.387 907 1HD1 LEU 106 1HD1 LEU 106 -3.323 1.455 11.148 908 2HD1 LEU 106 2HD1 LEU 106 -1.739 1.681 10.370 909 3HD1 LEU 106 3HD1 LEU 106 -3.166 1.370 9.387 910 1HD2 LEU 106 1HD2 LEU 106 -1.936 -0.477 8.314 911 2HD2 LEU 106 2HD2 LEU 106 -0.509 -0.275 9.359 912 3HD2 LEU 106 3HD2 LEU 106 -1.325 -1.846 9.261 913 H LYS 107 H LYS 107 -1.580 -3.092 13.122 914 HA LYS 107 HA LYS 107 -3.864 -4.629 12.304 915 1HB LYS 107 HB2 LYS 107 -1.321 -5.124 12.160 916 2HB LYS 107 HB3 LYS 107 -1.449 -5.677 13.829 917 1HG LYS 107 HG2 LYS 107 -2.949 -6.749 11.383 918 2HG LYS 107 HG3 LYS 107 -1.555 -7.494 12.177 919 1HD LYS 107 HD2 LYS 107 -2.960 -7.671 14.293 920 2HD LYS 107 HD3 LYS 107 -4.360 -7.170 13.306 921 1HE LYS 107 HE2 LYS 107 -4.004 -9.063 11.772 922 2HE LYS 107 HE3 LYS 107 -2.663 -9.637 12.786 923 1HZ LYS 107 HZ1 LYS 107 -4.753 -10.726 13.254 924 2HZ LYS 107 HZ2 LYS 107 -4.205 -9.902 14.575 925 3HZ LYS 107 HZ3 LYS 107 -5.443 -9.296 13.669 926 H GLY 108 H GLY 108 -2.293 -3.993 15.508 927 1HA GLY 108 HA2 GLY 108 -3.846 -5.420 17.239 928 2HA GLY 108 HA3 GLY 108 -3.230 -3.794 17.583 929 H GLN 109 H GLN 109 -4.692 -2.178 15.909 930 HA GLN 109 HA GLN 109 -7.347 -2.084 17.050 931 1HB GLN 109 HB2 GLN 109 -6.096 -0.751 14.621 932 2HB GLN 109 HB3 GLN 109 -7.722 -0.384 15.210 933 1HG GLN 109 HG2 GLN 109 -6.939 0.554 17.237 934 2HG GLN 109 HG3 GLN 109 -5.327 -0.148 17.070 935 1HE2 GLN 109 2HE2 GLN 109 -4.063 0.522 15.120 936 2HE2 GLN 109 1HE2 GLN 109 -4.195 2.206 14.589 937 H GLN 110 H GLN 110 -6.223 -2.888 13.697 938 HA GLN 110 HA GLN 110 -8.883 -3.945 13.004 939 1HB GLN 110 HB2 GLN 110 -6.258 -3.737 11.502 940 2HB GLN 110 HB3 GLN 110 -7.763 -4.346 10.795 941 1HG GLN 110 HG2 GLN 110 -8.889 -2.265 11.022 942 2HG GLN 110 HG3 GLN 110 -7.668 -1.597 12.110 943 1HE2 GLN 110 2HE2 GLN 110 -5.363 -1.525 11.202 944 2HE2 GLN 110 1HE2 GLN 110 -5.277 -0.894 9.541 945 H ALA 111 H ALA 111 -8.488 -5.445 14.979 946 HA ALA 111 HA ALA 111 -6.661 -7.623 14.726 947 1HB ALA 111 HB1 ALA 111 -9.077 -7.316 16.547 948 2HB ALA 111 HB2 ALA 111 -7.725 -8.448 16.769 949 3HB ALA 111 HB3 ALA 111 -7.441 -6.701 16.866 950 H LEU 112 H LEU 112 -7.709 -7.938 12.350 951 HA LEU 112 HA LEU 112 -9.980 -9.776 12.250 952 1HB LEU 112 HB2 LEU 112 -7.871 -9.107 10.162 953 2HB LEU 112 HB3 LEU 112 -9.400 -9.944 9.866 954 HG LEU 112 HG LEU 112 -9.120 -7.052 10.831 955 1HD1 LEU 112 1HD1 LEU 112 -9.871 -6.454 8.584 956 2HD1 LEU 112 2HD1 LEU 112 -8.371 -7.393 8.505 957 3HD1 LEU 112 3HD1 LEU 112 -9.923 -8.168 8.116 958 1HD2 LEU 112 1HD2 LEU 112 -11.564 -6.930 10.280 959 2HD2 LEU 112 2HD2 LEU 112 -11.578 -8.692 10.062 960 3HD2 LEU 112 3HD2 LEU 112 -11.225 -7.984 11.655 Start of MODEL 9 1 1H GLY 1 H1 GLY 1 14.627 -4.790 0.580 2 2H GLY 1 H2 GLY 1 14.563 -6.088 1.598 3 3H GLY 1 H3 GLY 1 13.399 -5.884 0.444 4 1HA GLY 1 HA2 GLY 1 12.573 -5.284 2.619 5 2HA GLY 1 HA3 GLY 1 13.885 -4.099 2.719 6 H VAL 2 H VAL 2 10.802 -4.865 1.265 7 HA VAL 2 HA VAL 2 10.668 -2.663 -0.570 8 HB VAL 2 HB VAL 2 8.270 -3.343 -0.773 9 1HG1 VAL 2 1HG1 VAL 2 10.364 -5.525 -1.109 10 2HG1 VAL 2 2HG1 VAL 2 8.769 -5.481 -1.887 11 3HG1 VAL 2 3HG1 VAL 2 9.965 -4.236 -2.266 12 1HG2 VAL 2 1HG2 VAL 2 9.002 -5.684 1.051 13 2HG2 VAL 2 2HG2 VAL 2 7.983 -4.319 1.551 14 3HG2 VAL 2 3HG2 VAL 2 7.467 -5.378 0.233 15 H ARG 3 H ARG 3 11.475 -1.304 1.375 16 HA ARG 3 HA ARG 3 9.360 -0.282 3.119 17 1HB ARG 3 HB2 ARG 3 11.162 0.983 4.163 18 2HB ARG 3 HB3 ARG 3 11.492 -0.745 4.013 19 1HG ARG 3 HG2 ARG 3 12.795 0.129 1.761 20 2HG ARG 3 HG3 ARG 3 12.896 1.577 2.771 21 1HD ARG 3 HD2 ARG 3 13.800 0.153 4.623 22 2HD ARG 3 HD3 ARG 3 13.765 -1.257 3.553 23 HE ARG 3 HE ARG 3 15.662 0.946 3.607 24 1HH1 ARG 3 1HH2 ARG 3 14.318 -1.538 1.388 25 2HH1 ARG 3 2HH2 ARG 3 15.795 -1.617 0.472 26 1HH2 ARG 3 1HH1 ARG 3 17.479 0.812 2.421 27 2HH2 ARG 3 2HH1 ARG 3 17.624 -0.241 1.029 28 H LYS 4 H LYS 4 11.353 0.981 0.469 29 HA LYS 4 HA LYS 4 9.591 3.391 0.211 30 1HB LYS 4 HB2 LYS 4 12.050 2.608 -1.359 31 2HB LYS 4 HB3 LYS 4 11.113 4.092 -1.484 32 1HG LYS 4 HG2 LYS 4 12.647 3.301 1.033 33 2HG LYS 4 HG3 LYS 4 13.298 4.291 -0.278 34 1HD LYS 4 HD2 LYS 4 11.333 5.880 0.058 35 2HD LYS 4 HD3 LYS 4 10.965 4.987 1.548 36 1HE LYS 4 HE2 LYS 4 13.227 5.443 2.400 37 2HE LYS 4 HE3 LYS 4 13.659 6.257 0.889 38 1HZ LYS 4 HZ1 LYS 4 13.135 7.784 2.570 39 2HZ LYS 4 HZ2 LYS 4 12.028 7.910 1.352 40 3HZ LYS 4 HZ3 LYS 4 11.612 7.170 2.773 41 H GLY 5 H GLY 5 8.040 3.308 -1.469 42 1HA GLY 5 HA2 GLY 5 7.163 0.985 -2.666 43 2HA GLY 5 HA3 GLY 5 6.936 2.594 -3.372 44 H TRP 6 H TRP 6 9.488 3.300 -4.024 45 HA TRP 6 HA TRP 6 9.839 2.030 -6.516 46 1HB TRP 6 HB2 TRP 6 11.763 3.474 -6.801 47 2HB TRP 6 HB3 TRP 6 10.348 4.328 -6.214 48 HD1 TRP 6 HD1 TRP 6 10.495 5.445 -3.790 49 HE1 TRP 6 HE1 TRP 6 12.499 6.126 -2.322 50 HE3 TRP 6 HE3 TRP 6 14.181 2.811 -6.145 51 HZ2 TRP 6 HZ2 TRP 6 15.241 5.367 -2.013 52 HZ3 TRP 6 HZ3 TRP 6 16.508 2.894 -5.286 53 HH2 TRP 6 HH2 TRP 6 17.012 4.057 -3.157 54 H HIS 7 H HIS 7 10.913 0.826 -3.480 55 HA HIS 7 HA HIS 7 13.257 -0.617 -4.305 56 1HB HIS 7 HB2 HIS 7 12.410 -0.353 -1.896 57 2HB HIS 7 HB3 HIS 7 11.106 -1.452 -2.335 58 HD2 HIS 7 HD2 HIS 7 14.997 -1.380 -2.072 59 HE1 HIS 7 HE1 HIS 7 13.808 -5.455 -1.915 60 HE2 HIS 7 HE2 HIS 7 15.779 -3.854 -1.719 61 H GLU 8 H GLU 8 9.763 -1.100 -4.925 62 HA GLU 8 HA GLU 8 9.674 -3.683 -5.840 63 1HB GLU 8 HB2 GLU 8 7.808 -2.120 -5.530 64 2HB GLU 8 HB3 GLU 8 8.437 -1.077 -6.814 65 1HG GLU 8 HG2 GLU 8 8.119 -2.866 -8.437 66 2HG GLU 8 HG3 GLU 8 7.536 -3.924 -7.130 67 H HIS 9 H HIS 9 11.181 -0.817 -7.300 68 HA HIS 9 HA HIS 9 11.757 -2.264 -9.814 69 1HB HIS 9 HB2 HIS 9 11.875 0.684 -9.081 70 2HB HIS 9 HB3 HIS 9 12.253 -0.023 -10.653 71 HD2 HIS 9 HD2 HIS 9 9.255 0.488 -8.280 72 HE1 HIS 9 HE1 HIS 9 7.652 -0.916 -11.955 73 HE2 HIS 9 HE2 HIS 9 7.084 -0.155 -9.587 74 H VAL 10 H VAL 10 13.314 -0.573 -7.085 75 HA VAL 10 HA VAL 10 15.997 -1.311 -8.157 76 HB VAL 10 HB VAL 10 15.255 0.432 -5.797 77 1HG1 VAL 10 1HG1 VAL 10 17.967 -0.289 -7.020 78 2HG1 VAL 10 2HG1 VAL 10 17.695 0.979 -5.814 79 3HG1 VAL 10 3HG1 VAL 10 17.416 -0.703 -5.391 80 1HG2 VAL 10 1HG2 VAL 10 14.772 1.452 -7.978 81 2HG2 VAL 10 2HG2 VAL 10 16.239 2.200 -7.330 82 3HG2 VAL 10 3HG2 VAL 10 16.376 0.988 -8.590 83 H THR 11 H THR 11 15.967 -3.517 -8.000 84 HA THR 11 HA THR 11 15.309 -4.915 -5.577 85 HB THR 11 HB THR 11 16.433 -6.815 -6.891 86 HG1 THR 11 HG1 THR 11 16.794 -6.193 -9.131 87 1HG2 THR 11 1HG2 THR 11 14.623 -6.944 -8.539 88 2HG2 THR 11 2HG2 THR 11 14.011 -6.349 -6.984 89 3HG2 THR 11 3HG2 THR 11 14.265 -5.216 -8.329 90 H GLN 12 H GLN 12 16.793 -6.252 -4.402 91 HA GLN 12 HA GLN 12 19.037 -4.982 -3.280 92 1HB GLN 12 HB2 GLN 12 18.287 -7.921 -3.504 93 2HB GLN 12 HB3 GLN 12 19.603 -7.315 -2.512 94 1HG GLN 12 HG2 GLN 12 16.632 -6.658 -2.206 95 2HG GLN 12 HG3 GLN 12 17.603 -7.663 -1.128 96 1HE2 GLN 12 2HE2 GLN 12 19.844 -6.279 -0.537 97 2HE2 GLN 12 1HE2 GLN 12 19.474 -4.695 0.109 98 H ASP 13 H ASP 13 18.852 -7.265 -5.999 99 HA ASP 13 HA ASP 13 21.524 -7.615 -6.630 100 1HB ASP 13 HB2 ASP 13 19.263 -7.082 -8.614 101 2HB ASP 13 HB3 ASP 13 20.771 -7.947 -8.915 102 H LEU 14 H LEU 14 19.387 -4.913 -7.754 103 HA LEU 14 HA LEU 14 21.492 -3.537 -9.103 104 1HB LEU 14 HB2 LEU 14 19.177 -3.137 -9.691 105 2HB LEU 14 HB3 LEU 14 18.808 -2.570 -8.067 106 HG LEU 14 HG LEU 14 20.099 -0.588 -8.339 107 1HD1 LEU 14 1HD1 LEU 14 21.310 0.056 -10.344 108 2HD1 LEU 14 2HD1 LEU 14 22.022 -1.430 -9.735 109 3HD1 LEU 14 3HD1 LEU 14 20.939 -1.480 -11.136 110 1HD2 LEU 14 1HD2 LEU 14 18.553 -1.032 -10.926 111 2HD2 LEU 14 2HD2 LEU 14 17.806 -0.697 -9.360 112 3HD2 LEU 14 3HD2 LEU 14 18.854 0.518 -10.107 113 H ARG 15 H ARG 15 20.087 -3.190 -5.797 114 HA ARG 15 HA ARG 15 21.659 -0.984 -4.977 115 1HB ARG 15 HB2 ARG 15 20.784 -3.367 -3.298 116 2HB ARG 15 HB3 ARG 15 21.408 -1.837 -2.686 117 1HG ARG 15 HG2 ARG 15 19.496 -0.626 -3.736 118 2HG ARG 15 HG3 ARG 15 18.867 -2.154 -4.355 119 1HD ARG 15 HD2 ARG 15 17.684 -1.544 -2.313 120 2HD ARG 15 HD3 ARG 15 18.638 -3.021 -2.086 121 HE ARG 15 HE ARG 15 20.030 -0.559 -1.370 122 1HH1 ARG 15 1HH1 ARG 15 17.852 -3.081 -0.094 123 2HH1 ARG 15 2HH1 ARG 15 18.276 -2.741 1.563 124 1HH2 ARG 15 1HH2 ARG 15 20.833 -0.427 0.706 125 2HH2 ARG 15 2HH2 ARG 15 20.032 -1.225 2.038 126 H SER 16 H SER 16 22.458 -4.465 -4.777 127 HA SER 16 HA SER 16 25.027 -4.176 -3.603 128 1HB SER 16 HB2 SER 16 23.644 -6.275 -3.745 129 2HB SER 16 HB3 SER 16 24.080 -6.406 -5.458 130 HG SER 16 HG SER 16 26.298 -6.471 -4.743 131 H HIS 17 H HIS 17 23.987 -4.401 -7.051 132 HA HIS 17 HA HIS 17 26.580 -4.279 -8.166 133 1HB HIS 17 HB2 HIS 17 24.461 -4.821 -9.366 134 2HB HIS 17 HB3 HIS 17 24.023 -3.110 -9.331 135 HD2 HIS 17 HD2 HIS 17 27.718 -3.462 -10.087 136 HE1 HIS 17 HE1 HIS 17 25.809 -3.620 -13.877 137 HE2 HIS 17 HE2 HIS 17 28.035 -3.393 -12.696 138 H LEU 18 H LEU 18 24.275 -1.619 -7.350 139 HA LEU 18 HA LEU 18 25.966 0.517 -8.104 140 1HB LEU 18 HB2 LEU 18 23.734 0.317 -6.075 141 2HB LEU 18 HB3 LEU 18 24.554 1.845 -6.431 142 HG LEU 18 HG LEU 18 23.207 0.135 -8.560 143 1HD1 LEU 18 1HD1 LEU 18 22.102 2.482 -6.980 144 2HD1 LEU 18 2HD1 LEU 18 21.303 1.710 -8.368 145 3HD1 LEU 18 3HD1 LEU 18 21.558 0.791 -6.871 146 1HD2 LEU 18 1HD2 LEU 18 24.807 1.806 -9.473 147 2HD2 LEU 18 2HD2 LEU 18 23.137 2.239 -9.845 148 3HD2 LEU 18 3HD2 LEU 18 23.999 3.081 -8.543 149 H VAL 19 H VAL 19 25.704 -1.119 -4.887 150 HA VAL 19 HA VAL 19 27.736 0.319 -3.579 151 HB VAL 19 HB VAL 19 26.871 -2.567 -3.370 152 1HG1 VAL 19 1HG1 VAL 19 28.153 -2.804 -1.337 153 2HG1 VAL 19 2HG1 VAL 19 29.258 -2.534 -2.676 154 3HG1 VAL 19 3HG1 VAL 19 28.885 -1.202 -1.553 155 1HG2 VAL 19 1HG2 VAL 19 25.947 -1.785 -1.224 156 2HG2 VAL 19 2HG2 VAL 19 26.587 -0.151 -1.525 157 3HG2 VAL 19 3HG2 VAL 19 25.321 -0.830 -2.566 158 H HIS 20 H HIS 20 28.180 -2.570 -5.742 159 HA HIS 20 HA HIS 20 31.029 -2.488 -5.642 160 1HB HIS 20 HB2 HIS 20 29.856 -4.390 -6.684 161 2HB HIS 20 HB3 HIS 20 29.240 -3.328 -7.936 162 HD2 HIS 20 HD2 HIS 20 30.346 -4.822 -9.746 163 HE1 HIS 20 HE1 HIS 20 34.370 -3.643 -8.996 164 HE2 HIS 20 HE2 HIS 20 32.829 -4.763 -10.678 165 H LYS 21 H LYS 21 28.770 -0.815 -7.904 166 HA LYS 21 HA LYS 21 30.696 0.557 -9.431 167 1HB LYS 21 HB2 LYS 21 27.986 1.633 -8.648 168 2HB LYS 21 HB3 LYS 21 29.013 2.231 -9.933 169 1HG LYS 21 HG2 LYS 21 27.697 -0.503 -9.832 170 2HG LYS 21 HG3 LYS 21 27.157 0.855 -10.750 171 1HD LYS 21 HD2 LYS 21 29.879 -0.458 -11.205 172 2HD LYS 21 HD3 LYS 21 28.413 -0.944 -12.039 173 1HE LYS 21 HE2 LYS 21 29.436 1.918 -12.127 174 2HE LYS 21 HE3 LYS 21 29.865 0.679 -13.317 175 1HZ LYS 21 HZ1 LYS 21 27.661 0.459 -13.950 176 2HZ LYS 21 HZ2 LYS 21 27.084 1.412 -12.726 177 3HZ LYS 21 HZ3 LYS 21 27.974 2.079 -13.935 178 H LEU 22 H LEU 22 29.271 1.535 -6.269 179 HA LEU 22 HA LEU 22 30.649 4.009 -6.030 180 1HB LEU 22 HB2 LEU 22 29.959 2.011 -3.844 181 2HB LEU 22 HB3 LEU 22 30.541 3.641 -3.574 182 HG LEU 22 HG LEU 22 27.897 2.910 -4.888 183 1HD1 LEU 22 1HD1 LEU 22 28.607 3.956 -2.128 184 2HD1 LEU 22 2HD1 LEU 22 26.954 3.801 -2.771 185 3HD1 LEU 22 3HD1 LEU 22 27.940 2.358 -2.508 186 1HD2 LEU 22 1HD2 LEU 22 29.123 5.595 -4.058 187 2HD2 LEU 22 2HD2 LEU 22 28.744 5.056 -5.707 188 3HD2 LEU 22 3HD2 LEU 22 27.439 5.370 -4.570 189 H VAL 23 H VAL 23 31.687 0.715 -4.953 190 HA VAL 23 HA VAL 23 34.209 1.577 -4.020 191 HB VAL 23 HB VAL 23 33.546 -1.147 -5.180 192 1HG1 VAL 23 1HG1 VAL 23 35.463 -1.928 -3.816 193 2HG1 VAL 23 2HG1 VAL 23 36.022 -0.747 -5.002 194 3HG1 VAL 23 3HG1 VAL 23 35.808 -0.264 -3.317 195 1HG2 VAL 23 1HG2 VAL 23 33.226 -1.796 -2.826 196 2HG2 VAL 23 2HG2 VAL 23 33.512 -0.125 -2.300 197 3HG2 VAL 23 3HG2 VAL 23 32.078 -0.533 -3.258 198 H GLN 24 H GLN 24 33.515 0.123 -7.295 199 HA GLN 24 HA GLN 24 36.214 0.623 -8.162 200 1HB GLN 24 HB2 GLN 24 35.441 0.214 -10.443 201 2HB GLN 24 HB3 GLN 24 35.030 -1.063 -9.294 202 1HG GLN 24 HG2 GLN 24 32.741 -0.452 -9.260 203 2HG GLN 24 HG3 GLN 24 33.030 1.078 -10.111 204 1HE2 GLN 24 2HE2 GLN 24 32.644 1.030 -12.315 205 2HE2 GLN 24 1HE2 GLN 24 32.580 -0.451 -13.257 206 H ALA 25 H ALA 25 33.324 2.737 -8.364 207 HA ALA 25 HA ALA 25 34.529 4.618 -10.163 208 1HB ALA 25 HB1 ALA 25 32.342 5.055 -8.089 209 2HB ALA 25 HB2 ALA 25 32.765 6.138 -9.432 210 3HB ALA 25 HB3 ALA 25 32.104 4.532 -9.776 211 H ILE 26 H ILE 26 34.347 4.466 -6.559 212 HA ILE 26 HA ILE 26 35.869 6.871 -6.130 213 HB ILE 26 HB ILE 26 35.322 4.420 -4.405 214 1HG1 ILE 26 2HG1 ILE 26 34.035 7.171 -4.257 215 2HG1 ILE 26 3HG1 ILE 26 33.337 5.875 -5.211 216 1HG2 ILE 26 1HG2 ILE 26 37.285 5.507 -3.495 217 2HG2 ILE 26 2HG2 ILE 26 36.560 7.107 -3.692 218 3HG2 ILE 26 3HG2 ILE 26 35.930 5.971 -2.483 219 1HD1 ILE 26 1HD1 ILE 26 33.255 4.403 -3.188 220 2HD1 ILE 26 2HD1 ILE 26 33.748 5.791 -2.200 221 3HD1 ILE 26 3HD1 ILE 26 32.226 5.845 -3.101 222 H PHE 27 H PHE 27 36.664 3.424 -6.241 223 HA PHE 27 HA PHE 27 39.598 3.883 -6.428 224 1HB PHE 27 HB2 PHE 27 38.719 3.714 -4.052 225 2HB PHE 27 HB3 PHE 27 38.177 2.093 -4.432 226 HD1 PHE 27 HD1 PHE 27 40.847 4.094 -3.169 227 HD2 PHE 27 HD2 PHE 27 39.971 0.338 -5.112 228 HE1 PHE 27 HE1 PHE 27 42.843 3.075 -2.128 229 HE2 PHE 27 HE2 PHE 27 41.955 -0.657 -4.093 230 HZ PHE 27 HZ PHE 27 43.433 0.706 -2.603 231 HA PRO 28 HA PRO 28 37.926 0.910 -9.600 232 1HB PRO 28 HB2 PRO 28 40.796 1.276 -10.355 233 2HB PRO 28 HB3 PRO 28 39.393 1.054 -11.443 234 1HG PRO 28 HG2 PRO 28 40.315 3.561 -11.012 235 2HG PRO 28 HG3 PRO 28 38.555 3.259 -10.877 236 1HD PRO 28 HD2 PRO 28 40.579 3.504 -8.644 237 2HD PRO 28 HD3 PRO 28 38.926 4.184 -8.758 238 H THR 29 H THR 29 37.685 -1.220 -9.045 239 HA THR 29 HA THR 29 39.366 -2.523 -7.150 240 HB THR 29 HB THR 29 37.823 -4.461 -7.832 241 HG1 THR 29 HG1 THR 29 37.513 -3.478 -9.954 242 1HG2 THR 29 1HG2 THR 29 35.846 -3.443 -6.795 243 2HG2 THR 29 2HG2 THR 29 37.316 -2.940 -5.938 244 3HG2 THR 29 3HG2 THR 29 36.510 -1.817 -7.059 245 HA PRO 30 HA PRO 30 42.293 -4.081 -10.311 246 1HB PRO 30 HB2 PRO 30 42.972 -5.877 -7.980 247 2HB PRO 30 HB3 PRO 30 44.076 -5.073 -9.130 248 1HG PRO 30 HG2 PRO 30 43.711 -4.006 -6.666 249 2HG PRO 30 HG3 PRO 30 43.681 -2.934 -8.099 250 1HD PRO 30 HD2 PRO 30 41.314 -4.082 -6.595 251 2HD PRO 30 HD3 PRO 30 41.612 -2.405 -7.143 252 H ASP 31 H ASP 31 40.420 -6.261 -8.100 253 HA ASP 31 HA ASP 31 39.459 -7.893 -10.293 254 1HB ASP 31 HB2 ASP 31 41.863 -8.686 -9.893 255 2HB ASP 31 HB3 ASP 31 41.397 -9.093 -8.245 256 HA PRO 32 HA PRO 32 36.315 -8.520 -7.047 257 1HB PRO 32 HB2 PRO 32 36.425 -11.360 -8.115 258 2HB PRO 32 HB3 PRO 32 34.992 -10.430 -7.581 259 1HG PRO 32 HG2 PRO 32 35.557 -10.567 -10.220 260 2HG PRO 32 HG3 PRO 32 35.156 -8.978 -9.502 261 1HD PRO 32 HD2 PRO 32 37.873 -10.087 -10.191 262 2HD PRO 32 HD3 PRO 32 37.231 -8.440 -10.444 263 H ALA 33 H ALA 33 38.893 -11.030 -7.438 264 HA ALA 33 HA ALA 33 38.813 -12.086 -4.829 265 1HB ALA 33 HB1 ALA 33 41.232 -11.735 -6.647 266 2HB ALA 33 HB2 ALA 33 41.084 -12.870 -5.291 267 3HB ALA 33 HB3 ALA 33 40.063 -13.076 -6.728 268 H ALA 34 H ALA 34 39.955 -8.932 -5.871 269 HA ALA 34 HA ALA 34 41.811 -8.473 -3.720 270 1HB ALA 34 HB1 ALA 34 41.715 -7.195 -5.904 271 2HB ALA 34 HB2 ALA 34 40.241 -6.399 -5.297 272 3HB ALA 34 HB3 ALA 34 41.772 -6.188 -4.438 273 H LEU 35 H LEU 35 38.279 -8.478 -3.920 274 HA LEU 35 HA LEU 35 37.686 -6.402 -2.188 275 1HB LEU 35 HB2 LEU 35 36.188 -8.993 -2.611 276 2HB LEU 35 HB3 LEU 35 35.517 -7.592 -1.765 277 HG LEU 35 HG LEU 35 36.513 -7.373 -4.636 278 1HD1 LEU 35 1HD1 LEU 35 34.760 -9.127 -4.531 279 2HD1 LEU 35 2HD1 LEU 35 33.697 -8.009 -3.653 280 3HD1 LEU 35 3HD1 LEU 35 34.164 -7.663 -5.332 281 1HD2 LEU 35 1HD2 LEU 35 34.536 -5.714 -3.021 282 2HD2 LEU 35 2HD2 LEU 35 36.192 -5.228 -3.440 283 3HD2 LEU 35 3HD2 LEU 35 34.992 -5.449 -4.713 284 H LYS 36 H LYS 36 38.805 -9.610 -1.257 285 HA LYS 36 HA LYS 36 38.009 -9.417 1.493 286 1HB LYS 36 HB2 LYS 36 39.424 -11.321 1.881 287 2HB LYS 36 HB3 LYS 36 38.493 -11.546 0.396 288 1HG LYS 36 HG2 LYS 36 40.493 -10.889 -0.938 289 2HG LYS 36 HG3 LYS 36 41.420 -10.730 0.558 290 1HD LYS 36 HD2 LYS 36 41.064 -13.087 1.099 291 2HD LYS 36 HD3 LYS 36 40.047 -13.309 -0.334 292 1HE LYS 36 HE2 LYS 36 42.972 -12.425 -0.443 293 2HE LYS 36 HE3 LYS 36 42.440 -14.108 -0.583 294 1HZ LYS 36 HZ1 LYS 36 42.767 -13.071 -2.710 295 2HZ LYS 36 HZ2 LYS 36 41.204 -13.548 -2.507 296 3HZ LYS 36 HZ3 LYS 36 41.592 -11.955 -2.400 297 H ASP 37 H ASP 37 40.590 -7.816 -0.207 298 HA ASP 37 HA ASP 37 42.573 -7.569 1.810 299 1HB ASP 37 HB2 ASP 37 43.010 -6.773 -0.435 300 2HB ASP 37 HB3 ASP 37 41.606 -5.693 -0.385 301 H ARG 38 H ARG 38 42.587 -6.435 3.746 302 HA ARG 38 HA ARG 38 40.243 -5.751 4.948 303 1HB ARG 38 HB2 ARG 38 42.317 -6.206 6.144 304 2HB ARG 38 HB3 ARG 38 43.017 -4.680 5.587 305 1HG ARG 38 HG2 ARG 38 42.269 -4.555 7.911 306 2HG ARG 38 HG3 ARG 38 41.390 -3.400 6.907 307 1HD ARG 38 HD2 ARG 38 39.428 -4.888 6.860 308 2HD ARG 38 HD3 ARG 38 40.320 -6.135 7.757 309 HE ARG 38 HE ARG 38 40.496 -3.901 9.359 310 1HH1 ARG 38 2HH2 ARG 38 37.824 -5.803 7.978 311 2HH1 ARG 38 1HH2 ARG 38 36.723 -5.411 9.267 312 1HH2 ARG 38 1HH1 ARG 38 39.041 -3.393 11.030 313 2HH2 ARG 38 2HH1 ARG 38 37.418 -4.023 11.022 314 H ARG 39 H ARG 39 42.438 -3.395 3.319 315 HA ARG 39 HA ARG 39 40.929 -1.072 4.061 316 1HB ARG 39 HB2 ARG 39 43.263 -1.008 3.216 317 2HB ARG 39 HB3 ARG 39 42.692 -1.487 1.607 318 1HG ARG 39 HG2 ARG 39 41.282 0.568 1.503 319 2HG ARG 39 HG3 ARG 39 41.880 1.039 3.108 320 1HD ARG 39 HD2 ARG 39 44.196 1.095 2.212 321 2HD ARG 39 HD3 ARG 39 43.578 0.615 0.610 322 HE ARG 39 HE ARG 39 42.176 2.924 1.503 323 1HH1 ARG 39 1HH2 ARG 39 45.382 1.976 0.372 324 2HH1 ARG 39 2HH2 ARG 39 45.789 3.548 -0.259 325 1HH2 ARG 39 1HH1 ARG 39 42.691 4.994 0.702 326 2HH2 ARG 39 2HH1 ARG 39 44.227 5.299 -0.062 327 H MET 40 H MET 40 40.877 -3.187 1.144 328 HA MET 40 HA MET 40 38.854 -1.748 -0.209 329 1HB MET 40 HB2 MET 40 40.313 -3.458 -1.221 330 2HB MET 40 HB3 MET 40 39.377 -4.732 -0.431 331 1HG MET 40 HG2 MET 40 37.466 -4.318 -1.675 332 2HG MET 40 HG3 MET 40 37.839 -2.639 -1.977 333 1HE MET 40 HE1 MET 40 40.543 -2.334 -3.092 334 2HE MET 40 HE2 MET 40 40.245 -2.464 -4.844 335 3HE MET 40 HE3 MET 40 39.082 -1.617 -3.792 336 H GLU 41 H GLU 41 38.626 -4.546 2.011 337 HA GLU 41 HA GLU 41 35.878 -4.957 2.103 338 1HB GLU 41 HB2 GLU 41 37.567 -6.423 3.111 339 2HB GLU 41 HB3 GLU 41 37.954 -5.187 4.313 340 1HG GLU 41 HG2 GLU 41 35.640 -5.360 5.230 341 2HG GLU 41 HG3 GLU 41 35.295 -6.635 4.047 342 H ASN 42 H ASN 42 37.853 -2.682 4.023 343 HA ASN 42 HA ASN 42 35.627 -1.553 5.476 344 1HB ASN 42 HB2 ASN 42 38.423 -0.539 4.892 345 2HB ASN 42 HB3 ASN 42 37.202 0.497 5.631 346 1HD2 ASN 42 2HD2 ASN 42 38.871 -2.654 6.068 347 2HD2 ASN 42 1HD2 ASN 42 38.677 -2.678 7.813 348 H LEU 43 H LEU 43 37.120 -0.684 2.327 349 HA LEU 43 HA LEU 43 35.462 1.616 1.950 350 1HB LEU 43 HB2 LEU 43 37.575 1.259 0.761 351 2HB LEU 43 HB3 LEU 43 36.879 -0.114 -0.107 352 HG LEU 43 HG LEU 43 35.276 1.352 -1.242 353 1HD1 LEU 43 1HD1 LEU 43 36.609 3.610 0.323 354 2HD1 LEU 43 2HD1 LEU 43 35.543 3.839 -1.078 355 3HD1 LEU 43 3HD1 LEU 43 34.895 3.133 0.401 356 1HD2 LEU 43 1HD2 LEU 43 38.124 2.438 -1.384 357 2HD2 LEU 43 2HD2 LEU 43 37.542 0.978 -2.207 358 3HD2 LEU 43 3HD2 LEU 43 36.864 2.565 -2.631 359 H VAL 44 H VAL 44 35.055 -1.804 1.084 360 HA VAL 44 HA VAL 44 32.581 -1.643 -0.325 361 HB VAL 44 HB VAL 44 33.941 -3.785 1.320 362 1HG1 VAL 44 1HG1 VAL 44 32.295 -5.400 0.342 363 2HG1 VAL 44 2HG1 VAL 44 31.558 -4.300 1.510 364 3HG1 VAL 44 3HG1 VAL 44 31.334 -4.021 -0.235 365 1HG2 VAL 44 1HG2 VAL 44 34.874 -3.115 -0.966 366 2HG2 VAL 44 2HG2 VAL 44 34.456 -4.824 -0.757 367 3HG2 VAL 44 3HG2 VAL 44 33.370 -3.750 -1.655 368 H ALA 45 H ALA 45 33.304 -2.163 3.179 369 HA ALA 45 HA ALA 45 30.630 -2.204 4.072 370 1HB ALA 45 HB1 ALA 45 33.076 -1.150 5.554 371 2HB ALA 45 HB2 ALA 45 31.535 -1.647 6.275 372 3HB ALA 45 HB3 ALA 45 32.561 -2.847 5.463 373 H TYR 46 H TYR 46 32.864 0.602 3.764 374 HA TYR 46 HA TYR 46 31.065 2.637 4.539 375 1HB TYR 46 HB2 TYR 46 33.456 3.026 4.166 376 2HB TYR 46 HB3 TYR 46 33.283 2.695 2.449 377 HD1 TYR 46 HD1 TYR 46 32.102 4.287 0.933 378 HD2 TYR 46 HD2 TYR 46 32.731 5.166 5.110 379 HE1 TYR 46 HE1 TYR 46 31.316 6.608 0.567 380 HE2 TYR 46 HE2 TYR 46 32.099 7.520 4.707 381 HH TYR 46 HH TYR 46 31.405 9.064 3.170 382 H ALA 47 H ALA 47 31.671 1.327 1.229 383 HA ALA 47 HA ALA 47 29.758 2.897 -0.122 384 1HB ALA 47 HB1 ALA 47 30.793 0.084 -0.700 385 2HB ALA 47 HB2 ALA 47 29.839 1.055 -1.825 386 3HB ALA 47 HB3 ALA 47 31.444 1.615 -1.312 387 H LYS 48 H LYS 48 29.319 -0.314 1.460 388 HA LYS 48 HA LYS 48 26.557 -0.624 0.829 389 1HB LYS 48 HB2 LYS 48 28.220 -1.597 3.184 390 2HB LYS 48 HB3 LYS 48 26.518 -2.019 2.951 391 1HG LYS 48 HG2 LYS 48 26.993 -3.027 0.793 392 2HG LYS 48 HG3 LYS 48 28.704 -2.560 0.905 393 1HD LYS 48 HD2 LYS 48 29.010 -3.957 2.888 394 2HD LYS 48 HD3 LYS 48 27.299 -4.415 2.886 395 1HE LYS 48 HE2 LYS 48 29.251 -4.999 0.603 396 2HE LYS 48 HE3 LYS 48 28.841 -6.145 1.886 397 1HZ LYS 48 HZ1 LYS 48 26.562 -6.033 1.175 398 2HZ LYS 48 HZ2 LYS 48 26.950 -4.985 -0.038 399 3HZ LYS 48 HZ3 LYS 48 27.542 -6.521 -0.056 400 H LYS 49 H LYS 49 28.113 0.841 3.719 401 HA LYS 49 HA LYS 49 25.781 1.588 5.081 402 1HB LYS 49 HB2 LYS 49 28.182 1.615 5.865 403 2HB LYS 49 HB3 LYS 49 28.392 3.147 5.025 404 1HG LYS 49 HG2 LYS 49 26.635 4.167 6.382 405 2HG LYS 49 HG3 LYS 49 26.321 2.616 7.194 406 1HD LYS 49 HD2 LYS 49 28.653 2.625 8.087 407 2HD LYS 49 HD3 LYS 49 28.966 4.151 7.246 408 1HE LYS 49 HE2 LYS 49 28.507 4.607 9.590 409 2HE LYS 49 HE3 LYS 49 27.193 5.266 8.603 410 1HZ LYS 49 HZ1 LYS 49 26.400 4.107 10.535 411 2HZ LYS 49 HZ2 LYS 49 25.894 3.340 9.169 412 3HZ LYS 49 HZ3 LYS 49 27.131 2.710 10.058 413 H VAL 50 H VAL 50 27.757 3.519 2.859 414 HA VAL 50 HA VAL 50 26.082 5.799 2.798 415 HB VAL 50 HB VAL 50 28.498 4.905 1.424 416 1HG1 VAL 50 1HG1 VAL 50 28.406 6.297 -0.534 417 2HG1 VAL 50 2HG1 VAL 50 27.236 4.980 -0.645 418 3HG1 VAL 50 3HG1 VAL 50 26.677 6.634 -0.274 419 1HG2 VAL 50 1HG2 VAL 50 28.386 6.718 3.082 420 2HG2 VAL 50 2HG2 VAL 50 28.984 7.322 1.522 421 3HG2 VAL 50 3HG2 VAL 50 27.316 7.650 2.004 422 H GLU 51 H GLU 51 26.109 2.982 0.476 423 HA GLU 51 HA GLU 51 23.975 3.899 -1.081 424 1HB GLU 51 HB2 GLU 51 25.396 2.014 -1.668 425 2HB GLU 51 HB3 GLU 51 24.721 1.051 -0.347 426 1HG GLU 51 HG2 GLU 51 23.012 2.260 -2.574 427 2HG GLU 51 HG3 GLU 51 23.761 0.682 -2.744 428 H GLY 52 H GLY 52 23.883 1.992 1.959 429 1HA GLY 52 HA2 GLY 52 21.105 1.698 2.246 430 2HA GLY 52 HA3 GLY 52 22.263 1.879 3.580 431 H ASP 53 H ASP 53 23.170 4.330 3.578 432 HA ASP 53 HA ASP 53 21.168 5.968 4.636 433 1HB ASP 53 HB2 ASP 53 23.584 6.315 4.989 434 2HB ASP 53 HB3 ASP 53 23.758 6.846 3.309 435 H MET 54 H MET 54 22.571 6.106 1.332 436 HA MET 54 HA MET 54 20.903 8.190 0.358 437 1HB MET 54 HB2 MET 54 22.203 5.870 -1.139 438 2HB MET 54 HB3 MET 54 21.438 7.264 -1.888 439 1HG MET 54 HG2 MET 54 24.002 7.153 -0.314 440 2HG MET 54 HG3 MET 54 23.691 7.818 -1.906 441 1HE MET 54 HE1 MET 54 25.111 10.825 -0.116 442 2HE MET 54 HE2 MET 54 25.544 9.119 0.210 443 3HE MET 54 HE3 MET 54 25.173 9.639 -1.457 444 H TYR 55 H TYR 55 20.398 4.637 0.408 445 HA TYR 55 HA TYR 55 18.006 4.667 -1.080 446 1HB TYR 55 HB2 TYR 55 19.439 2.666 -0.322 447 2HB TYR 55 HB3 TYR 55 18.533 2.717 1.186 448 HD1 TYR 55 HD1 TYR 55 15.891 2.668 0.964 449 HD2 TYR 55 HD2 TYR 55 18.607 1.491 -2.178 450 HE1 TYR 55 HE1 TYR 55 13.997 1.850 -0.384 451 HE2 TYR 55 HE2 TYR 55 16.693 0.714 -3.528 452 HH TYR 55 HH TYR 55 13.348 1.500 -2.611 453 H GLU 56 H GLU 56 18.435 4.808 2.542 454 HA GLU 56 HA GLU 56 15.668 5.131 3.061 455 1HB GLU 56 HB2 GLU 56 17.932 6.281 4.719 456 2HB GLU 56 HB3 GLU 56 16.312 5.804 5.236 457 1HG GLU 56 HG2 GLU 56 18.655 4.041 4.533 458 2HG GLU 56 HG3 GLU 56 17.710 4.076 5.991 459 H SER 57 H SER 57 18.204 7.543 2.401 460 HA SER 57 HA SER 57 16.638 9.857 2.952 461 1HB SER 57 HB2 SER 57 19.118 9.772 2.765 462 2HB SER 57 HB3 SER 57 18.968 9.526 1.014 463 HG SER 57 HG SER 57 19.289 11.732 1.583 464 H ALA 58 H ALA 58 17.226 8.111 -0.126 465 HA ALA 58 HA ALA 58 16.058 10.055 -1.797 466 1HB ALA 58 HB1 ALA 58 17.672 8.536 -2.613 467 2HB ALA 58 HB2 ALA 58 16.661 7.129 -2.239 468 3HB ALA 58 HB3 ALA 58 16.157 8.272 -3.508 469 H ASN 59 H ASN 59 13.996 10.679 -1.688 470 HA ASN 59 HA ASN 59 11.694 9.176 -1.089 471 1HB ASN 59 HB2 ASN 59 10.475 10.923 -2.377 472 2HB ASN 59 HB3 ASN 59 11.645 11.585 -1.232 473 1HD2 ASN 59 2HD2 ASN 59 11.009 11.052 -4.760 474 2HD2 ASN 59 1HD2 ASN 59 12.191 12.259 -5.238 475 H SER 60 H SER 60 13.575 9.256 -4.137 476 HA SER 60 HA SER 60 11.832 7.203 -5.309 477 1HB SER 60 HB2 SER 60 12.108 9.922 -6.627 478 2HB SER 60 HB3 SER 60 11.173 8.530 -7.207 479 HG SER 60 HG SER 60 10.167 8.808 -4.926 480 H ARG 61 H ARG 61 12.702 6.252 -7.166 481 HA ARG 61 HA ARG 61 15.327 5.559 -7.103 482 1HB ARG 61 HB2 ARG 61 13.578 4.372 -8.281 483 2HB ARG 61 HB3 ARG 61 13.474 5.642 -9.513 484 1HG ARG 61 HG2 ARG 61 15.719 5.122 -10.323 485 2HG ARG 61 HG3 ARG 61 15.988 3.997 -8.975 486 1HD ARG 61 HD2 ARG 61 14.102 2.641 -9.737 487 2HD ARG 61 HD3 ARG 61 13.853 3.710 -11.118 488 HE ARG 61 HE ARG 61 16.211 3.162 -11.818 489 1HH1 ARG 61 2HH2 ARG 61 14.269 0.756 -10.076 490 2HH1 ARG 61 1HH2 ARG 61 15.015 -0.612 -10.831 491 1HH2 ARG 61 1HH1 ARG 61 17.098 1.434 -12.885 492 2HH2 ARG 61 2HH1 ARG 61 16.662 -0.216 -12.484 493 H ASP 62 H ASP 62 13.947 8.140 -9.174 494 HA ASP 62 HA ASP 62 16.267 8.947 -10.546 495 1HB ASP 62 HB2 ASP 62 15.087 11.167 -10.647 496 2HB ASP 62 HB3 ASP 62 14.128 9.790 -11.193 497 H GLU 63 H GLU 63 15.083 9.927 -7.280 498 HA GLU 63 HA GLU 63 17.186 11.849 -6.886 499 1HB GLU 63 HB2 GLU 63 15.024 11.931 -5.652 500 2HB GLU 63 HB3 GLU 63 15.446 10.430 -4.806 501 1HG GLU 63 HG2 GLU 63 15.875 12.405 -3.420 502 2HG GLU 63 HG3 GLU 63 17.355 11.502 -3.736 503 H TYR 64 H TYR 64 16.620 8.457 -5.905 504 HA TYR 64 HA TYR 64 18.963 7.978 -4.440 505 1HB TYR 64 HB2 TYR 64 17.168 6.406 -4.518 506 2HB TYR 64 HB3 TYR 64 17.318 6.210 -6.245 507 HD1 TYR 64 HD1 TYR 64 19.302 5.703 -3.090 508 HD2 TYR 64 HD2 TYR 64 18.480 4.415 -7.126 509 HE1 TYR 64 HE1 TYR 64 20.416 3.540 -2.628 510 HE2 TYR 64 HE2 TYR 64 19.573 2.258 -6.658 511 HH TYR 64 HH TYR 64 20.848 1.410 -3.451 512 H TYR 65 H TYR 65 18.549 7.522 -8.002 513 HA TYR 65 HA TYR 65 21.308 6.929 -8.486 514 1HB TYR 65 HB2 TYR 65 18.978 7.817 -10.151 515 2HB TYR 65 HB3 TYR 65 20.579 8.132 -10.791 516 HD1 TYR 65 HD1 TYR 65 18.248 5.402 -9.818 517 HD2 TYR 65 HD2 TYR 65 22.124 6.388 -11.404 518 HE1 TYR 65 HE1 TYR 65 18.492 3.085 -10.655 519 HE2 TYR 65 HE2 TYR 65 22.341 4.081 -12.304 520 HH TYR 65 HH TYR 65 19.866 1.595 -11.733 521 H HIS 66 H HIS 66 19.555 10.090 -8.574 522 HA HIS 66 HA HIS 66 21.738 11.665 -9.310 523 1HB HIS 66 HB2 HIS 66 19.470 12.515 -9.281 524 2HB HIS 66 HB3 HIS 66 19.417 12.418 -7.518 525 HD2 HIS 66 HD2 HIS 66 20.534 14.369 -6.123 526 HE1 HIS 66 HE1 HIS 66 22.241 16.554 -9.352 527 HE2 HIS 66 HE2 HIS 66 21.787 16.555 -6.845 528 H LEU 67 H LEU 67 20.638 11.234 -5.854 529 HA LEU 67 HA LEU 67 22.961 12.649 -5.000 530 1HB LEU 67 HB2 LEU 67 22.408 11.980 -2.677 531 2HB LEU 67 HB3 LEU 67 21.295 13.011 -3.567 532 HG LEU 67 HG LEU 67 19.691 11.265 -3.822 533 1HD1 LEU 67 1HD1 LEU 67 21.809 9.486 -2.577 534 2HD1 LEU 67 2HD1 LEU 67 20.088 9.035 -2.651 535 3HD1 LEU 67 3HD1 LEU 67 21.006 9.306 -4.137 536 1HD2 LEU 67 1HD2 LEU 67 20.706 11.258 -0.965 537 2HD2 LEU 67 2HD2 LEU 67 19.698 12.528 -1.700 538 3HD2 LEU 67 3HD2 LEU 67 19.056 10.886 -1.516 539 H LEU 68 H LEU 68 22.540 9.185 -5.601 540 HA LEU 68 HA LEU 68 25.029 8.485 -4.305 541 1HB LEU 68 HB2 LEU 68 23.380 7.198 -6.501 542 2HB LEU 68 HB3 LEU 68 24.978 6.573 -6.094 543 HG LEU 68 HG LEU 68 22.838 6.947 -3.975 544 1HD1 LEU 68 1HD1 LEU 68 23.484 4.489 -5.659 545 2HD1 LEU 68 2HD1 LEU 68 22.525 4.480 -4.167 546 3HD1 LEU 68 3HD1 LEU 68 21.938 5.368 -5.595 547 1HD2 LEU 68 1HD2 LEU 68 24.197 5.396 -2.695 548 2HD2 LEU 68 2HD2 LEU 68 25.247 5.071 -4.078 549 3HD2 LEU 68 3HD2 LEU 68 25.314 6.638 -3.254 550 H ALA 69 H ALA 69 24.254 9.280 -7.745 551 HA ALA 69 HA ALA 69 26.933 9.197 -8.677 552 1HB ALA 69 HB1 ALA 69 24.632 10.982 -9.592 553 2HB ALA 69 HB2 ALA 69 26.119 10.637 -10.504 554 3HB ALA 69 HB3 ALA 69 24.967 9.330 -10.157 555 H GLU 70 H GLU 70 25.083 11.950 -7.252 556 HA GLU 70 HA GLU 70 27.135 13.858 -7.393 557 1HB GLU 70 HB2 GLU 70 24.748 14.304 -6.817 558 2HB GLU 70 HB3 GLU 70 25.004 13.518 -5.248 559 1HG GLU 70 HG2 GLU 70 25.070 15.921 -5.021 560 2HG GLU 70 HG3 GLU 70 26.656 15.255 -4.616 561 H LYS 71 H LYS 71 26.412 11.466 -4.731 562 HA LYS 71 HA LYS 71 28.472 12.356 -3.049 563 1HB LYS 71 HB2 LYS 71 26.667 10.932 -2.357 564 2HB LYS 71 HB3 LYS 71 27.270 9.589 -3.339 565 1HG LYS 71 HG2 LYS 71 27.810 9.275 -0.989 566 2HG LYS 71 HG3 LYS 71 29.292 9.467 -1.927 567 1HD LYS 71 HD2 LYS 71 29.572 11.740 -1.165 568 2HD LYS 71 HD3 LYS 71 27.955 11.749 -0.425 569 1HE LYS 71 HE2 LYS 71 28.717 9.997 1.187 570 2HE LYS 71 HE3 LYS 71 30.324 10.029 0.440 571 1HZ LYS 71 HZ1 LYS 71 29.018 12.288 1.777 572 2HZ LYS 71 HZ2 LYS 71 30.244 11.370 2.384 573 3HZ LYS 71 HZ3 LYS 71 30.505 12.322 1.066 574 H ILE 72 H ILE 72 28.541 9.817 -5.614 575 HA ILE 72 HA ILE 72 31.287 9.094 -5.360 576 HB ILE 72 HB ILE 72 29.532 9.304 -7.836 577 1HG1 ILE 72 2HG1 ILE 72 30.347 6.878 -6.204 578 2HG1 ILE 72 3HG1 ILE 72 28.758 7.675 -6.150 579 1HG2 ILE 72 1HG2 ILE 72 31.201 7.882 -8.955 580 2HG2 ILE 72 2HG2 ILE 72 31.854 9.439 -8.518 581 3HG2 ILE 72 3HG2 ILE 72 32.286 8.029 -7.539 582 1HD1 ILE 72 1HD1 ILE 72 29.949 6.114 -8.447 583 2HD1 ILE 72 2HD1 ILE 72 28.387 5.934 -7.640 584 3HD1 ILE 72 3HD1 ILE 72 28.662 7.320 -8.699 585 H TYR 73 H TYR 73 29.758 11.607 -7.379 586 HA TYR 73 HA TYR 73 31.969 12.707 -8.633 587 1HB TYR 73 HB2 TYR 73 29.479 13.082 -8.899 588 2HB TYR 73 HB3 TYR 73 29.598 14.288 -7.639 589 HD1 TYR 73 HD1 TYR 73 28.851 14.165 -10.808 590 HD2 TYR 73 HD2 TYR 73 32.119 15.750 -8.480 591 HE1 TYR 73 HE1 TYR 73 28.889 16.157 -12.214 592 HE2 TYR 73 HE2 TYR 73 32.156 17.752 -9.895 593 HH TYR 73 HH TYR 73 30.972 18.992 -11.464 594 H LYS 74 H LYS 74 30.506 13.753 -5.542 595 HA LYS 74 HA LYS 74 32.529 15.596 -4.792 596 1HB LYS 74 HB2 LYS 74 30.621 13.900 -3.113 597 2HB LYS 74 HB3 LYS 74 31.769 15.065 -2.440 598 1HG LYS 74 HG2 LYS 74 30.818 16.856 -3.871 599 2HG LYS 74 HG3 LYS 74 29.601 15.722 -4.478 600 1HD LYS 74 HD2 LYS 74 28.643 17.117 -2.737 601 2HD LYS 74 HD3 LYS 74 28.711 15.439 -2.171 602 1HE LYS 74 HE2 LYS 74 30.642 15.922 -0.761 603 2HE LYS 74 HE3 LYS 74 30.863 17.515 -1.499 604 1HZ LYS 74 HZ1 LYS 74 28.574 16.658 0.134 605 2HZ LYS 74 HZ2 LYS 74 29.803 17.641 0.620 606 3HZ LYS 74 HZ3 LYS 74 28.756 18.149 -0.545 607 H ILE 75 H ILE 75 32.285 12.110 -3.747 608 HA ILE 75 HA ILE 75 34.706 12.038 -2.266 609 HB ILE 75 HB ILE 75 33.482 9.852 -3.988 610 1HG1 ILE 75 2HG1 ILE 75 33.403 10.315 -0.951 611 2HG1 ILE 75 3HG1 ILE 75 32.106 10.837 -2.019 612 1HG2 ILE 75 1HG2 ILE 75 34.899 8.373 -2.467 613 2HG2 ILE 75 2HG2 ILE 75 35.855 9.375 -3.554 614 3HG2 ILE 75 3HG2 ILE 75 35.675 9.833 -1.848 615 1HD1 ILE 75 1HD1 ILE 75 31.817 8.467 -2.800 616 2HD1 ILE 75 2HD1 ILE 75 32.968 7.965 -1.536 617 3HD1 ILE 75 3HD1 ILE 75 31.453 8.735 -1.087 618 H GLN 76 H GLN 76 34.333 11.328 -5.781 619 HA GLN 76 HA GLN 76 37.107 11.136 -6.281 620 1HB GLN 76 HB2 GLN 76 34.696 11.809 -7.932 621 2HB GLN 76 HB3 GLN 76 36.276 12.089 -8.650 622 1HG GLN 76 HG2 GLN 76 35.384 9.398 -7.503 623 2HG GLN 76 HG3 GLN 76 35.397 9.836 -9.207 624 1HE2 GLN 76 2HE2 GLN 76 36.904 7.609 -8.496 625 2HE2 GLN 76 1HE2 GLN 76 38.590 8.024 -8.690 626 H LYS 77 H LYS 77 35.052 14.141 -6.599 627 HA LYS 77 HA LYS 77 37.228 15.730 -7.395 628 1HB LYS 77 HB2 LYS 77 34.607 16.309 -6.008 629 2HB LYS 77 HB3 LYS 77 35.702 17.638 -6.316 630 1HG LYS 77 HG2 LYS 77 34.847 15.802 -8.568 631 2HG LYS 77 HG3 LYS 77 33.829 17.123 -7.986 632 1HD LYS 77 HD2 LYS 77 35.030 17.894 -9.897 633 2HD LYS 77 HD3 LYS 77 35.541 18.796 -8.469 634 1HE LYS 77 HE2 LYS 77 37.653 17.608 -8.379 635 2HE LYS 77 HE3 LYS 77 37.106 16.433 -9.607 636 1HZ LYS 77 HZ1 LYS 77 38.557 18.045 -10.495 637 2HZ LYS 77 HZ2 LYS 77 37.064 18.226 -11.174 638 3HZ LYS 77 HZ3 LYS 77 37.584 19.293 -10.025 639 H GLU 78 H GLU 78 35.898 15.386 -4.146 640 HA GLU 78 HA GLU 78 37.640 17.102 -2.732 641 1HB GLU 78 HB2 GLU 78 36.251 14.554 -1.856 642 2HB GLU 78 HB3 GLU 78 36.906 15.767 -0.753 643 1HG GLU 78 HG2 GLU 78 35.225 17.418 -1.454 644 2HG GLU 78 HG3 GLU 78 34.692 16.415 -2.775 645 H LEU 79 H LEU 79 37.833 13.584 -3.378 646 HA LEU 79 HA LEU 79 40.233 13.198 -1.877 647 1HB LEU 79 HB2 LEU 79 38.341 11.643 -2.244 648 2HB LEU 79 HB3 LEU 79 38.872 11.435 -3.929 649 HG LEU 79 HG LEU 79 40.872 10.280 -3.178 650 1HD1 LEU 79 1HD1 LEU 79 39.852 10.854 -0.353 651 2HD1 LEU 79 2HD1 LEU 79 41.139 9.697 -0.755 652 3HD1 LEU 79 3HD1 LEU 79 41.384 11.418 -1.064 653 1HD2 LEU 79 1HD2 LEU 79 39.628 8.334 -2.150 654 2HD2 LEU 79 2HD2 LEU 79 38.245 9.422 -1.840 655 3HD2 LEU 79 3HD2 LEU 79 38.738 9.070 -3.499 656 H GLU 80 H GLU 80 39.528 13.541 -5.334 657 HA GLU 80 HA GLU 80 41.943 12.962 -6.597 658 1HB GLU 80 HB2 GLU 80 39.936 13.416 -7.804 659 2HB GLU 80 HB3 GLU 80 39.827 15.065 -7.156 660 1HG GLU 80 HG2 GLU 80 41.800 15.708 -8.455 661 2HG GLU 80 HG3 GLU 80 41.949 14.055 -9.081 662 H GLU 81 H GLU 81 40.930 16.081 -5.093 663 HA GLU 81 HA GLU 81 43.398 17.407 -5.602 664 1HB GLU 81 HB2 GLU 81 41.392 17.832 -3.365 665 2HB GLU 81 HB3 GLU 81 42.704 18.945 -3.781 666 1HG GLU 81 HG2 GLU 81 40.441 18.156 -5.660 667 2HG GLU 81 HG3 GLU 81 40.554 19.664 -4.758 668 H LYS 82 H LYS 82 42.502 15.207 -2.925 669 HA LYS 82 HA LYS 82 44.931 15.736 -1.416 670 1HB LYS 82 HB2 LYS 82 43.193 13.248 -1.292 671 2HB LYS 82 HB3 LYS 82 44.336 13.834 -0.088 672 1HG LYS 82 HG2 LYS 82 41.702 15.149 -0.883 673 2HG LYS 82 HG3 LYS 82 42.050 14.255 0.596 674 1HD LYS 82 HD2 LYS 82 43.750 15.998 1.227 675 2HD LYS 82 HD3 LYS 82 43.356 16.887 -0.255 676 1HE LYS 82 HE2 LYS 82 42.169 17.908 1.573 677 2HE LYS 82 HE3 LYS 82 41.003 17.133 0.488 678 1HZ LYS 82 HZ1 LYS 82 40.893 15.304 2.023 679 2HZ LYS 82 HZ2 LYS 82 42.010 16.006 3.013 680 3HZ LYS 82 HZ3 LYS 82 40.538 16.714 2.795 681 H ARG 83 H ARG 83 43.885 13.220 -3.716 682 HA ARG 83 HA ARG 83 46.215 11.632 -3.780 683 1HB ARG 83 HB2 ARG 83 44.170 12.312 -5.928 684 2HB ARG 83 HB3 ARG 83 45.441 11.109 -6.151 685 1HG ARG 83 HG2 ARG 83 44.588 9.686 -4.467 686 2HG ARG 83 HG3 ARG 83 43.513 10.926 -3.801 687 1HD ARG 83 HD2 ARG 83 42.072 10.871 -5.693 688 2HD ARG 83 HD3 ARG 83 43.199 9.871 -6.638 689 HE ARG 83 HE ARG 83 42.724 8.291 -4.493 690 1HH1 ARG 83 2HH2 ARG 83 40.467 9.956 -6.704 691 2HH1 ARG 83 1HH2 ARG 83 39.272 8.693 -6.593 692 1HH2 ARG 83 1HH1 ARG 83 41.163 6.642 -4.447 693 2HH2 ARG 83 2HH1 ARG 83 39.694 6.781 -5.388 694 H ARG 84 H ARG 84 45.385 14.514 -5.793 695 HA ARG 84 HA ARG 84 47.883 14.729 -7.119 696 1HB ARG 84 HB2 ARG 84 45.796 16.797 -6.325 697 2HB ARG 84 HB3 ARG 84 47.197 17.161 -7.346 698 1HG ARG 84 HG2 ARG 84 46.504 15.576 -9.008 699 2HG ARG 84 HG3 ARG 84 45.191 14.953 -8.014 700 1HD ARG 84 HD2 ARG 84 44.022 17.061 -8.070 701 2HD ARG 84 HD3 ARG 84 45.337 17.840 -8.978 702 HE ARG 84 HE ARG 84 44.718 15.723 -10.570 703 1HH1 ARG 84 1HH1 ARG 84 42.664 18.254 -9.117 704 2HH1 ARG 84 2HH1 ARG 84 41.523 18.221 -10.425 705 1HH2 ARG 84 2HH2 ARG 84 43.219 15.729 -12.268 706 2HH2 ARG 84 1HH2 ARG 84 41.838 16.793 -12.235 707 H SER 85 H SER 85 46.768 16.204 -4.065 708 HA SER 85 HA SER 85 49.319 17.498 -3.552 709 1HB SER 85 HB2 SER 85 47.006 17.016 -1.643 710 2HB SER 85 HB3 SER 85 48.306 18.207 -1.476 711 HG SER 85 HG SER 85 46.251 18.124 -3.432 712 H ARG 86 H ARG 86 49.939 14.820 -3.975 713 HA ARG 86 HA ARG 86 50.192 13.395 -1.450 714 1HB ARG 86 HB2 ARG 86 51.362 11.723 -2.693 715 2HB ARG 86 HB3 ARG 86 49.777 12.134 -3.355 716 1HG ARG 86 HG2 ARG 86 50.631 12.878 -5.310 717 2HG ARG 86 HG3 ARG 86 51.835 13.849 -4.474 718 1HD ARG 86 HD2 ARG 86 53.141 11.649 -4.057 719 2HD ARG 86 HD3 ARG 86 52.040 10.910 -5.222 720 HE ARG 86 HE ARG 86 53.172 11.962 -6.936 721 1HH1 ARG 86 1HH2 ARG 86 53.999 13.600 -3.878 722 2HH1 ARG 86 2HH2 ARG 86 55.354 14.449 -4.565 723 1HH2 ARG 86 2HH1 ARG 86 54.905 13.139 -7.826 724 2HH2 ARG 86 1HH1 ARG 86 55.850 14.223 -6.843 725 H LEU 87 H LEU 87 51.170 15.510 -0.621 726 HA LEU 87 HA LEU 87 54.168 15.521 -0.878 727 1HB LEU 87 HB2 LEU 87 52.247 17.873 -0.675 728 2HB LEU 87 HB3 LEU 87 54.009 17.991 -0.741 729 HG LEU 87 HG LEU 87 52.298 16.827 -2.996 730 1HD1 LEU 87 1HD1 LEU 87 52.639 18.973 -4.129 731 2HD1 LEU 87 2HD1 LEU 87 51.738 19.185 -2.619 732 3HD1 LEU 87 3HD1 LEU 87 53.459 19.620 -2.691 733 1HD2 LEU 87 1HD2 LEU 87 54.325 17.174 -4.354 734 2HD2 LEU 87 2HD2 LEU 87 55.202 17.771 -2.931 735 3HD2 LEU 87 3HD2 LEU 87 54.676 16.078 -3.012 736 1H LYS 88 H1 LYS 88 39.306 17.857 -16.759 737 2H LYS 88 H2 LYS 88 39.646 17.984 -15.148 738 3H LYS 88 H3 LYS 88 39.051 16.571 -15.764 739 HA LYS 88 HA LYS 88 37.379 17.701 -14.568 740 1HB LYS 88 HB2 LYS 88 36.520 19.877 -15.457 741 2HB LYS 88 HB3 LYS 88 38.104 19.930 -14.706 742 1HG LYS 88 HG2 LYS 88 39.269 20.099 -16.784 743 2HG LYS 88 HG3 LYS 88 37.818 19.766 -17.736 744 1HD LYS 88 HD2 LYS 88 36.784 21.880 -16.836 745 2HD LYS 88 HD3 LYS 88 38.263 22.173 -15.912 746 1HE LYS 88 HE2 LYS 88 38.322 23.519 -17.920 747 2HE LYS 88 HE3 LYS 88 39.567 22.268 -18.049 748 1HZ LYS 88 HZ1 LYS 88 38.307 22.541 -20.063 749 2HZ LYS 88 HZ2 LYS 88 38.077 21.030 -19.455 750 3HZ LYS 88 HZ3 LYS 88 36.900 22.175 -19.292 751 H GLU 89 H GLU 89 35.950 19.066 -17.173 752 HA GLU 89 HA GLU 89 33.920 18.039 -17.947 753 1HB GLU 89 HB2 GLU 89 35.341 19.392 -19.421 754 2HB GLU 89 HB3 GLU 89 36.156 17.961 -20.020 755 1HG GLU 89 HG2 GLU 89 33.940 17.102 -20.877 756 2HG GLU 89 HG3 GLU 89 33.179 18.593 -20.299 757 H LYS 90 H LYS 90 36.395 16.031 -19.530 758 HA LYS 90 HA LYS 90 34.605 13.925 -20.067 759 1HB LYS 90 HB2 LYS 90 37.640 13.890 -19.843 760 2HB LYS 90 HB3 LYS 90 36.654 12.588 -20.536 761 1HG LYS 90 HG2 LYS 90 35.707 14.227 -22.187 762 2HG LYS 90 HG3 LYS 90 36.842 15.446 -21.616 763 1HD LYS 90 HD2 LYS 90 37.507 12.750 -22.893 764 2HD LYS 90 HD3 LYS 90 37.656 14.334 -23.655 765 1HE LYS 90 HE2 LYS 90 39.310 13.287 -21.306 766 2HE LYS 90 HE3 LYS 90 39.850 13.524 -22.969 767 1HZ LYS 90 HZ1 LYS 90 38.965 15.654 -21.158 768 2HZ LYS 90 HZ2 LYS 90 40.521 15.320 -21.578 769 3HZ LYS 90 HZ3 LYS 90 39.461 15.864 -22.716 770 H ARG 91 H ARG 91 36.801 14.388 -17.317 771 HA ARG 91 HA ARG 91 36.380 11.694 -16.301 772 1HB ARG 91 HB2 ARG 91 37.874 12.095 -14.705 773 2HB ARG 91 HB3 ARG 91 38.341 13.372 -15.797 774 1HG ARG 91 HG2 ARG 91 38.452 14.201 -13.614 775 2HG ARG 91 HG3 ARG 91 37.095 15.027 -14.355 776 1HD ARG 91 HD2 ARG 91 37.011 14.135 -11.866 777 2HD ARG 91 HD3 ARG 91 35.571 14.082 -12.836 778 HE ARG 91 HE ARG 91 35.766 11.773 -13.175 779 1HH1 ARG 91 1HH2 ARG 91 38.390 12.904 -10.971 780 2HH1 ARG 91 2HH2 ARG 91 38.421 11.382 -10.125 781 1HH2 ARG 91 2HH1 ARG 91 36.169 9.752 -12.303 782 2HH2 ARG 91 1HH1 ARG 91 37.386 9.520 -11.076 783 H ILE 92 H ILE 92 34.985 14.885 -15.724 784 HA ILE 92 HA ILE 92 33.241 14.179 -13.570 785 HB ILE 92 HB ILE 92 32.895 16.278 -15.762 786 1HG1 ILE 92 2HG1 ILE 92 35.011 16.524 -14.420 787 2HG1 ILE 92 3HG1 ILE 92 33.895 17.882 -14.382 788 1HG2 ILE 92 1HG2 ILE 92 31.476 15.848 -13.145 789 2HG2 ILE 92 2HG2 ILE 92 31.436 17.396 -14.040 790 3HG2 ILE 92 3HG2 ILE 92 30.761 15.934 -14.764 791 1HD1 ILE 92 1HD1 ILE 92 33.171 17.335 -12.155 792 2HD1 ILE 92 2HD1 ILE 92 34.073 15.802 -12.159 793 3HD1 ILE 92 3HD1 ILE 92 34.939 17.349 -12.193 794 H LYS 93 H LYS 93 32.619 14.397 -17.098 795 HA LYS 93 HA LYS 93 29.918 13.545 -16.792 796 1HB LYS 93 HB2 LYS 93 31.709 13.603 -19.244 797 2HB LYS 93 HB3 LYS 93 29.955 13.396 -19.307 798 1HG LYS 93 HG2 LYS 93 31.132 15.827 -17.903 799 2HG LYS 93 HG3 LYS 93 31.092 15.752 -19.660 800 1HD LYS 93 HD2 LYS 93 29.199 16.973 -18.891 801 2HD LYS 93 HD3 LYS 93 28.631 15.467 -19.628 802 1HE LYS 93 HE2 LYS 93 28.121 14.525 -17.444 803 2HE LYS 93 HE3 LYS 93 28.997 15.838 -16.618 804 1HZ LYS 93 HZ1 LYS 93 26.665 16.135 -16.536 805 2HZ LYS 93 HZ2 LYS 93 27.330 17.338 -17.444 806 3HZ LYS 93 HZ3 LYS 93 26.527 16.097 -18.179 807 H GLU 94 H GLU 94 32.872 11.760 -17.769 808 HA GLU 94 HA GLU 94 31.620 9.234 -18.160 809 1HB GLU 94 HB2 GLU 94 34.398 9.991 -17.163 810 2HB GLU 94 HB3 GLU 94 33.906 8.334 -17.521 811 1HG GLU 94 HG2 GLU 94 33.731 10.580 -19.586 812 2HG GLU 94 HG3 GLU 94 35.133 9.527 -19.400 813 H LEU 95 H LEU 95 32.960 10.761 -15.160 814 HA LEU 95 HA LEU 95 32.444 8.585 -13.472 815 1HB LEU 95 HB2 LEU 95 33.844 10.531 -12.926 816 2HB LEU 95 HB3 LEU 95 32.407 11.564 -12.835 817 HG LEU 95 HG LEU 95 31.611 10.222 -10.880 818 1HD1 LEU 95 1HD1 LEU 95 32.637 8.037 -11.236 819 2HD1 LEU 95 2HD1 LEU 95 34.257 8.749 -11.398 820 3HD1 LEU 95 3HD1 LEU 95 33.463 8.715 -9.826 821 1HD2 LEU 95 1HD2 LEU 95 34.441 11.323 -10.701 822 2HD2 LEU 95 2HD2 LEU 95 32.946 12.270 -10.649 823 3HD2 LEU 95 3HD2 LEU 95 33.287 11.085 -9.369 824 H GLU 96 H GLU 96 30.304 11.423 -14.202 825 HA GLU 96 HA GLU 96 28.120 10.561 -12.587 826 1HB GLU 96 HB2 GLU 96 28.144 12.194 -15.157 827 2HB GLU 96 HB3 GLU 96 26.708 11.878 -14.158 828 1HG GLU 96 HG2 GLU 96 27.805 12.833 -12.200 829 2HG GLU 96 HG3 GLU 96 29.187 13.328 -13.204 830 H LEU 97 H LEU 97 28.705 10.114 -16.086 831 HA LEU 97 HA LEU 97 26.429 8.696 -16.745 832 1HB LEU 97 HB2 LEU 97 27.929 9.724 -18.373 833 2HB LEU 97 HB3 LEU 97 29.222 8.597 -17.943 834 HG LEU 97 HG LEU 97 27.918 6.706 -18.861 835 1HD1 LEU 97 1HD1 LEU 97 25.900 7.181 -20.242 836 2HD1 LEU 97 2HD1 LEU 97 25.607 7.514 -18.533 837 3HD1 LEU 97 3HD1 LEU 97 25.901 8.859 -19.659 838 1HD2 LEU 97 1HD2 LEU 97 29.513 7.951 -20.271 839 2HD2 LEU 97 2HD2 LEU 97 28.148 7.341 -21.222 840 3HD2 LEU 97 3HD2 LEU 97 28.218 9.058 -20.772 841 H LEU 98 H LEU 98 29.603 7.429 -15.705 842 HA LEU 98 HA LEU 98 29.280 4.715 -16.049 843 1HB LEU 98 HB2 LEU 98 31.357 5.732 -15.315 844 2HB LEU 98 HB3 LEU 98 30.618 6.270 -13.803 845 HG LEU 98 HG LEU 98 30.382 3.925 -13.056 846 1HD1 LEU 98 1HD1 LEU 98 30.189 2.742 -15.205 847 2HD1 LEU 98 2HD1 LEU 98 31.816 3.280 -15.677 848 3HD1 LEU 98 3HD1 LEU 98 31.605 2.142 -14.334 849 1HD2 LEU 98 1HD2 LEU 98 32.387 5.245 -12.494 850 2HD2 LEU 98 2HD2 LEU 98 32.777 3.525 -12.676 851 3HD2 LEU 98 3HD2 LEU 98 33.189 4.670 -13.971 852 H LEU 99 H LEU 99 28.293 6.622 -13.134 853 HA LEU 99 HA LEU 99 27.115 4.299 -11.908 854 1HB LEU 99 HB2 LEU 99 28.002 6.350 -10.739 855 2HB LEU 99 HB3 LEU 99 26.542 7.208 -11.204 856 HG LEU 99 HG LEU 99 26.443 6.409 -8.921 857 1HD1 LEU 99 1HD1 LEU 99 24.315 5.451 -8.823 858 2HD1 LEU 99 2HD1 LEU 99 24.321 6.422 -10.306 859 3HD1 LEU 99 3HD1 LEU 99 24.480 4.643 -10.382 860 1HD2 LEU 99 1HD2 LEU 99 26.525 3.525 -9.905 861 2HD2 LEU 99 2HD2 LEU 99 27.940 4.378 -9.266 862 3HD2 LEU 99 3HD2 LEU 99 26.517 4.114 -8.238 863 H MET 100 H MET 100 25.718 7.162 -13.565 864 HA MET 100 HA MET 100 23.004 6.530 -13.484 865 1HB MET 100 HB2 MET 100 24.588 7.702 -15.792 866 2HB MET 100 HB3 MET 100 22.825 7.685 -15.706 867 1HG MET 100 HG2 MET 100 24.601 9.032 -13.633 868 2HG MET 100 HG3 MET 100 23.840 9.838 -15.005 869 1HE MET 100 HE1 MET 100 23.627 10.853 -12.061 870 2HE MET 100 HE2 MET 100 22.848 11.637 -13.456 871 3HE MET 100 HE3 MET 100 21.901 11.287 -11.988 872 H SER 101 H SER 101 25.421 5.137 -15.684 873 HA SER 101 HA SER 101 23.613 3.741 -17.338 874 1HB SER 101 HB2 SER 101 26.520 3.112 -16.693 875 2HB SER 101 HB3 SER 101 25.586 2.432 -18.037 876 HG SER 101 HG SER 101 26.179 5.175 -17.601 877 H THR 102 H THR 102 24.697 2.872 -14.087 878 HA THR 102 HA THR 102 25.098 0.275 -14.118 879 HB THR 102 HB THR 102 23.338 1.481 -11.976 880 HG1 THR 102 HG1 THR 102 25.133 2.709 -12.106 881 1HG2 THR 102 1HG2 THR 102 23.583 -1.008 -11.807 882 2HG2 THR 102 2HG2 THR 102 25.338 -0.838 -12.009 883 3HG2 THR 102 3HG2 THR 102 24.547 -0.216 -10.559 884 H GLU 103 H GLU 103 21.578 1.259 -13.754 885 HA GLU 103 HA GLU 103 20.538 -1.285 -13.798 886 1HB GLU 103 HB2 GLU 103 18.510 -0.295 -14.866 887 2HB GLU 103 HB3 GLU 103 19.148 0.558 -13.462 888 1HG GLU 103 HG2 GLU 103 20.228 2.249 -15.010 889 2HG GLU 103 HG3 GLU 103 19.460 1.409 -16.371 890 H ASN 104 H ASN 104 21.701 0.459 -16.624 891 HA ASN 104 HA ASN 104 20.677 -1.387 -18.614 892 1HB ASN 104 HB2 ASN 104 23.041 0.494 -18.948 893 2HB ASN 104 HB3 ASN 104 22.040 -0.240 -20.198 894 1HD2 ASN 104 2HD2 ASN 104 22.152 2.179 -17.629 895 2HD2 ASN 104 1HD2 ASN 104 20.745 3.098 -18.169 896 H GLU 105 H GLU 105 23.798 -0.868 -16.987 897 HA GLU 105 HA GLU 105 25.299 -2.961 -18.217 898 1HB GLU 105 HB2 GLU 105 26.175 -1.032 -16.855 899 2HB GLU 105 HB3 GLU 105 25.559 -1.820 -15.401 900 1HG GLU 105 HG2 GLU 105 27.050 -3.810 -15.967 901 2HG GLU 105 HG3 GLU 105 27.749 -2.819 -17.256 902 H LEU 106 H LEU 106 23.356 -2.842 -15.248 903 HA LEU 106 HA LEU 106 23.715 -5.395 -14.220 904 1HB LEU 106 HB2 LEU 106 22.561 -3.430 -13.117 905 2HB LEU 106 HB3 LEU 106 21.186 -3.703 -14.170 906 HG LEU 106 HG LEU 106 21.116 -6.114 -13.156 907 1HD1 LEU 106 1HD1 LEU 106 21.972 -6.229 -10.842 908 2HD1 LEU 106 2HD1 LEU 106 23.324 -5.938 -11.952 909 3HD1 LEU 106 3HD1 LEU 106 22.650 -4.597 -10.994 910 1HD2 LEU 106 1HD2 LEU 106 20.447 -3.614 -11.561 911 2HD2 LEU 106 2HD2 LEU 106 19.409 -4.385 -12.778 912 3HD2 LEU 106 3HD2 LEU 106 19.763 -5.226 -11.256 913 H LYS 107 H LYS 107 20.870 -4.303 -16.235 914 HA LYS 107 HA LYS 107 19.956 -6.962 -16.619 915 1HB LYS 107 HB2 LYS 107 18.483 -6.157 -18.290 916 2HB LYS 107 HB3 LYS 107 18.541 -5.044 -16.920 917 1HG LYS 107 HG2 LYS 107 20.078 -3.567 -18.267 918 2HG LYS 107 HG3 LYS 107 19.893 -4.674 -19.633 919 1HD LYS 107 HD2 LYS 107 18.413 -2.875 -20.026 920 2HD LYS 107 HD3 LYS 107 17.407 -4.260 -19.571 921 1HE LYS 107 HE2 LYS 107 17.149 -3.329 -17.282 922 2HE LYS 107 HE3 LYS 107 18.272 -2.014 -17.675 923 1HZ LYS 107 HZ1 LYS 107 16.008 -1.330 -17.832 924 2HZ LYS 107 HZ2 LYS 107 16.714 -1.266 -19.319 925 3HZ LYS 107 HZ3 LYS 107 15.674 -2.491 -18.952 926 H GLY 108 H GLY 108 22.127 -4.945 -18.623 927 1HA GLY 108 HA2 GLY 108 22.540 -6.646 -20.799 928 2HA GLY 108 HA3 GLY 108 23.703 -5.477 -20.153 929 H GLN 109 H GLN 109 23.842 -6.942 -17.492 930 HA GLN 109 HA GLN 109 25.442 -9.341 -18.356 931 1HB GLN 109 HB2 GLN 109 25.854 -7.433 -16.028 932 2HB GLN 109 HB3 GLN 109 26.879 -8.820 -16.422 933 1HG GLN 109 HG2 GLN 109 26.502 -6.402 -18.266 934 2HG GLN 109 HG3 GLN 109 27.806 -6.607 -17.108 935 1HE2 GLN 109 2HE2 GLN 109 26.330 -8.222 -20.025 936 2HE2 GLN 109 1HE2 GLN 109 27.871 -8.879 -20.543 937 H GLN 110 H GLN 110 22.454 -8.997 -17.432 938 HA GLN 110 HA GLN 110 22.470 -10.360 -14.880 939 1HB GLN 110 HB2 GLN 110 20.691 -8.809 -15.635 940 2HB GLN 110 HB3 GLN 110 20.165 -10.016 -16.824 941 1HG GLN 110 HG2 GLN 110 19.922 -11.623 -14.806 942 2HG GLN 110 HG3 GLN 110 20.206 -10.219 -13.776 943 1HE2 GLN 110 2HE2 GLN 110 17.806 -12.102 -15.194 944 2HE2 GLN 110 1HE2 GLN 110 16.506 -10.913 -15.153 945 H ALA 111 H ALA 111 23.985 -12.069 -15.602 946 HA ALA 111 HA ALA 111 23.003 -14.281 -17.215 947 1HB ALA 111 HB1 ALA 111 24.936 -15.483 -16.295 948 2HB ALA 111 HB2 ALA 111 25.402 -13.860 -16.841 949 3HB ALA 111 HB3 ALA 111 25.199 -14.188 -15.106 950 H LEU 112 H LEU 112 20.808 -13.882 -15.888 951 HA LEU 112 HA LEU 112 20.403 -16.192 -14.200 952 1HB LEU 112 HB2 LEU 112 21.375 -14.646 -12.526 953 2HB LEU 112 HB3 LEU 112 20.228 -13.391 -13.001 954 HG LEU 112 HG LEU 112 18.346 -14.795 -12.164 955 1HD1 LEU 112 1HD1 LEU 112 19.273 -17.059 -12.431 956 2HD1 LEU 112 2HD1 LEU 112 20.577 -16.687 -11.282 957 3HD1 LEU 112 3HD1 LEU 112 18.891 -16.772 -10.732 958 1HD2 LEU 112 1HD2 LEU 112 19.433 -13.128 -10.710 959 2HD2 LEU 112 2HD2 LEU 112 18.872 -14.525 -9.776 960 3HD2 LEU 112 3HD2 LEU 112 20.598 -14.352 -10.161 Start of MODEL 10 1 1H GLY 1 H1 GLY 1 -0.033 4.287 -2.299 2 2H GLY 1 H2 GLY 1 0.561 3.050 -1.376 3 3H GLY 1 H3 GLY 1 1.424 4.440 -1.539 4 1HA GLY 1 HA2 GLY 1 1.844 4.045 -3.824 5 2HA GLY 1 HA3 GLY 1 2.348 2.656 -2.850 6 H VAL 2 H VAL 2 0.027 3.876 -5.151 7 HA VAL 2 HA VAL 2 -1.983 2.049 -5.283 8 HB VAL 2 HB VAL 2 -1.983 2.543 -7.788 9 1HG1 VAL 2 1HG1 VAL 2 -2.662 4.898 -7.421 10 2HG1 VAL 2 2HG1 VAL 2 -3.346 3.792 -6.228 11 3HG1 VAL 2 3HG1 VAL 2 -1.978 4.836 -5.783 12 1HG2 VAL 2 1HG2 VAL 2 0.465 3.074 -8.080 13 2HG2 VAL 2 2HG2 VAL 2 -0.610 4.365 -8.609 14 3HG2 VAL 2 3HG2 VAL 2 0.243 4.514 -7.070 15 H ARG 3 H ARG 3 -1.770 -0.110 -5.040 16 HA ARG 3 HA ARG 3 -0.635 -1.616 -7.254 17 1HB ARG 3 HB2 ARG 3 1.015 -2.856 -6.073 18 2HB ARG 3 HB3 ARG 3 1.343 -1.137 -5.820 19 1HG ARG 3 HG2 ARG 3 0.024 -1.396 -3.599 20 2HG ARG 3 HG3 ARG 3 0.164 -3.147 -3.868 21 1HD ARG 3 HD2 ARG 3 2.610 -2.965 -3.971 22 2HD ARG 3 HD3 ARG 3 2.522 -1.216 -3.747 23 HE ARG 3 HE ARG 3 2.291 -3.289 -1.734 24 1HH1 ARG 3 1HH1 ARG 3 1.201 0.030 -2.488 25 2HH1 ARG 3 2HH1 ARG 3 1.350 0.569 -0.841 26 1HH2 ARG 3 1HH2 ARG 3 2.373 -2.580 0.427 27 2HH2 ARG 3 2HH2 ARG 3 2.150 -0.890 0.799 28 H LYS 4 H LYS 4 -2.418 -1.692 -4.154 29 HA LYS 4 HA LYS 4 -3.109 -4.507 -4.518 30 1HB LYS 4 HB2 LYS 4 -4.347 -2.396 -2.748 31 2HB LYS 4 HB3 LYS 4 -5.035 -3.999 -3.018 32 1HG LYS 4 HG2 LYS 4 -3.886 -4.302 -1.046 33 2HG LYS 4 HG3 LYS 4 -2.843 -5.032 -2.266 34 1HD LYS 4 HD2 LYS 4 -1.534 -2.961 -2.294 35 2HD LYS 4 HD3 LYS 4 -2.622 -2.220 -1.100 36 1HE LYS 4 HE2 LYS 4 -0.482 -3.001 -0.108 37 2HE LYS 4 HE3 LYS 4 -1.939 -3.643 0.643 38 1HZ LYS 4 HZ1 LYS 4 -0.343 -5.086 -1.364 39 2HZ LYS 4 HZ2 LYS 4 -0.200 -5.290 0.265 40 3HZ LYS 4 HZ3 LYS 4 -1.610 -5.688 -0.485 41 H GLY 5 H GLY 5 -5.038 -5.273 -5.558 42 1HA GLY 5 HA2 GLY 5 -5.987 -4.097 -7.830 43 2HA GLY 5 HA3 GLY 5 -6.937 -5.240 -6.868 44 H TRP 6 H TRP 6 -7.284 -3.584 -4.570 45 HA TRP 6 HA TRP 6 -9.587 -2.082 -5.439 46 1HB TRP 6 HB2 TRP 6 -10.020 -1.743 -3.145 47 2HB TRP 6 HB3 TRP 6 -9.457 -3.398 -3.324 48 HD1 TRP 6 HD1 TRP 6 -7.128 -3.999 -2.132 49 HE1 TRP 6 HE1 TRP 6 -5.672 -2.790 -0.350 50 HE3 TRP 6 HE3 TRP 6 -9.391 0.588 -2.166 51 HZ2 TRP 6 HZ2 TRP 6 -5.534 -0.232 0.870 52 HZ3 TRP 6 HZ3 TRP 6 -8.559 2.394 -0.672 53 HH2 TRP 6 HH2 TRP 6 -6.625 2.006 0.804 54 H HIS 7 H HIS 7 -6.239 -1.154 -4.823 55 HA HIS 7 HA HIS 7 -6.596 1.564 -4.050 56 1HB HIS 7 HB2 HIS 7 -4.392 0.231 -5.722 57 2HB HIS 7 HB3 HIS 7 -4.356 1.889 -5.179 58 HD2 HIS 7 HD2 HIS 7 -5.536 1.128 -2.136 59 HE1 HIS 7 HE1 HIS 7 -1.505 -0.146 -1.786 60 HE2 HIS 7 HE2 HIS 7 -3.594 0.502 -0.494 61 H GLU 8 H GLU 8 -6.392 0.054 -7.251 62 HA GLU 8 HA GLU 8 -6.583 1.959 -9.089 63 1HB GLU 8 HB2 GLU 8 -6.682 -0.614 -9.185 64 2HB GLU 8 HB3 GLU 8 -8.414 -0.458 -8.875 65 1HG GLU 8 HG2 GLU 8 -8.564 0.951 -10.955 66 2HG GLU 8 HG3 GLU 8 -6.817 0.684 -11.162 67 H HIS 9 H HIS 9 -9.196 1.071 -6.833 68 HA HIS 9 HA HIS 9 -11.193 2.602 -8.347 69 1HB HIS 9 HB2 HIS 9 -11.484 0.958 -5.817 70 2HB HIS 9 HB3 HIS 9 -12.753 1.454 -6.946 71 HD2 HIS 9 HD2 HIS 9 -10.917 0.510 -9.593 72 HE1 HIS 9 HE1 HIS 9 -11.122 -3.349 -7.845 73 HE2 HIS 9 HE2 HIS 9 -10.530 -2.026 -9.960 74 H VAL 10 H VAL 10 -9.008 3.297 -5.766 75 HA VAL 10 HA VAL 10 -10.933 5.186 -4.456 76 HB VAL 10 HB VAL 10 -8.554 3.634 -3.394 77 1HG1 VAL 10 1HG1 VAL 10 -9.078 4.710 -1.208 78 2HG1 VAL 10 2HG1 VAL 10 -8.441 5.852 -2.386 79 3HG1 VAL 10 3HG1 VAL 10 -10.181 5.829 -2.031 80 1HG2 VAL 10 1HG2 VAL 10 -10.366 2.792 -1.838 81 2HG2 VAL 10 2HG2 VAL 10 -11.546 3.703 -2.769 82 3HG2 VAL 10 3HG2 VAL 10 -10.650 2.368 -3.531 83 H THR 11 H THR 11 -10.699 7.192 -5.274 84 HA THR 11 HA THR 11 -8.306 8.029 -6.607 85 HB THR 11 HB THR 11 -9.574 10.186 -6.743 86 HG1 THR 11 HG1 THR 11 -11.670 10.211 -5.850 87 1HG2 THR 11 1HG2 THR 11 -11.209 7.738 -7.508 88 2HG2 THR 11 2HG2 THR 11 -11.337 9.374 -8.196 89 3HG2 THR 11 3HG2 THR 11 -9.848 8.434 -8.425 90 H GLN 12 H GLN 12 -7.124 9.914 -6.176 91 HA GLN 12 HA GLN 12 -6.068 10.360 -3.605 92 1HB GLN 12 HB2 GLN 12 -6.207 12.130 -6.080 93 2HB GLN 12 HB3 GLN 12 -5.330 12.540 -4.610 94 1HG GLN 12 HG2 GLN 12 -3.685 11.671 -5.983 95 2HG GLN 12 HG3 GLN 12 -4.037 10.362 -4.849 96 1HE2 GLN 12 2HE2 GLN 12 -2.664 9.558 -6.973 97 2HE2 GLN 12 1HE2 GLN 12 -3.691 8.803 -8.180 98 H ASP 13 H ASP 13 -8.729 12.100 -5.337 99 HA ASP 13 HA ASP 13 -9.243 13.946 -3.244 100 1HB ASP 13 HB2 ASP 13 -11.530 14.087 -4.309 101 2HB ASP 13 HB3 ASP 13 -10.144 14.498 -5.320 102 H LEU 14 H LEU 14 -10.690 10.629 -3.808 103 HA LEU 14 HA LEU 14 -12.384 10.797 -1.534 104 1HB LEU 14 HB2 LEU 14 -12.718 9.104 -3.195 105 2HB LEU 14 HB3 LEU 14 -11.116 8.413 -2.918 106 HG LEU 14 HG LEU 14 -11.753 7.600 -0.745 107 1HD1 LEU 14 1HD1 LEU 14 -13.280 9.379 0.053 108 2HD1 LEU 14 2HD1 LEU 14 -14.475 8.915 -1.177 109 3HD1 LEU 14 3HD1 LEU 14 -14.060 7.801 0.140 110 1HD2 LEU 14 1HD2 LEU 14 -13.446 5.964 -1.395 111 2HD2 LEU 14 2HD2 LEU 14 -13.988 7.003 -2.730 112 3HD2 LEU 14 3HD2 LEU 14 -12.376 6.270 -2.774 113 H ARG 15 H ARG 15 -9.006 9.576 -1.857 114 HA ARG 15 HA ARG 15 -8.551 8.914 0.840 115 1HB ARG 15 HB2 ARG 15 -6.643 10.156 -1.168 116 2HB ARG 15 HB3 ARG 15 -6.148 9.485 0.388 117 1HG ARG 15 HG2 ARG 15 -6.826 7.259 -0.242 118 2HG ARG 15 HG3 ARG 15 -7.642 7.852 -1.679 119 1HD ARG 15 HD2 ARG 15 -4.983 8.795 -1.937 120 2HD ARG 15 HD3 ARG 15 -4.825 7.151 -1.300 121 HE ARG 15 HE ARG 15 -6.701 6.982 -3.373 122 1HH1 ARG 15 1HH2 ARG 15 -3.306 7.936 -3.095 123 2HH1 ARG 15 2HH2 ARG 15 -2.934 7.552 -4.756 124 1HH2 ARG 15 1HH1 ARG 15 -6.231 6.439 -5.463 125 2HH2 ARG 15 2HH1 ARG 15 -4.642 6.699 -6.156 126 H SER 16 H SER 16 -8.202 12.099 -0.771 127 HA SER 16 HA SER 16 -7.314 13.570 1.471 128 1HB SER 16 HB2 SER 16 -8.990 14.560 -0.857 129 2HB SER 16 HB3 SER 16 -8.037 15.550 0.247 130 HG SER 16 HG SER 16 -7.029 13.528 -1.492 131 H HIS 17 H HIS 17 -10.677 12.981 0.296 132 HA HIS 17 HA HIS 17 -11.884 14.613 2.306 133 1HB HIS 17 HB2 HIS 17 -12.832 13.682 0.079 134 2HB HIS 17 HB3 HIS 17 -13.275 12.256 1.017 135 HD2 HIS 17 HD2 HIS 17 -14.841 13.042 3.387 136 HE1 HIS 17 HE1 HIS 17 -16.764 16.119 1.159 137 HE2 HIS 17 HE2 HIS 17 -16.918 14.659 3.228 138 H LEU 18 H LEU 18 -11.194 11.092 2.168 139 HA LEU 18 HA LEU 18 -12.284 10.414 4.730 140 1HB LEU 18 HB2 LEU 18 -10.098 9.276 2.993 141 2HB LEU 18 HB3 LEU 18 -10.563 8.501 4.525 142 HG LEU 18 HG LEU 18 -12.428 8.999 2.164 143 1HD1 LEU 18 1HD1 LEU 18 -12.151 6.586 1.704 144 2HD1 LEU 18 2HD1 LEU 18 -10.595 7.432 1.590 145 3HD1 LEU 18 3HD1 LEU 18 -10.982 6.462 3.034 146 1HD2 LEU 18 1HD2 LEU 18 -13.836 7.282 3.271 147 2HD2 LEU 18 2HD2 LEU 18 -12.729 7.276 4.659 148 3HD2 LEU 18 3HD2 LEU 18 -13.670 8.733 4.268 149 H VAL 19 H VAL 19 -8.942 11.399 3.807 150 HA VAL 19 HA VAL 19 -7.837 11.555 6.390 151 HB VAL 19 HB VAL 19 -7.320 12.988 3.792 152 1HG1 VAL 19 1HG1 VAL 19 -5.351 14.040 4.612 153 2HG1 VAL 19 2HG1 VAL 19 -6.701 14.654 5.562 154 3HG1 VAL 19 3HG1 VAL 19 -5.607 13.423 6.246 155 1HG2 VAL 19 1HG2 VAL 19 -5.219 11.705 3.896 156 2HG2 VAL 19 2HG2 VAL 19 -5.668 11.052 5.488 157 3HG2 VAL 19 3HG2 VAL 19 -6.608 10.631 4.045 158 H HIS 20 H HIS 20 -9.804 14.061 4.640 159 HA HIS 20 HA HIS 20 -9.746 15.913 6.781 160 1HB HIS 20 HB2 HIS 20 -10.655 16.425 4.507 161 2HB HIS 20 HB3 HIS 20 -12.091 15.485 4.917 162 HD2 HIS 20 HD2 HIS 20 -13.376 17.841 4.450 163 HE1 HIS 20 HE1 HIS 20 -12.234 19.683 8.119 164 HE2 HIS 20 HE2 HIS 20 -13.816 19.830 6.129 165 H LYS 21 H LYS 21 -12.089 13.200 6.185 166 HA LYS 21 HA LYS 21 -13.617 13.563 8.542 167 1HB LYS 21 HB2 LYS 21 -12.865 10.894 7.304 168 2HB LYS 21 HB3 LYS 21 -14.101 11.178 8.517 169 1HG LYS 21 HG2 LYS 21 -14.180 12.312 5.697 170 2HG LYS 21 HG3 LYS 21 -14.991 10.853 6.249 171 1HD LYS 21 HD2 LYS 21 -16.225 12.219 7.984 172 2HD LYS 21 HD3 LYS 21 -15.508 13.676 7.274 173 1HE LYS 21 HE2 LYS 21 -17.744 13.404 6.412 174 2HE LYS 21 HE3 LYS 21 -16.593 13.142 5.097 175 1HZ LYS 21 HZ1 LYS 21 -18.397 11.558 5.164 176 2HZ LYS 21 HZ2 LYS 21 -16.941 10.799 5.310 177 3HZ LYS 21 HZ3 LYS 21 -17.909 10.999 6.629 178 H LEU 22 H LEU 22 -10.465 11.855 8.170 179 HA LEU 22 HA LEU 22 -10.253 11.095 10.923 180 1HB LEU 22 HB2 LEU 22 -8.007 11.897 9.059 181 2HB LEU 22 HB3 LEU 22 -7.832 11.094 10.602 182 HG LEU 22 HG LEU 22 -9.131 9.932 8.106 183 1HD1 LEU 22 1HD1 LEU 22 -6.594 9.318 9.638 184 2HD1 LEU 22 2HD1 LEU 22 -7.168 8.409 8.227 185 3HD1 LEU 22 3HD1 LEU 22 -6.672 10.105 8.047 186 1HD2 LEU 22 1HD2 LEU 22 -9.160 7.802 9.491 187 2HD2 LEU 22 2HD2 LEU 22 -8.751 8.776 10.917 188 3HD2 LEU 22 3HD2 LEU 22 -10.278 9.042 10.048 189 H VAL 23 H VAL 23 -9.113 14.117 9.297 190 HA VAL 23 HA VAL 23 -8.132 15.323 11.669 191 HB VAL 23 HB VAL 23 -9.329 16.707 9.255 192 1HG1 VAL 23 1HG1 VAL 23 -7.991 18.670 10.075 193 2HG1 VAL 23 2HG1 VAL 23 -9.320 18.261 11.161 194 3HG1 VAL 23 3HG1 VAL 23 -7.657 17.799 11.579 195 1HG2 VAL 23 1HG2 VAL 23 -6.434 16.153 10.065 196 2HG2 VAL 23 2HG2 VAL 23 -7.301 15.309 8.771 197 3HG2 VAL 23 3HG2 VAL 23 -6.967 17.037 8.621 198 H GLN 24 H GLN 24 -11.480 15.432 10.321 199 HA GLN 24 HA GLN 24 -12.616 16.954 12.456 200 1HB GLN 24 HB2 GLN 24 -13.945 14.712 10.863 201 2HB GLN 24 HB3 GLN 24 -14.764 15.946 11.820 202 1HG GLN 24 HG2 GLN 24 -13.168 16.437 9.266 203 2HG GLN 24 HG3 GLN 24 -14.914 16.449 9.440 204 1HE2 GLN 24 2HE2 GLN 24 -15.875 18.459 9.915 205 2HE2 GLN 24 1HE2 GLN 24 -14.938 19.858 10.428 206 H ALA 25 H ALA 25 -12.196 13.393 12.199 207 HA ALA 25 HA ALA 25 -13.440 12.750 14.654 208 1HB ALA 25 HB1 ALA 25 -12.100 10.679 14.552 209 2HB ALA 25 HB2 ALA 25 -12.852 11.075 12.982 210 3HB ALA 25 HB3 ALA 25 -11.119 11.358 13.250 211 H ILE 26 H ILE 26 -10.008 13.573 13.980 212 HA ILE 26 HA ILE 26 -9.170 13.289 16.721 213 HB ILE 26 HB ILE 26 -7.980 14.810 14.354 214 1HG1 ILE 26 2HG1 ILE 26 -7.129 12.122 15.490 215 2HG1 ILE 26 3HG1 ILE 26 -8.283 12.251 14.161 216 1HG2 ILE 26 1HG2 ILE 26 -6.697 14.035 17.013 217 2HG2 ILE 26 2HG2 ILE 26 -5.824 14.709 15.624 218 3HG2 ILE 26 3HG2 ILE 26 -7.023 15.685 16.451 219 1HD1 ILE 26 1HD1 ILE 26 -5.400 13.191 14.073 220 2HD1 ILE 26 2HD1 ILE 26 -6.147 11.842 13.203 221 3HD1 ILE 26 3HD1 ILE 26 -6.613 13.506 12.810 222 H PHE 27 H PHE 27 -10.336 16.006 14.753 223 HA PHE 27 HA PHE 27 -10.754 17.766 17.073 224 1HB PHE 27 HB2 PHE 27 -8.337 17.874 16.629 225 2HB PHE 27 HB3 PHE 27 -8.668 18.251 14.941 226 HD1 PHE 27 HD1 PHE 27 -9.188 20.501 14.258 227 HD2 PHE 27 HD2 PHE 27 -8.929 19.519 18.447 228 HE1 PHE 27 HE1 PHE 27 -9.033 22.887 14.792 229 HE2 PHE 27 HE2 PHE 27 -8.769 21.934 18.993 230 HZ PHE 27 HZ PHE 27 -8.849 23.634 17.178 231 HA PRO 28 HA PRO 28 -13.916 18.174 13.708 232 1HB PRO 28 HB2 PRO 28 -15.111 19.648 16.025 233 2HB PRO 28 HB3 PRO 28 -15.939 18.636 14.810 234 1HG PRO 28 HG2 PRO 28 -15.361 17.588 17.234 235 2HG PRO 28 HG3 PRO 28 -14.957 16.637 15.773 236 1HD PRO 28 HD2 PRO 28 -13.108 18.356 17.447 237 2HD PRO 28 HD3 PRO 28 -12.845 16.708 16.801 238 H THR 29 H THR 29 -12.790 19.530 12.287 239 HA THR 29 HA THR 29 -12.137 22.259 13.042 240 HB THR 29 HB THR 29 -11.706 20.730 10.459 241 HG1 THR 29 HG1 THR 29 -10.749 19.912 12.520 242 1HG2 THR 29 1HG2 THR 29 -9.942 22.313 9.994 243 2HG2 THR 29 2HG2 THR 29 -11.472 23.174 10.171 244 3HG2 THR 29 3HG2 THR 29 -10.269 23.196 11.494 245 HA PRO 30 HA PRO 30 -16.025 23.749 11.712 246 1HB PRO 30 HB2 PRO 30 -15.443 26.401 10.996 247 2HB PRO 30 HB3 PRO 30 -15.669 25.774 12.655 248 1HG PRO 30 HG2 PRO 30 -13.087 26.204 11.145 249 2HG PRO 30 HG3 PRO 30 -13.460 26.637 12.839 250 1HD PRO 30 HD2 PRO 30 -12.074 24.415 12.276 251 2HD PRO 30 HD3 PRO 30 -13.346 24.352 13.527 252 H ASP 31 H ASP 31 -13.463 24.712 9.333 253 HA ASP 31 HA ASP 31 -15.375 24.163 7.122 254 1HB ASP 31 HB2 ASP 31 -15.484 26.578 7.791 255 2HB ASP 31 HB3 ASP 31 -13.751 26.721 7.481 256 HA PRO 32 HA PRO 32 -11.732 22.197 5.297 257 1HB PRO 32 HB2 PRO 32 -12.809 23.667 2.868 258 2HB PRO 32 HB3 PRO 32 -12.068 22.041 2.939 259 1HG PRO 32 HG2 PRO 32 -14.762 22.264 2.945 260 2HG PRO 32 HG3 PRO 32 -13.979 21.165 4.117 261 1HD PRO 32 HD2 PRO 32 -15.069 23.937 4.585 262 2HD PRO 32 HD3 PRO 32 -15.178 22.488 5.624 263 H ALA 33 H ALA 33 -12.397 25.651 4.399 264 HA ALA 33 HA ALA 33 -9.789 26.361 3.629 265 1HB ALA 33 HB1 ALA 33 -11.858 28.068 5.078 266 2HB ALA 33 HB2 ALA 33 -10.476 28.663 4.137 267 3HB ALA 33 HB3 ALA 33 -11.789 27.790 3.322 268 H ALA 34 H ALA 34 -11.159 25.970 6.872 269 HA ALA 34 HA ALA 34 -9.080 27.387 8.273 270 1HB ALA 34 HB1 ALA 34 -10.071 26.478 10.277 271 2HB ALA 34 HB2 ALA 34 -11.375 26.991 9.185 272 3HB ALA 34 HB3 ALA 34 -10.976 25.272 9.354 273 H LEU 35 H LEU 35 -9.129 24.254 6.721 274 HA LEU 35 HA LEU 35 -7.143 22.952 8.342 275 1HB LEU 35 HB2 LEU 35 -7.688 22.737 5.359 276 2HB LEU 35 HB3 LEU 35 -6.679 21.637 6.285 277 HG LEU 35 HG LEU 35 -9.643 22.021 6.896 278 1HD1 LEU 35 1HD1 LEU 35 -9.334 21.186 4.578 279 2HD1 LEU 35 2HD1 LEU 35 -8.287 19.888 5.188 280 3HD1 LEU 35 3HD1 LEU 35 -10.004 19.936 5.638 281 1HD2 LEU 35 1HD2 LEU 35 -7.653 19.823 7.627 282 2HD2 LEU 35 2HD2 LEU 35 -8.294 21.043 8.742 283 3HD2 LEU 35 3HD2 LEU 35 -9.378 19.840 8.033 284 H LYS 36 H LYS 36 -6.967 25.650 6.039 285 HA LYS 36 HA LYS 36 -4.180 25.215 5.353 286 1HB LYS 36 HB2 LYS 36 -6.021 27.587 4.927 287 2HB LYS 36 HB3 LYS 36 -4.456 27.315 4.155 288 1HG LYS 36 HG2 LYS 36 -5.282 25.355 2.972 289 2HG LYS 36 HG3 LYS 36 -6.818 25.429 3.841 290 1HD LYS 36 HD2 LYS 36 -7.156 26.322 1.642 291 2HD LYS 36 HD3 LYS 36 -7.347 27.612 2.840 292 1HE LYS 36 HE2 LYS 36 -5.093 28.477 2.304 293 2HE LYS 36 HE3 LYS 36 -4.813 27.118 1.196 294 1HZ LYS 36 HZ1 LYS 36 -6.881 29.182 0.899 295 2HZ LYS 36 HZ2 LYS 36 -5.468 29.098 0.055 296 3HZ LYS 36 HZ3 LYS 36 -6.614 27.930 -0.141 297 H ASP 37 H ASP 37 -4.108 25.163 8.050 298 HA ASP 37 HA ASP 37 -3.155 27.849 8.963 299 1HB ASP 37 HB2 ASP 37 -5.298 27.642 9.906 300 2HB ASP 37 HB3 ASP 37 -5.073 25.936 10.285 301 H ARG 38 H ARG 38 -1.424 27.863 10.312 302 HA ARG 38 HA ARG 38 0.610 26.053 10.064 303 1HB ARG 38 HB2 ARG 38 -0.008 28.124 12.199 304 2HB ARG 38 HB3 ARG 38 1.432 27.114 12.287 305 1HG ARG 38 HG2 ARG 38 2.036 29.194 11.340 306 2HG ARG 38 HG3 ARG 38 2.248 27.935 10.129 307 1HD ARG 38 HD2 ARG 38 -0.198 29.748 10.259 308 2HD ARG 38 HD3 ARG 38 1.271 30.182 9.373 309 HE ARG 38 HE ARG 38 0.862 27.795 8.291 310 1HH1 ARG 38 1HH1 ARG 38 -1.412 30.501 8.732 311 2HH1 ARG 38 2HH1 ARG 38 -2.519 29.892 7.525 312 1HH2 ARG 38 1HH2 ARG 38 -0.542 27.144 6.604 313 2HH2 ARG 38 2HH2 ARG 38 -2.065 27.990 6.387 314 H ARG 39 H ARG 39 -1.783 26.091 12.789 315 HA ARG 39 HA ARG 39 -0.515 23.828 14.114 316 1HB ARG 39 HB2 ARG 39 -1.933 25.319 15.410 317 2HB ARG 39 HB3 ARG 39 -3.330 24.966 14.379 318 1HG ARG 39 HG2 ARG 39 -3.251 22.575 15.062 319 2HG ARG 39 HG3 ARG 39 -1.870 22.930 16.112 320 1HD ARG 39 HD2 ARG 39 -3.243 24.452 17.447 321 2HD ARG 39 HD3 ARG 39 -4.613 24.271 16.354 322 HE ARG 39 HE ARG 39 -3.714 22.444 18.439 323 1HH1 ARG 39 1HH1 ARG 39 -5.527 22.573 15.390 324 2HH1 ARG 39 2HH1 ARG 39 -6.680 21.363 15.884 325 1HH2 ARG 39 1HH2 ARG 39 -5.138 20.744 18.997 326 2HH2 ARG 39 2HH2 ARG 39 -6.407 20.268 17.897 327 H MET 40 H MET 40 -3.470 24.256 12.106 328 HA MET 40 HA MET 40 -4.298 21.622 12.132 329 1HB MET 40 HB2 MET 40 -4.645 23.751 9.992 330 2HB MET 40 HB3 MET 40 -5.512 22.226 10.006 331 1HG MET 40 HG2 MET 40 -5.693 24.420 12.106 332 2HG MET 40 HG3 MET 40 -6.939 23.898 10.977 333 1HE MET 40 HE1 MET 40 -7.975 21.391 11.064 334 2HE MET 40 HE2 MET 40 -6.405 20.602 11.348 335 3HE MET 40 HE3 MET 40 -7.757 20.299 12.446 336 H GLU 41 H GLU 41 -1.991 23.058 9.863 337 HA GLU 41 HA GLU 41 -1.512 21.087 8.053 338 1HB GLU 41 HB2 GLU 41 -0.296 23.223 8.282 339 2HB GLU 41 HB3 GLU 41 0.580 22.611 9.684 340 1HG GLU 41 HG2 GLU 41 0.726 21.374 6.891 341 2HG GLU 41 HG3 GLU 41 1.831 22.622 7.477 342 H ASN 42 H ASN 42 -0.556 20.963 11.469 343 HA ASN 42 HA ASN 42 1.054 18.577 11.274 344 1HB ASN 42 HB2 ASN 42 -0.373 19.803 13.679 345 2HB ASN 42 HB3 ASN 42 0.782 18.482 13.731 346 1HD2 ASN 42 2HD2 ASN 42 0.378 21.946 12.989 347 2HD2 ASN 42 1HD2 ASN 42 2.083 22.346 13.050 348 H LEU 43 H LEU 43 -2.343 19.186 12.141 349 HA LEU 43 HA LEU 43 -2.981 16.427 12.781 350 1HB LEU 43 HB2 LEU 43 -4.779 18.791 12.057 351 2HB LEU 43 HB3 LEU 43 -5.335 17.168 12.460 352 HG LEU 43 HG LEU 43 -3.988 17.420 14.669 353 1HD1 LEU 43 1HD1 LEU 43 -4.403 20.352 13.949 354 2HD1 LEU 43 2HD1 LEU 43 -3.877 19.734 15.524 355 3HD1 LEU 43 3HD1 LEU 43 -2.812 19.573 14.129 356 1HD2 LEU 43 1HD2 LEU 43 -5.935 18.469 15.743 357 2HD2 LEU 43 2HD2 LEU 43 -6.502 19.072 14.175 358 3HD2 LEU 43 3HD2 LEU 43 -6.439 17.317 14.491 359 H VAL 44 H VAL 44 -3.335 18.498 9.895 360 HA VAL 44 HA VAL 44 -4.463 16.611 8.113 361 HB VAL 44 HB VAL 44 -2.525 18.897 7.643 362 1HG1 VAL 44 1HG1 VAL 44 -2.353 17.406 5.717 363 2HG1 VAL 44 2HG1 VAL 44 -4.126 17.271 5.631 364 3HG1 VAL 44 3HG1 VAL 44 -3.323 18.815 5.273 365 1HG2 VAL 44 1HG2 VAL 44 -4.807 19.495 8.572 366 2HG2 VAL 44 2HG2 VAL 44 -4.461 20.163 6.975 367 3HG2 VAL 44 3HG2 VAL 44 -5.518 18.741 7.136 368 H ALA 45 H ALA 45 -0.986 17.338 8.755 369 HA ALA 45 HA ALA 45 0.109 15.364 7.099 370 1HB ALA 45 HB1 ALA 45 1.209 16.468 9.718 371 2HB ALA 45 HB2 ALA 45 2.133 15.584 8.489 372 3HB ALA 45 HB3 ALA 45 1.427 17.164 8.100 373 H TYR 46 H TYR 46 -0.659 15.102 10.626 374 HA TYR 46 HA TYR 46 0.058 12.386 10.945 375 1HB TYR 46 HB2 TYR 46 -0.516 13.867 12.832 376 2HB TYR 46 HB3 TYR 46 -2.188 13.965 12.294 377 HD1 TYR 46 HD1 TYR 46 -3.735 12.076 12.576 378 HD2 TYR 46 HD2 TYR 46 0.389 11.736 13.777 379 HE1 TYR 46 HE1 TYR 46 -4.220 9.881 13.625 380 HE2 TYR 46 HE2 TYR 46 -0.094 9.547 14.819 381 HH TYR 46 HH TYR 46 -1.677 7.928 15.199 382 H ALA 47 H ALA 47 -3.115 13.783 9.983 383 HA ALA 47 HA ALA 47 -4.460 11.301 9.767 384 1HB ALA 47 HB1 ALA 47 -6.059 12.619 8.346 385 2HB ALA 47 HB2 ALA 47 -5.674 13.391 9.898 386 3HB ALA 47 HB3 ALA 47 -4.931 13.987 8.402 387 H LYS 48 H LYS 48 -2.683 13.199 7.268 388 HA LYS 48 HA LYS 48 -3.134 11.398 5.111 389 1HB LYS 48 HB2 LYS 48 -0.860 13.332 5.704 390 2HB LYS 48 HB3 LYS 48 -0.947 12.355 4.229 391 1HG LYS 48 HG2 LYS 48 -3.142 13.318 3.672 392 2HG LYS 48 HG3 LYS 48 -3.082 14.327 5.133 393 1HD LYS 48 HD2 LYS 48 -1.081 15.477 4.301 394 2HD LYS 48 HD3 LYS 48 -1.022 14.413 2.880 395 1HE LYS 48 HE2 LYS 48 -3.214 15.264 2.113 396 2HE LYS 48 HE3 LYS 48 -3.330 16.302 3.543 397 1HZ LYS 48 HZ1 LYS 48 -2.556 17.500 1.651 398 2HZ LYS 48 HZ2 LYS 48 -1.369 17.445 2.792 399 3HZ LYS 48 HZ3 LYS 48 -1.274 16.483 1.456 400 H LYS 49 H LYS 49 -0.455 11.534 7.509 401 HA LYS 49 HA LYS 49 1.023 9.312 6.575 402 1HB LYS 49 HB2 LYS 49 0.655 10.565 9.307 403 2HB LYS 49 HB3 LYS 49 1.743 9.207 9.063 404 1HG LYS 49 HG2 LYS 49 3.062 10.449 7.467 405 2HG LYS 49 HG3 LYS 49 1.920 11.804 7.473 406 1HD LYS 49 HD2 LYS 49 2.350 12.178 9.887 407 2HD LYS 49 HD3 LYS 49 3.524 10.852 9.899 408 1HE LYS 49 HE2 LYS 49 3.732 13.399 8.212 409 2HE LYS 49 HE3 LYS 49 4.578 13.113 9.741 410 1HZ LYS 49 HZ1 LYS 49 4.918 11.535 7.291 411 2HZ LYS 49 HZ2 LYS 49 5.975 12.647 7.890 412 3HZ LYS 49 HZ3 LYS 49 5.683 11.257 8.725 413 H VAL 50 H VAL 50 -1.486 9.372 9.179 414 HA VAL 50 HA VAL 50 -1.380 6.595 9.558 415 HB VAL 50 HB VAL 50 -2.437 8.635 10.964 416 1HG1 VAL 50 1HG1 VAL 50 -4.418 8.907 9.560 417 2HG1 VAL 50 2HG1 VAL 50 -4.921 7.232 9.914 418 3HG1 VAL 50 3HG1 VAL 50 -4.824 8.429 11.217 419 1HG2 VAL 50 1HG2 VAL 50 -3.354 6.963 12.470 420 2HG2 VAL 50 2HG2 VAL 50 -3.285 5.730 11.189 421 3HG2 VAL 50 3HG2 VAL 50 -1.784 6.452 11.828 422 H GLU 51 H GLU 51 -3.708 8.530 7.472 423 HA GLU 51 HA GLU 51 -5.041 6.240 6.565 424 1HB GLU 51 HB2 GLU 51 -5.820 8.550 6.325 425 2HB GLU 51 HB3 GLU 51 -4.586 8.854 5.094 426 1HG GLU 51 HG2 GLU 51 -5.600 7.493 3.513 427 2HG GLU 51 HG3 GLU 51 -6.323 6.422 4.710 428 H GLY 52 H GLY 52 -1.960 7.703 5.491 429 1HA GLY 52 HA2 GLY 52 -1.438 6.122 3.211 430 2HA GLY 52 HA3 GLY 52 -0.228 6.730 4.360 431 H ASP 53 H ASP 53 -0.606 5.486 6.664 432 HA ASP 53 HA ASP 53 0.353 2.857 6.362 433 1HB ASP 53 HB2 ASP 53 0.513 4.166 8.453 434 2HB ASP 53 HB3 ASP 53 -1.221 3.929 8.728 435 H MET 54 H MET 54 -3.033 3.931 6.937 436 HA MET 54 HA MET 54 -4.190 1.339 6.851 437 1HB MET 54 HB2 MET 54 -5.445 3.980 6.009 438 2HB MET 54 HB3 MET 54 -6.292 2.469 6.288 439 1HG MET 54 HG2 MET 54 -4.896 4.222 8.312 440 2HG MET 54 HG3 MET 54 -6.563 3.681 8.275 441 1HE MET 54 HE1 MET 54 -5.421 2.244 11.613 442 2HE MET 54 HE2 MET 54 -4.879 3.777 10.873 443 3HE MET 54 HE3 MET 54 -6.580 3.251 10.702 444 H TYR 55 H TYR 55 -3.476 3.599 4.170 445 HA TYR 55 HA TYR 55 -4.753 2.109 2.126 446 1HB TYR 55 HB2 TYR 55 -3.975 4.533 2.096 447 2HB TYR 55 HB3 TYR 55 -2.346 3.943 1.811 448 HD1 TYR 55 HD1 TYR 55 -1.688 3.205 -0.430 449 HD2 TYR 55 HD2 TYR 55 -5.774 4.257 0.433 450 HE1 TYR 55 HE1 TYR 55 -2.161 3.430 -2.863 451 HE2 TYR 55 HE2 TYR 55 -6.256 4.423 -1.981 452 HH TYR 55 HH TYR 55 -5.327 4.510 -4.101 453 H GLU 56 H GLU 56 -1.430 2.019 3.420 454 HA GLU 56 HA GLU 56 -0.458 -0.020 1.621 455 1HB GLU 56 HB2 GLU 56 0.405 0.854 4.407 456 2HB GLU 56 HB3 GLU 56 1.339 -0.197 3.346 457 1HG GLU 56 HG2 GLU 56 0.551 2.663 2.635 458 2HG GLU 56 HG3 GLU 56 2.098 2.184 3.317 459 H SER 57 H SER 57 -1.874 -0.121 4.901 460 HA SER 57 HA SER 57 -1.441 -2.916 5.287 461 1HB SER 57 HB2 SER 57 -1.684 -1.274 7.102 462 2HB SER 57 HB3 SER 57 -3.378 -0.999 6.656 463 HG SER 57 HG SER 57 -3.145 -2.517 8.366 464 H ALA 58 H ALA 58 -4.432 -1.113 4.434 465 HA ALA 58 HA ALA 58 -6.194 -3.322 4.487 466 1HB ALA 58 HB1 ALA 58 -6.995 -1.072 4.594 467 2HB ALA 58 HB2 ALA 58 -6.341 -0.687 2.991 468 3HB ALA 58 HB3 ALA 58 -7.673 -1.849 3.148 469 H ASN 59 H ASN 59 -6.356 -5.032 3.177 470 HA ASN 59 HA ASN 59 -5.370 -4.835 0.356 471 1HB ASN 59 HB2 ASN 59 -5.406 -7.122 2.310 472 2HB ASN 59 HB3 ASN 59 -5.412 -7.401 0.567 473 1HD2 ASN 59 2HD2 ASN 59 -3.514 -5.398 3.019 474 2HD2 ASN 59 1HD2 ASN 59 -2.028 -5.651 2.155 475 H SER 60 H SER 60 -8.015 -3.888 1.514 476 HA SER 60 HA SER 60 -9.408 -4.598 -0.850 477 1HB SER 60 HB2 SER 60 -11.366 -5.629 0.036 478 2HB SER 60 HB3 SER 60 -10.005 -6.600 0.600 479 HG SER 60 HG SER 60 -11.593 -6.050 2.251 480 H ARG 61 H ARG 61 -11.308 -3.188 -1.079 481 HA ARG 61 HA ARG 61 -10.937 -0.581 0.038 482 1HB ARG 61 HB2 ARG 61 -11.914 -1.052 -2.154 483 2HB ARG 61 HB3 ARG 61 -13.328 -1.811 -1.416 484 1HG ARG 61 HG2 ARG 61 -14.138 0.265 -0.571 485 2HG ARG 61 HG3 ARG 61 -12.562 1.065 -0.772 486 1HD ARG 61 HD2 ARG 61 -12.664 0.843 -3.139 487 2HD ARG 61 HD3 ARG 61 -14.226 -0.001 -3.079 488 HE ARG 61 HE ARG 61 -15.017 2.190 -1.884 489 1HH1 ARG 61 1HH2 ARG 61 -12.951 1.915 -4.726 490 2HH1 ARG 61 2HH2 ARG 61 -13.234 3.527 -5.303 491 1HH2 ARG 61 1HH1 ARG 61 -15.636 4.185 -2.738 492 2HH2 ARG 61 2HH1 ARG 61 -14.915 4.800 -4.214 493 H ASP 62 H ASP 62 -13.343 -3.169 0.639 494 HA ASP 62 HA ASP 62 -14.754 -1.985 2.762 495 1HB ASP 62 HB2 ASP 62 -15.166 -4.384 3.457 496 2HB ASP 62 HB3 ASP 62 -15.648 -3.938 1.821 497 H GLU 63 H GLU 63 -11.636 -3.909 2.909 498 HA GLU 63 HA GLU 63 -11.435 -3.661 5.723 499 1HB GLU 63 HB2 GLU 63 -10.064 -5.226 4.393 500 2HB GLU 63 HB3 GLU 63 -9.163 -3.866 3.695 501 1HG GLU 63 HG2 GLU 63 -7.920 -4.933 5.512 502 2HG GLU 63 HG3 GLU 63 -8.317 -3.267 5.936 503 H TYR 64 H TYR 64 -10.164 -1.558 3.080 504 HA TYR 64 HA TYR 64 -8.847 0.320 4.673 505 1HB TYR 64 HB2 TYR 64 -8.738 0.203 2.219 506 2HB TYR 64 HB3 TYR 64 -10.381 0.810 2.102 507 HD1 TYR 64 HD1 TYR 64 -10.592 3.069 1.553 508 HD2 TYR 64 HD2 TYR 64 -7.137 1.769 3.792 509 HE1 TYR 64 HE1 TYR 64 -9.523 5.266 1.189 510 HE2 TYR 64 HE2 TYR 64 -6.092 3.994 3.441 511 HH TYR 64 HH TYR 64 -7.655 6.705 2.084 512 H TYR 65 H TYR 65 -12.305 0.370 3.678 513 HA TYR 65 HA TYR 65 -12.979 2.663 5.265 514 1HB TYR 65 HB2 TYR 65 -14.552 0.344 4.127 515 2HB TYR 65 HB3 TYR 65 -15.298 1.401 5.318 516 HD1 TYR 65 HD1 TYR 65 -14.469 1.110 1.818 517 HD2 TYR 65 HD2 TYR 65 -15.207 3.927 4.988 518 HE1 TYR 65 HE1 TYR 65 -14.926 2.872 0.151 519 HE2 TYR 65 HE2 TYR 65 -15.782 5.666 3.317 520 HH TYR 65 HH TYR 65 -15.882 4.916 -0.151 521 H HIS 66 H HIS 66 -13.106 -0.848 6.086 522 HA HIS 66 HA HIS 66 -14.186 -0.543 8.636 523 1HB HIS 66 HB2 HIS 66 -13.973 -2.708 7.555 524 2HB HIS 66 HB3 HIS 66 -12.212 -2.640 7.700 525 HD2 HIS 66 HD2 HIS 66 -11.132 -3.336 10.004 526 HE1 HIS 66 HE1 HIS 66 -14.692 -3.696 12.309 527 HE2 HIS 66 HE2 HIS 66 -12.167 -4.040 12.308 528 H LEU 67 H LEU 67 -10.616 -0.857 7.932 529 HA LEU 67 HA LEU 67 -10.110 -0.298 10.705 530 1HB LEU 67 HB2 LEU 67 -7.698 -0.136 10.120 531 2HB LEU 67 HB3 LEU 67 -8.538 -1.672 9.962 532 HG LEU 67 HG LEU 67 -8.541 -1.563 7.577 533 1HD1 LEU 67 1HD1 LEU 67 -8.860 0.711 7.065 534 2HD1 LEU 67 2HD1 LEU 67 -7.443 1.234 7.970 535 3HD1 LEU 67 3HD1 LEU 67 -7.246 0.341 6.445 536 1HD2 LEU 67 1HD2 LEU 67 -5.798 -0.821 8.646 537 2HD2 LEU 67 2HD2 LEU 67 -6.533 -2.437 8.699 538 3HD2 LEU 67 3HD2 LEU 67 -6.150 -1.694 7.138 539 H LEU 68 H LEU 68 -10.362 1.932 7.950 540 HA LEU 68 HA LEU 68 -9.282 4.142 9.486 541 1HB LEU 68 HB2 LEU 68 -11.084 3.980 7.052 542 2HB LEU 68 HB3 LEU 68 -10.788 5.521 7.855 543 HG LEU 68 HG LEU 68 -8.500 3.763 6.912 544 1HD1 LEU 68 1HD1 LEU 68 -8.318 5.326 5.006 545 2HD1 LEU 68 2HD1 LEU 68 -9.821 4.376 4.932 546 3HD1 LEU 68 3HD1 LEU 68 -9.855 6.077 5.459 547 1HD2 LEU 68 1HD2 LEU 68 -7.238 5.884 7.034 548 2HD2 LEU 68 2HD2 LEU 68 -8.704 6.762 7.482 549 3HD2 LEU 68 3HD2 LEU 68 -7.971 5.609 8.613 550 H ALA 69 H ALA 69 -12.635 2.960 8.943 551 HA ALA 69 HA ALA 69 -13.941 4.856 10.591 552 1HB ALA 69 HB1 ALA 69 -14.666 1.937 10.069 553 2HB ALA 69 HB2 ALA 69 -15.750 3.186 10.718 554 3HB ALA 69 HB3 ALA 69 -15.128 3.326 9.063 555 H GLU 70 H GLU 70 -12.549 1.626 11.418 556 HA GLU 70 HA GLU 70 -13.167 1.721 14.159 557 1HB GLU 70 HB2 GLU 70 -12.408 -0.284 12.822 558 2HB GLU 70 HB3 GLU 70 -10.767 0.385 12.844 559 1HG GLU 70 HG2 GLU 70 -11.019 -1.300 14.561 560 2HG GLU 70 HG3 GLU 70 -10.770 0.265 15.350 561 H LYS 71 H LYS 71 -10.232 2.909 12.383 562 HA LYS 71 HA LYS 71 -8.809 3.734 14.660 563 1HB LYS 71 HB2 LYS 71 -7.831 3.498 12.512 564 2HB LYS 71 HB3 LYS 71 -8.796 4.813 11.833 565 1HG LYS 71 HG2 LYS 71 -6.452 5.420 12.292 566 2HG LYS 71 HG3 LYS 71 -7.602 6.447 13.152 567 1HD LYS 71 HD2 LYS 71 -7.145 5.420 15.238 568 2HD LYS 71 HD3 LYS 71 -6.338 4.028 14.484 569 1HE LYS 71 HE2 LYS 71 -4.451 5.381 13.818 570 2HE LYS 71 HE3 LYS 71 -5.261 6.879 14.315 571 1HZ LYS 71 HZ1 LYS 71 -4.423 4.707 16.098 572 2HZ LYS 71 HZ2 LYS 71 -3.697 6.178 15.928 573 3HZ LYS 71 HZ3 LYS 71 -5.213 6.078 16.564 574 H ILE 72 H ILE 72 -11.198 5.563 12.649 575 HA ILE 72 HA ILE 72 -11.204 7.951 14.213 576 HB ILE 72 HB ILE 72 -13.306 6.599 12.494 577 1HG1 ILE 72 2HG1 ILE 72 -11.551 9.057 12.202 578 2HG1 ILE 72 3HG1 ILE 72 -11.446 7.509 11.332 579 1HG2 ILE 72 1HG2 ILE 72 -14.652 8.732 12.751 580 2HG2 ILE 72 2HG2 ILE 72 -14.635 7.662 14.129 581 3HG2 ILE 72 3HG2 ILE 72 -13.632 9.117 14.161 582 1HD1 ILE 72 1HD1 ILE 72 -12.496 8.996 9.824 583 2HD1 ILE 72 2HD1 ILE 72 -13.784 7.959 10.475 584 3HD1 ILE 72 3HD1 ILE 72 -13.593 9.637 11.048 585 H TYR 73 H TYR 73 -13.209 5.026 14.506 586 HA TYR 73 HA TYR 73 -14.814 5.753 16.658 587 1HB TYR 73 HB2 TYR 73 -14.814 3.749 15.076 588 2HB TYR 73 HB3 TYR 73 -13.731 2.971 16.214 589 HD1 TYR 73 HD1 TYR 73 -15.426 4.163 18.734 590 HD2 TYR 73 HD2 TYR 73 -16.579 2.212 15.073 591 HE1 TYR 73 HE1 TYR 73 -16.913 2.657 19.998 592 HE2 TYR 73 HE2 TYR 73 -18.091 0.755 16.327 593 HH TYR 73 HH TYR 73 -18.661 -0.045 18.437 594 H LYS 74 H LYS 74 -11.676 4.054 16.738 595 HA LYS 74 HA LYS 74 -11.242 4.061 19.538 596 1HB LYS 74 HB2 LYS 74 -9.277 4.181 17.205 597 2HB LYS 74 HB3 LYS 74 -8.773 3.983 18.875 598 1HG LYS 74 HG2 LYS 74 -10.906 2.083 18.172 599 2HG LYS 74 HG3 LYS 74 -9.525 1.950 17.076 600 1HD LYS 74 HD2 LYS 74 -9.189 0.419 18.905 601 2HD LYS 74 HD3 LYS 74 -8.009 1.728 19.075 602 1HE LYS 74 HE2 LYS 74 -9.508 2.816 20.774 603 2HE LYS 74 HE3 LYS 74 -10.676 1.497 20.559 604 1HZ LYS 74 HZ1 LYS 74 -7.918 1.206 21.532 605 2HZ LYS 74 HZ2 LYS 74 -9.271 1.205 22.468 606 3HZ LYS 74 HZ3 LYS 74 -9.023 -0.009 21.379 607 H ILE 75 H ILE 75 -9.951 6.473 17.143 608 HA ILE 75 HA ILE 75 -8.761 8.284 18.936 609 HB ILE 75 HB ILE 75 -10.278 8.706 16.329 610 1HG1 ILE 75 2HG1 ILE 75 -7.295 8.806 16.988 611 2HG1 ILE 75 3HG1 ILE 75 -8.088 7.338 16.443 612 1HG2 ILE 75 1HG2 ILE 75 -9.265 10.931 16.196 613 2HG2 ILE 75 2HG2 ILE 75 -10.329 10.846 17.583 614 3HG2 ILE 75 3HG2 ILE 75 -8.571 10.743 17.822 615 1HD1 ILE 75 1HD1 ILE 75 -7.021 8.390 14.555 616 2HD1 ILE 75 2HD1 ILE 75 -8.780 8.461 14.336 617 3HD1 ILE 75 3HD1 ILE 75 -7.872 9.907 14.826 618 H GLN 76 H GLN 76 -12.170 8.482 17.799 619 HA GLN 76 HA GLN 76 -12.886 10.569 19.580 620 1HB GLN 76 HB2 GLN 76 -14.399 8.389 18.156 621 2HB GLN 76 HB3 GLN 76 -15.253 9.512 19.214 622 1HG GLN 76 HG2 GLN 76 -13.422 10.556 16.985 623 2HG GLN 76 HG3 GLN 76 -15.102 10.111 16.705 624 1HE2 GLN 76 2HE2 GLN 76 -13.186 12.784 17.618 625 2HE2 GLN 76 1HE2 GLN 76 -14.485 13.709 18.338 626 H LYS 77 H LYS 77 -13.314 6.989 20.058 627 HA LYS 77 HA LYS 77 -14.482 7.220 22.631 628 1HB LYS 77 HB2 LYS 77 -12.913 5.048 21.223 629 2HB LYS 77 HB3 LYS 77 -13.452 4.811 22.870 630 1HG LYS 77 HG2 LYS 77 -15.275 5.466 20.533 631 2HG LYS 77 HG3 LYS 77 -15.015 3.863 21.237 632 1HD LYS 77 HD2 LYS 77 -16.797 4.307 22.560 633 2HD LYS 77 HD3 LYS 77 -15.704 5.346 23.474 634 1HE LYS 77 HE2 LYS 77 -16.433 7.222 21.737 635 2HE LYS 77 HE3 LYS 77 -17.709 6.095 21.305 636 1HZ LYS 77 HZ1 LYS 77 -17.181 7.144 24.003 637 2HZ LYS 77 HZ2 LYS 77 -18.358 7.675 22.985 638 3HZ LYS 77 HZ3 LYS 77 -18.424 6.141 23.590 639 H GLU 78 H GLU 78 -11.069 6.699 21.862 640 HA GLU 78 HA GLU 78 -10.090 6.688 24.520 641 1HB GLU 78 HB2 GLU 78 -8.821 7.542 21.889 642 2HB GLU 78 HB3 GLU 78 -7.924 7.346 23.398 643 1HG GLU 78 HG2 GLU 78 -9.478 5.114 22.005 644 2HG GLU 78 HG3 GLU 78 -7.737 5.374 21.905 645 H LEU 79 H LEU 79 -10.380 9.341 22.153 646 HA LEU 79 HA LEU 79 -9.267 11.325 23.883 647 1HB LEU 79 HB2 LEU 79 -9.064 11.052 21.412 648 2HB LEU 79 HB3 LEU 79 -10.755 11.566 21.256 649 HG LEU 79 HG LEU 79 -10.174 13.814 21.977 650 1HD1 LEU 79 1HD1 LEU 79 -7.766 14.434 22.288 651 2HD1 LEU 79 2HD1 LEU 79 -8.362 13.395 23.586 652 3HD1 LEU 79 3HD1 LEU 79 -7.338 12.711 22.299 653 1HD2 LEU 79 1HD2 LEU 79 -8.323 12.571 19.871 654 2HD2 LEU 79 2HD2 LEU 79 -9.965 13.170 19.608 655 3HD2 LEU 79 3HD2 LEU 79 -8.671 14.314 20.017 656 H GLU 80 H GLU 80 -12.501 10.204 23.412 657 HA GLU 80 HA GLU 80 -14.205 12.101 23.487 658 1HB GLU 80 HB2 GLU 80 -14.777 9.725 23.730 659 2HB GLU 80 HB3 GLU 80 -14.316 9.769 25.434 660 1HG GLU 80 HG2 GLU 80 -16.768 9.835 25.068 661 2HG GLU 80 HG3 GLU 80 -16.169 11.236 25.955 662 H GLU 81 H GLU 81 -14.161 14.087 24.337 663 HA GLU 81 HA GLU 81 -13.156 14.841 26.855 664 1HB GLU 81 HB2 GLU 81 -15.152 16.209 25.010 665 2HB GLU 81 HB3 GLU 81 -14.285 16.954 26.352 666 1HG GLU 81 HG2 GLU 81 -13.081 17.565 24.454 667 2HG GLU 81 HG3 GLU 81 -12.109 16.293 25.198 668 H LYS 82 H LYS 82 -16.401 13.752 25.834 669 HA LYS 82 HA LYS 82 -17.917 14.878 27.866 670 1HB LYS 82 HB2 LYS 82 -18.260 12.214 26.452 671 2HB LYS 82 HB3 LYS 82 -19.472 12.880 27.541 672 1HG LYS 82 HG2 LYS 82 -18.458 14.456 25.134 673 2HG LYS 82 HG3 LYS 82 -19.794 13.302 25.041 674 1HD LYS 82 HD2 LYS 82 -21.013 14.575 26.809 675 2HD LYS 82 HD3 LYS 82 -19.704 15.773 26.837 676 1HE LYS 82 HE2 LYS 82 -20.097 16.264 24.434 677 2HE LYS 82 HE3 LYS 82 -21.414 15.076 24.407 678 1HZ LYS 82 HZ1 LYS 82 -22.222 17.289 24.698 679 2HZ LYS 82 HZ2 LYS 82 -22.554 16.390 26.038 680 3HZ LYS 82 HZ3 LYS 82 -21.331 17.495 26.068 681 H ARG 83 H ARG 83 -16.127 11.738 28.120 682 HA ARG 83 HA ARG 83 -17.147 11.258 30.767 683 1HB ARG 83 HB2 ARG 83 -15.763 9.438 30.930 684 2HB ARG 83 HB3 ARG 83 -16.202 9.494 29.222 685 1HG ARG 83 HG2 ARG 83 -13.957 10.411 28.679 686 2HG ARG 83 HG3 ARG 83 -13.550 10.486 30.406 687 1HD ARG 83 HD2 ARG 83 -12.525 8.505 29.579 688 2HD ARG 83 HD3 ARG 83 -13.864 8.039 30.612 689 HE ARG 83 HE ARG 83 -15.012 7.154 28.817 690 1HH1 ARG 83 1HH2 ARG 83 -12.203 8.995 27.590 691 2HH1 ARG 83 2HH2 ARG 83 -12.353 8.301 25.980 692 1HH2 ARG 83 1HH1 ARG 83 -15.143 6.331 26.650 693 2HH2 ARG 83 2HH1 ARG 83 -13.970 6.914 25.467 694 H ARG 84 H ARG 84 -14.497 13.179 29.522 695 HA ARG 84 HA ARG 84 -13.054 13.352 32.049 696 1HB ARG 84 HB2 ARG 84 -12.757 14.864 29.419 697 2HB ARG 84 HB3 ARG 84 -11.634 14.914 30.784 698 1HG ARG 84 HG2 ARG 84 -11.192 12.527 30.560 699 2HG ARG 84 HG3 ARG 84 -12.358 12.365 29.239 700 1HD ARG 84 HD2 ARG 84 -11.042 13.726 27.753 701 2HD ARG 84 HD3 ARG 84 -9.984 14.239 29.072 702 HE ARG 84 HE ARG 84 -8.767 12.338 28.916 703 1HH1 ARG 84 2HH1 ARG 84 -11.813 11.714 27.065 704 2HH1 ARG 84 1HH1 ARG 84 -11.048 10.369 26.234 705 1HH2 ARG 84 2HH2 ARG 84 -7.983 10.473 27.815 706 2HH2 ARG 84 1HH2 ARG 84 -9.037 9.681 26.648 707 H SER 85 H SER 85 -15.491 15.184 30.304 708 HA SER 85 HA SER 85 -15.162 17.675 31.677 709 1HB SER 85 HB2 SER 85 -17.552 16.584 30.141 710 2HB SER 85 HB3 SER 85 -17.252 18.283 30.548 711 HG SER 85 HG SER 85 -15.552 16.634 28.957 712 H ARG 86 H ARG 86 -15.116 16.345 33.870 713 HA ARG 86 HA ARG 86 -17.803 16.007 35.061 714 1HB ARG 86 HB2 ARG 86 -15.033 15.668 36.234 715 2HB ARG 86 HB3 ARG 86 -16.530 15.176 37.025 716 1HG ARG 86 HG2 ARG 86 -15.608 14.005 34.356 717 2HG ARG 86 HG3 ARG 86 -15.095 13.375 35.906 718 1HD ARG 86 HD2 ARG 86 -16.953 12.049 35.029 719 2HD ARG 86 HD3 ARG 86 -17.335 12.804 36.574 720 HE ARG 86 HE ARG 86 -19.084 13.871 35.606 721 1HH1 ARG 86 1HH2 ARG 86 -16.844 12.979 32.992 722 2HH1 ARG 86 2HH2 ARG 86 -17.854 13.645 31.735 723 1HH2 ARG 86 1HH1 ARG 86 -20.393 14.737 33.943 724 2HH2 ARG 86 2HH1 ARG 86 -19.849 14.678 32.288 725 H LEU 87 H LEU 87 -18.418 17.037 37.026 726 HA LEU 87 HA LEU 87 -18.118 19.858 36.924 727 1HB LEU 87 HB2 LEU 87 -20.110 18.693 37.802 728 2HB LEU 87 HB3 LEU 87 -19.154 18.042 39.139 729 HG LEU 87 HG LEU 87 -18.806 20.329 40.029 730 1HD1 LEU 87 1HD1 LEU 87 -18.898 21.698 37.997 731 2HD1 LEU 87 2HD1 LEU 87 -20.573 21.183 37.687 732 3HD1 LEU 87 3HD1 LEU 87 -20.189 22.203 39.089 733 1HD2 LEU 87 1HD2 LEU 87 -21.726 19.673 39.452 734 2HD2 LEU 87 2HD2 LEU 87 -20.743 18.974 40.757 735 3HD2 LEU 87 3HD2 LEU 87 -21.119 20.706 40.764 736 1H LYS 88 H1 LYS 88 -26.089 5.670 23.531 737 2H LYS 88 H2 LYS 88 -25.274 6.815 24.397 738 3H LYS 88 H3 LYS 88 -25.494 7.004 22.776 739 HA LYS 88 HA LYS 88 -23.263 6.375 23.215 740 1HB LYS 88 HB2 LYS 88 -24.485 3.839 24.387 741 2HB LYS 88 HB3 LYS 88 -22.764 4.152 24.136 742 1HG LYS 88 HG2 LYS 88 -24.626 5.650 26.043 743 2HG LYS 88 HG3 LYS 88 -23.443 4.413 26.462 744 1HD LYS 88 HD2 LYS 88 -21.604 5.895 25.594 745 2HD LYS 88 HD3 LYS 88 -22.807 7.153 25.264 746 1HE LYS 88 HE2 LYS 88 -21.731 7.652 27.359 747 2HE LYS 88 HE3 LYS 88 -23.420 7.222 27.670 748 1HZ LYS 88 HZ1 LYS 88 -22.682 5.053 28.332 749 2HZ LYS 88 HZ2 LYS 88 -21.114 5.422 27.982 750 3HZ LYS 88 HZ3 LYS 88 -21.893 6.203 29.205 751 H GLU 89 H GLU 89 -25.363 3.554 22.550 752 HA GLU 89 HA GLU 89 -24.271 2.609 20.251 753 1HB GLU 89 HB2 GLU 89 -26.424 1.772 19.635 754 2HB GLU 89 HB3 GLU 89 -26.159 1.563 21.373 755 1HG GLU 89 HG2 GLU 89 -28.006 3.536 19.966 756 2HG GLU 89 HG3 GLU 89 -28.457 2.193 21.011 757 H LYS 90 H LYS 90 -26.575 5.317 20.366 758 HA LYS 90 HA LYS 90 -26.755 5.874 17.610 759 1HB LYS 90 HB2 LYS 90 -26.911 7.628 20.089 760 2HB LYS 90 HB3 LYS 90 -27.159 8.276 18.462 761 1HG LYS 90 HG2 LYS 90 -28.999 6.729 18.049 762 2HG LYS 90 HG3 LYS 90 -28.787 5.988 19.647 763 1HD LYS 90 HD2 LYS 90 -29.212 8.218 20.708 764 2HD LYS 90 HD3 LYS 90 -29.519 8.909 19.107 765 1HE LYS 90 HE2 LYS 90 -31.103 6.635 20.411 766 2HE LYS 90 HE3 LYS 90 -31.611 8.329 20.324 767 1HZ LYS 90 HZ1 LYS 90 -31.161 6.569 18.020 768 2HZ LYS 90 HZ2 LYS 90 -32.620 7.046 18.615 769 3HZ LYS 90 HZ3 LYS 90 -31.604 8.155 17.942 770 H ARG 91 H ARG 91 -24.293 6.954 19.951 771 HA ARG 91 HA ARG 91 -23.141 8.726 17.889 772 1HB ARG 91 HB2 ARG 91 -21.731 9.698 19.413 773 2HB ARG 91 HB3 ARG 91 -23.261 9.463 20.238 774 1HG ARG 91 HG2 ARG 91 -21.739 8.931 21.870 775 2HG ARG 91 HG3 ARG 91 -22.168 7.349 21.262 776 1HD ARG 91 HD2 ARG 91 -19.880 7.315 21.606 777 2HD ARG 91 HD3 ARG 91 -19.942 7.439 19.866 778 HE ARG 91 HE ARG 91 -19.106 9.474 21.848 779 1HH1 ARG 91 2HH1 ARG 91 -19.760 8.862 18.383 780 2HH1 ARG 91 1HH1 ARG 91 -18.637 10.093 17.877 781 1HH2 ARG 91 1HH2 ARG 91 -17.644 10.991 21.155 782 2HH2 ARG 91 2HH2 ARG 91 -17.358 11.280 19.452 783 H ILE 92 H ILE 92 -22.579 5.516 19.223 784 HA ILE 92 HA ILE 92 -20.026 5.085 17.895 785 HB ILE 92 HB ILE 92 -22.182 3.308 19.058 786 1HG1 ILE 92 2HG1 ILE 92 -20.278 2.353 20.288 787 2HG1 ILE 92 3HG1 ILE 92 -19.160 3.341 19.331 788 1HG2 ILE 92 1HG2 ILE 92 -20.832 1.307 18.303 789 2HG2 ILE 92 2HG2 ILE 92 -21.723 2.081 17.006 790 3HG2 ILE 92 3HG2 ILE 92 -19.984 2.379 17.168 791 1HD1 ILE 92 1HD1 ILE 92 -21.198 4.496 21.243 792 2HD1 ILE 92 2HD1 ILE 92 -19.492 4.189 21.618 793 3HD1 ILE 92 3HD1 ILE 92 -19.904 5.342 20.346 794 H LYS 93 H LYS 93 -23.421 4.307 16.959 795 HA LYS 93 HA LYS 93 -22.576 3.273 14.462 796 1HB LYS 93 HB2 LYS 93 -25.296 4.156 15.469 797 2HB LYS 93 HB3 LYS 93 -25.077 3.364 13.904 798 1HG LYS 93 HG2 LYS 93 -23.956 2.042 16.392 799 2HG LYS 93 HG3 LYS 93 -25.686 1.995 16.086 800 1HD LYS 93 HD2 LYS 93 -24.686 -0.023 15.254 801 2HD LYS 93 HD3 LYS 93 -25.347 0.910 13.907 802 1HE LYS 93 HE2 LYS 93 -23.125 1.584 13.191 803 2HE LYS 93 HE3 LYS 93 -22.384 0.927 14.674 804 1HZ LYS 93 HZ1 LYS 93 -22.109 -0.488 12.800 805 2HZ LYS 93 HZ2 LYS 93 -23.027 -1.239 13.947 806 3HZ LYS 93 HZ3 LYS 93 -23.739 -0.628 12.589 807 H GLU 94 H GLU 94 -23.974 6.479 15.279 808 HA GLU 94 HA GLU 94 -23.988 7.534 12.647 809 1HB GLU 94 HB2 GLU 94 -23.518 8.836 15.356 810 2HB GLU 94 HB3 GLU 94 -23.676 9.754 13.852 811 1HG GLU 94 HG2 GLU 94 -25.923 9.024 13.487 812 2HG GLU 94 HG3 GLU 94 -25.814 7.763 14.718 813 H LEU 95 H LEU 95 -21.333 7.522 15.112 814 HA LEU 95 HA LEU 95 -19.462 8.907 13.542 815 1HB LEU 95 HB2 LEU 95 -19.244 8.510 15.940 816 2HB LEU 95 HB3 LEU 95 -19.053 6.764 15.680 817 HG LEU 95 HG LEU 95 -16.919 7.176 14.499 818 1HD1 LEU 95 1HD1 LEU 95 -15.931 9.525 14.739 819 2HD1 LEU 95 2HD1 LEU 95 -17.262 9.436 13.589 820 3HD1 LEU 95 3HD1 LEU 95 -17.530 10.097 15.220 821 1HD2 LEU 95 1HD2 LEU 95 -17.081 8.516 17.228 822 2HD2 LEU 95 2HD2 LEU 95 -17.040 6.765 16.956 823 3HD2 LEU 95 3HD2 LEU 95 -15.665 7.778 16.460 824 H GLU 96 H GLU 96 -19.895 5.362 13.932 825 HA GLU 96 HA GLU 96 -17.856 4.527 12.164 826 1HB GLU 96 HB2 GLU 96 -18.983 3.136 13.828 827 2HB GLU 96 HB3 GLU 96 -20.496 3.217 12.930 828 1HG GLU 96 HG2 GLU 96 -19.388 2.036 11.018 829 2HG GLU 96 HG3 GLU 96 -17.907 1.915 11.989 830 H LEU 97 H LEU 97 -21.349 4.997 11.571 831 HA LEU 97 HA LEU 97 -21.412 4.293 8.863 832 1HB LEU 97 HB2 LEU 97 -23.387 4.422 10.297 833 2HB LEU 97 HB3 LEU 97 -23.184 6.172 10.468 834 HG LEU 97 HG LEU 97 -23.682 6.502 8.082 835 1HD1 LEU 97 1HD1 LEU 97 -24.577 4.582 6.745 836 2HD1 LEU 97 2HD1 LEU 97 -22.854 4.412 7.086 837 3HD1 LEU 97 3HD1 LEU 97 -24.038 3.468 8.018 838 1HD2 LEU 97 1HD2 LEU 97 -25.733 4.741 9.486 839 2HD2 LEU 97 2HD2 LEU 97 -25.498 6.479 9.770 840 3HD2 LEU 97 3HD2 LEU 97 -26.053 5.909 8.186 841 H LEU 98 H LEU 98 -20.940 7.522 10.394 842 HA LEU 98 HA LEU 98 -21.087 9.111 8.136 843 1HB LEU 98 HB2 LEU 98 -20.902 10.023 10.371 844 2HB LEU 98 HB3 LEU 98 -19.277 9.358 10.565 845 HG LEU 98 HG LEU 98 -18.403 10.878 8.837 846 1HD1 LEU 98 1HD1 LEU 98 -21.260 11.954 8.715 847 2HD1 LEU 98 2HD1 LEU 98 -19.841 12.738 7.994 848 3HD1 LEU 98 3HD1 LEU 98 -20.377 11.171 7.386 849 1HD2 LEU 98 1HD2 LEU 98 -18.635 12.957 10.117 850 2HD2 LEU 98 2HD2 LEU 98 -20.050 12.299 10.967 851 3HD2 LEU 98 3HD2 LEU 98 -18.448 11.570 11.205 852 H LEU 99 H LEU 99 -18.146 7.419 9.380 853 HA LEU 99 HA LEU 99 -16.501 8.366 7.251 854 1HB LEU 99 HB2 LEU 99 -15.758 7.398 9.462 855 2HB LEU 99 HB3 LEU 99 -16.064 5.789 8.830 856 HG LEU 99 HG LEU 99 -13.693 6.480 8.762 857 1HD1 LEU 99 1HD1 LEU 99 -14.629 6.172 5.905 858 2HD1 LEU 99 2HD1 LEU 99 -13.066 5.763 6.600 859 3HD1 LEU 99 3HD1 LEU 99 -14.500 4.832 7.083 860 1HD2 LEU 99 1HD2 LEU 99 -14.373 8.451 6.552 861 2HD2 LEU 99 2HD2 LEU 99 -14.205 8.926 8.248 862 3HD2 LEU 99 3HD2 LEU 99 -12.828 8.208 7.381 863 H MET 100 H MET 100 -18.207 5.230 7.718 864 HA MET 100 HA MET 100 -17.493 4.008 5.288 865 1HB MET 100 HB2 MET 100 -20.023 3.775 6.943 866 2HB MET 100 HB3 MET 100 -19.630 2.721 5.574 867 1HG MET 100 HG2 MET 100 -17.557 2.006 6.646 868 2HG MET 100 HG3 MET 100 -17.842 3.082 8.018 869 1HE MET 100 HE1 MET 100 -17.092 -0.010 8.228 870 2HE MET 100 HE2 MET 100 -17.311 1.083 9.615 871 3HE MET 100 HE3 MET 100 -18.167 -0.476 9.566 872 H SER 101 H SER 101 -20.009 6.426 5.877 873 HA SER 101 HA SER 101 -21.200 6.238 3.279 874 1HB SER 101 HB2 SER 101 -21.288 8.488 5.326 875 2HB SER 101 HB3 SER 101 -22.370 8.300 3.935 876 HG SER 101 HG SER 101 -22.072 6.519 6.130 877 H THR 102 H THR 102 -18.130 7.618 4.063 878 HA THR 102 HA THR 102 -18.210 10.087 2.930 879 HB THR 102 HB THR 102 -15.879 8.162 2.743 880 HG1 THR 102 HG1 THR 102 -16.515 8.505 4.841 881 1HG2 THR 102 1HG2 THR 102 -14.560 10.350 2.793 882 2HG2 THR 102 2HG2 THR 102 -15.412 10.039 1.277 883 3HG2 THR 102 3HG2 THR 102 -16.086 11.188 2.451 884 H GLU 103 H GLU 103 -17.467 7.143 0.884 885 HA GLU 103 HA GLU 103 -17.259 8.600 -1.519 886 1HB GLU 103 HB2 GLU 103 -17.833 6.496 -2.665 887 2HB GLU 103 HB3 GLU 103 -16.612 6.356 -1.408 888 1HG GLU 103 HG2 GLU 103 -18.449 5.447 0.155 889 2HG GLU 103 HG3 GLU 103 -19.544 5.488 -1.231 890 H ASN 104 H ASN 104 -20.142 7.615 0.230 891 HA ASN 104 HA ASN 104 -21.999 8.238 -1.952 892 1HB ASN 104 HB2 ASN 104 -22.597 7.882 1.004 893 2HB ASN 104 HB3 ASN 104 -23.755 7.917 -0.326 894 1HD2 ASN 104 2HD2 ASN 104 -22.843 5.716 1.712 895 2HD2 ASN 104 1HD2 ASN 104 -22.521 4.351 0.662 896 H GLU 105 H GLU 105 -20.722 9.857 0.943 897 HA GLU 105 HA GLU 105 -22.142 12.301 0.741 898 1HB GLU 105 HB2 GLU 105 -20.714 11.515 2.638 899 2HB GLU 105 HB3 GLU 105 -19.271 11.906 1.691 900 1HG GLU 105 HG2 GLU 105 -19.874 14.252 1.617 901 2HG GLU 105 HG3 GLU 105 -21.378 13.923 2.511 902 H LEU 106 H LEU 106 -19.047 11.275 -0.785 903 HA LEU 106 HA LEU 106 -18.617 13.608 -2.364 904 1HB LEU 106 HB2 LEU 106 -17.729 10.733 -2.568 905 2HB LEU 106 HB3 LEU 106 -17.573 11.767 -3.981 906 HG LEU 106 HG LEU 106 -16.278 13.424 -2.646 907 1HD1 LEU 106 1HD1 LEU 106 -17.021 12.817 -0.355 908 2HD1 LEU 106 2HD1 LEU 106 -16.281 11.207 -0.559 909 3HD1 LEU 106 3HD1 LEU 106 -15.266 12.652 -0.534 910 1HD2 LEU 106 1HD2 LEU 106 -15.152 10.592 -2.714 911 2HD2 LEU 106 2HD2 LEU 106 -15.166 11.737 -4.075 912 3HD2 LEU 106 3HD2 LEU 106 -14.207 12.093 -2.628 913 H LYS 107 H LYS 107 -20.253 10.522 -3.305 914 HA LYS 107 HA LYS 107 -21.058 11.424 -5.864 915 1HB LYS 107 HB2 LYS 107 -22.243 9.330 -4.019 916 2HB LYS 107 HB3 LYS 107 -22.851 9.637 -5.654 917 1HG LYS 107 HG2 LYS 107 -20.557 9.262 -6.572 918 2HG LYS 107 HG3 LYS 107 -20.007 8.765 -4.976 919 1HD LYS 107 HD2 LYS 107 -22.192 7.461 -6.681 920 2HD LYS 107 HD3 LYS 107 -20.563 6.831 -6.423 921 1HE LYS 107 HE2 LYS 107 -22.743 7.113 -4.297 922 2HE LYS 107 HE3 LYS 107 -22.187 5.616 -5.044 923 1HZ LYS 107 HZ1 LYS 107 -20.503 7.394 -3.434 924 2HZ LYS 107 HZ2 LYS 107 -21.225 6.013 -2.894 925 3HZ LYS 107 HZ3 LYS 107 -20.061 5.934 -4.067 926 H GLY 108 H GLY 108 -22.581 12.024 -2.718 927 1HA GLY 108 HA2 GLY 108 -24.981 13.265 -3.713 928 2HA GLY 108 HA3 GLY 108 -24.224 13.492 -2.129 929 H GLN 109 H GLN 109 -23.661 14.288 -5.537 930 HA GLN 109 HA GLN 109 -22.446 15.903 -6.557 931 1HB GLN 109 HB2 GLN 109 -24.498 17.602 -5.083 932 2HB GLN 109 HB3 GLN 109 -23.671 18.038 -6.583 933 1HG GLN 109 HG2 GLN 109 -25.645 15.737 -6.207 934 2HG GLN 109 HG3 GLN 109 -25.945 17.258 -7.045 935 1HE2 GLN 109 2HE2 GLN 109 -24.219 17.742 -8.880 936 2HE2 GLN 109 1HE2 GLN 109 -23.871 16.357 -9.903 937 H GLN 110 H GLN 110 -20.789 15.254 -4.544 938 HA GLN 110 HA GLN 110 -19.465 17.889 -4.069 939 1HB GLN 110 HB2 GLN 110 -19.774 15.605 -2.093 940 2HB GLN 110 HB3 GLN 110 -18.590 16.911 -1.914 941 1HG GLN 110 HG2 GLN 110 -20.340 18.596 -1.835 942 2HG GLN 110 HG3 GLN 110 -21.594 17.394 -2.127 943 1HE2 GLN 110 2HE2 GLN 110 -21.369 15.367 -0.491 944 2HE2 GLN 110 1HE2 GLN 110 -21.325 15.927 1.180 945 H ALA 111 H ALA 111 -18.936 16.846 -6.300 946 HA ALA 111 HA ALA 111 -17.017 14.683 -6.340 947 1HB ALA 111 HB1 ALA 111 -17.732 16.758 -8.451 948 2HB ALA 111 HB2 ALA 111 -16.792 15.273 -8.712 949 3HB ALA 111 HB3 ALA 111 -18.498 15.169 -8.237 950 H LEU 112 H LEU 112 -15.770 15.760 -4.522 951 HA LEU 112 HA LEU 112 -14.121 17.979 -4.800 952 1HB LEU 112 HB2 LEU 112 -14.387 16.671 -2.735 953 2HB LEU 112 HB3 LEU 112 -13.551 15.300 -3.471 954 HG LEU 112 HG LEU 112 -11.448 16.630 -3.586 955 1HD1 LEU 112 1HD1 LEU 112 -13.080 18.763 -2.130 956 2HD1 LEU 112 2HD1 LEU 112 -11.313 18.768 -2.310 957 3HD1 LEU 112 3HD1 LEU 112 -12.338 18.924 -3.739 958 1HD2 LEU 112 1HD2 LEU 112 -11.945 15.198 -1.645 959 2HD2 LEU 112 2HD2 LEU 112 -11.002 16.620 -1.170 960 3HD2 LEU 112 3HD2 LEU 112 -12.746 16.557 -0.831 Start of MODEL 11 1 1H GLY 1 H1 GLY 1 5.320 -9.448 5.087 2 2H GLY 1 H2 GLY 1 6.349 -8.159 5.103 3 3H GLY 1 H3 GLY 1 5.670 -8.693 6.509 4 1HA GLY 1 HA2 GLY 1 3.487 -8.103 5.770 5 2HA GLY 1 HA3 GLY 1 4.569 -6.705 5.816 6 H VAL 2 H VAL 2 5.437 -5.909 3.846 7 HA VAL 2 HA VAL 2 3.541 -5.848 1.692 8 HB VAL 2 HB VAL 2 5.175 -4.201 0.731 9 1HG1 VAL 2 1HG1 VAL 2 3.350 -3.514 2.240 10 2HG1 VAL 2 2HG1 VAL 2 4.422 -3.724 3.642 11 3HG1 VAL 2 3HG1 VAL 2 4.784 -2.491 2.418 12 1HG2 VAL 2 1HG2 VAL 2 7.305 -5.132 1.691 13 2HG2 VAL 2 2HG2 VAL 2 7.066 -3.422 2.057 14 3HG2 VAL 2 3HG2 VAL 2 6.778 -4.623 3.305 15 H ARG 3 H ARG 3 4.056 -8.410 1.523 16 HA ARG 3 HA ARG 3 6.371 -8.984 -0.185 17 1HB ARG 3 HB2 ARG 3 4.118 -10.672 0.893 18 2HB ARG 3 HB3 ARG 3 5.400 -11.318 -0.133 19 1HG ARG 3 HG2 ARG 3 7.048 -11.131 1.451 20 2HG ARG 3 HG3 ARG 3 6.360 -9.697 2.208 21 1HD ARG 3 HD2 ARG 3 5.154 -12.466 2.485 22 2HD ARG 3 HD3 ARG 3 6.195 -11.675 3.696 23 HE ARG 3 HE ARG 3 4.186 -9.827 3.098 24 1HH1 ARG 3 1HH2 ARG 3 4.231 -13.063 4.525 25 2HH1 ARG 3 2HH2 ARG 3 2.700 -12.851 5.331 26 1HH2 ARG 3 1HH1 ARG 3 2.309 -9.532 4.068 27 2HH2 ARG 3 2HH1 ARG 3 1.545 -10.757 5.070 28 H LYS 4 H LYS 4 6.385 -9.215 -2.350 29 HA LYS 4 HA LYS 4 3.900 -9.660 -3.865 30 1HB LYS 4 HB2 LYS 4 4.506 -7.063 -3.415 31 2HB LYS 4 HB3 LYS 4 5.637 -7.334 -4.724 32 1HG LYS 4 HG2 LYS 4 3.551 -6.380 -5.506 33 2HG LYS 4 HG3 LYS 4 3.700 -8.027 -6.183 34 1HD LYS 4 HD2 LYS 4 1.873 -8.794 -4.998 35 2HD LYS 4 HD3 LYS 4 2.296 -7.820 -3.584 36 1HE LYS 4 HE2 LYS 4 0.167 -7.081 -4.537 37 2HE LYS 4 HE3 LYS 4 1.401 -5.816 -4.576 38 1HZ LYS 4 HZ1 LYS 4 0.146 -5.955 -6.580 39 2HZ LYS 4 HZ2 LYS 4 1.740 -6.261 -6.877 40 3HZ LYS 4 HZ3 LYS 4 0.646 -7.505 -6.857 41 H GLY 5 H GLY 5 6.725 -10.869 -3.273 42 1HA GLY 5 HA2 GLY 5 8.166 -12.222 -4.466 43 2HA GLY 5 HA3 GLY 5 7.362 -11.800 -5.984 44 H TRP 6 H TRP 6 7.557 -9.339 -6.447 45 HA TRP 6 HA TRP 6 10.355 -8.801 -6.885 46 1HB TRP 6 HB2 TRP 6 9.575 -6.877 -8.105 47 2HB TRP 6 HB3 TRP 6 8.656 -8.305 -8.531 48 HD1 TRP 6 HD1 TRP 6 6.076 -8.314 -8.036 49 HE1 TRP 6 HE1 TRP 6 4.372 -6.465 -7.482 50 HE3 TRP 6 HE3 TRP 6 9.293 -4.558 -6.645 51 HZ2 TRP 6 HZ2 TRP 6 4.376 -3.781 -6.607 52 HZ3 TRP 6 HZ3 TRP 6 8.362 -2.345 -5.973 53 HH2 TRP 6 HH2 TRP 6 5.936 -1.948 -5.989 54 H HIS 7 H HIS 7 8.616 -8.273 -4.093 55 HA HIS 7 HA HIS 7 9.162 -5.542 -3.379 56 1HB HIS 7 HB2 HIS 7 8.607 -6.339 -1.102 57 2HB HIS 7 HB3 HIS 7 7.412 -6.885 -2.290 58 HD2 HIS 7 HD2 HIS 7 9.772 -8.161 0.364 59 HE1 HIS 7 HE1 HIS 7 8.503 -11.624 -1.761 60 HE2 HIS 7 HE2 HIS 7 9.730 -10.782 0.306 61 H GLU 8 H GLU 8 10.760 -8.604 -3.087 62 HA GLU 8 HA GLU 8 12.803 -8.576 -1.428 63 1HB GLU 8 HB2 GLU 8 12.606 -9.373 -4.340 64 2HB GLU 8 HB3 GLU 8 14.046 -9.735 -3.397 65 1HG GLU 8 HG2 GLU 8 12.773 -11.025 -1.775 66 2HG GLU 8 HG3 GLU 8 11.246 -10.559 -2.532 67 H HIS 9 H HIS 9 12.929 -6.671 -4.441 68 HA HIS 9 HA HIS 9 15.601 -5.601 -3.582 69 1HB HIS 9 HB2 HIS 9 15.906 -5.189 -6.101 70 2HB HIS 9 HB3 HIS 9 16.101 -6.790 -5.419 71 HD2 HIS 9 HD2 HIS 9 14.440 -8.678 -6.002 72 HE1 HIS 9 HE1 HIS 9 12.129 -6.586 -8.904 73 HE2 HIS 9 HE2 HIS 9 12.611 -8.875 -7.893 74 H VAL 10 H VAL 10 12.696 -4.556 -3.063 75 HA VAL 10 HA VAL 10 13.267 -1.759 -3.975 76 HB VAL 10 HB VAL 10 10.595 -3.186 -3.746 77 1HG1 VAL 10 1HG1 VAL 10 11.210 -0.249 -4.330 78 2HG1 VAL 10 2HG1 VAL 10 9.633 -1.025 -4.535 79 3HG1 VAL 10 3HG1 VAL 10 10.332 -0.880 -2.927 80 1HG2 VAL 10 1HG2 VAL 10 11.766 -3.717 -5.820 81 2HG2 VAL 10 2HG2 VAL 10 10.534 -2.515 -6.210 82 3HG2 VAL 10 3HG2 VAL 10 12.211 -2.014 -6.059 83 H THR 11 H THR 11 14.365 -1.055 -2.198 84 HA THR 11 HA THR 11 13.404 -1.630 0.493 85 HB THR 11 HB THR 11 15.488 -0.207 0.998 86 HG1 THR 11 HG1 THR 11 16.838 0.027 -0.897 87 1HG2 THR 11 1HG2 THR 11 17.042 -1.987 0.372 88 2HG2 THR 11 2HG2 THR 11 15.515 -2.687 0.939 89 3HG2 THR 11 3HG2 THR 11 15.879 -2.642 -0.800 90 H GLN 12 H GLN 12 13.222 0.108 2.067 91 HA GLN 12 HA GLN 12 11.234 1.936 1.557 92 1HB GLN 12 HB2 GLN 12 11.901 1.241 3.797 93 2HB GLN 12 HB3 GLN 12 13.442 2.098 3.624 94 1HG GLN 12 HG2 GLN 12 11.813 3.368 4.969 95 2HG GLN 12 HG3 GLN 12 12.309 4.247 3.521 96 1HE2 GLN 12 2HE2 GLN 12 10.479 5.503 2.940 97 2HE2 GLN 12 1HE2 GLN 12 8.879 4.799 2.803 98 H ASP 13 H ASP 13 14.769 2.554 1.393 99 HA ASP 13 HA ASP 13 14.656 5.329 0.893 100 1HB ASP 13 HB2 ASP 13 16.759 4.141 1.339 101 2HB ASP 13 HB3 ASP 13 16.588 3.199 -0.153 102 H LEU 14 H LEU 14 14.371 2.598 -1.458 103 HA LEU 14 HA LEU 14 14.220 4.354 -3.729 104 1HB LEU 14 HB2 LEU 14 14.873 2.061 -4.059 105 2HB LEU 14 HB3 LEU 14 13.393 1.460 -3.311 106 HG LEU 14 HG LEU 14 12.045 2.231 -5.151 107 1HD1 LEU 14 1HD1 LEU 14 13.322 4.300 -5.807 108 2HD1 LEU 14 2HD1 LEU 14 14.596 3.257 -6.474 109 3HD1 LEU 14 3HD1 LEU 14 12.971 3.246 -7.177 110 1HD2 LEU 14 1HD2 LEU 14 14.538 0.846 -6.219 111 2HD2 LEU 14 2HD2 LEU 14 13.238 0.040 -5.335 112 3HD2 LEU 14 3HD2 LEU 14 12.899 0.774 -6.911 113 H ARG 15 H ARG 15 11.749 2.736 -1.693 114 HA ARG 15 HA ARG 15 9.455 3.693 -3.057 115 1HB ARG 15 HB2 ARG 15 9.797 3.274 -0.061 116 2HB ARG 15 HB3 ARG 15 8.258 3.398 -0.922 117 1HG ARG 15 HG2 ARG 15 8.741 1.367 -2.205 118 2HG ARG 15 HG3 ARG 15 10.358 1.266 -1.512 119 1HD ARG 15 HD2 ARG 15 9.199 1.140 0.801 120 2HD ARG 15 HD3 ARG 15 7.723 0.852 -0.123 121 HE ARG 15 HE ARG 15 10.239 -0.774 -0.492 122 1HH1 ARG 15 2HH2 ARG 15 6.769 -0.810 0.316 123 2HH1 ARG 15 1HH2 ARG 15 6.633 -2.519 0.001 124 1HH2 ARG 15 2HH1 ARG 15 10.044 -2.926 -0.839 125 2HH2 ARG 15 1HH1 ARG 15 8.465 -3.710 -0.784 126 H SER 16 H SER 16 11.265 5.182 -0.397 127 HA SER 16 HA SER 16 9.859 7.601 -0.073 128 1HB SER 16 HB2 SER 16 12.836 7.080 0.261 129 2HB SER 16 HB3 SER 16 11.941 8.398 0.990 130 HG SER 16 HG SER 16 11.636 5.620 1.434 131 H HIS 17 H HIS 17 12.699 6.847 -2.180 132 HA HIS 17 HA HIS 17 12.906 9.440 -3.247 133 1HB HIS 17 HB2 HIS 17 14.616 7.607 -3.331 134 2HB HIS 17 HB3 HIS 17 13.710 6.878 -4.659 135 HD2 HIS 17 HD2 HIS 17 13.341 8.817 -6.837 136 HE1 HIS 17 HE1 HIS 17 17.301 10.244 -6.246 137 HE2 HIS 17 HE2 HIS 17 15.378 10.069 -7.906 138 H LEU 18 H LEU 18 11.234 6.555 -4.568 139 HA LEU 18 HA LEU 18 10.146 7.760 -6.890 140 1HB LEU 18 HB2 LEU 18 9.123 5.516 -5.112 141 2HB LEU 18 HB3 LEU 18 8.397 5.927 -6.677 142 HG LEU 18 HG LEU 18 11.295 5.080 -6.253 143 1HD1 LEU 18 1HD1 LEU 18 10.585 2.917 -7.235 144 2HD1 LEU 18 2HD1 LEU 18 9.773 3.238 -5.686 145 3HD1 LEU 18 3HD1 LEU 18 8.899 3.471 -7.217 146 1HD2 LEU 18 1HD2 LEU 18 11.013 6.366 -8.331 147 2HD2 LEU 18 2HD2 LEU 18 11.331 4.663 -8.667 148 3HD2 LEU 18 3HD2 LEU 18 9.672 5.297 -8.795 149 H VAL 19 H VAL 19 8.707 7.530 -3.594 150 HA VAL 19 HA VAL 19 6.417 9.087 -4.079 151 HB VAL 19 HB VAL 19 8.118 8.652 -1.624 152 1HG1 VAL 19 1HG1 VAL 19 7.052 10.880 -1.313 153 2HG1 VAL 19 2HG1 VAL 19 5.476 10.142 -1.702 154 3HG1 VAL 19 3HG1 VAL 19 6.369 9.639 -0.261 155 1HG2 VAL 19 1HG2 VAL 19 6.741 6.773 -2.539 156 2HG2 VAL 19 2HG2 VAL 19 6.197 7.289 -0.945 157 3HG2 VAL 19 3HG2 VAL 19 5.291 7.777 -2.397 158 H HIS 20 H HIS 20 9.764 10.368 -3.143 159 HA HIS 20 HA HIS 20 8.778 13.015 -3.439 160 1HB HIS 20 HB2 HIS 20 10.906 13.832 -3.245 161 2HB HIS 20 HB3 HIS 20 10.634 12.587 -2.034 162 HD2 HIS 20 HD2 HIS 20 12.214 12.420 -5.633 163 HE1 HIS 20 HE1 HIS 20 15.223 11.448 -2.796 164 HE2 HIS 20 HE2 HIS 20 14.705 11.689 -5.272 165 H LYS 21 H LYS 21 9.861 10.744 -5.912 166 HA LYS 21 HA LYS 21 10.085 12.719 -8.009 167 1HB LYS 21 HB2 LYS 21 9.192 9.842 -8.323 168 2HB LYS 21 HB3 LYS 21 9.646 10.945 -9.603 169 1HG LYS 21 HG2 LYS 21 11.518 10.094 -7.388 170 2HG LYS 21 HG3 LYS 21 11.395 9.235 -8.900 171 1HD LYS 21 HD2 LYS 21 12.042 12.215 -8.875 172 2HD LYS 21 HD3 LYS 21 13.295 11.015 -8.610 173 1HE LYS 21 HE2 LYS 21 11.476 10.928 -11.049 174 2HE LYS 21 HE3 LYS 21 13.013 11.808 -11.002 175 1HZ LYS 21 HZ1 LYS 21 13.245 9.582 -11.895 176 2HZ LYS 21 HZ2 LYS 21 14.150 9.816 -10.536 177 3HZ LYS 21 HZ3 LYS 21 12.771 8.929 -10.460 178 H LEU 22 H LEU 22 7.333 10.817 -6.700 179 HA LEU 22 HA LEU 22 5.334 11.965 -8.396 180 1HB LEU 22 HB2 LEU 22 4.973 11.113 -5.507 181 2HB LEU 22 HB3 LEU 22 3.716 11.364 -6.700 182 HG LEU 22 HG LEU 22 5.826 9.171 -6.726 183 1HD1 LEU 22 1HD1 LEU 22 2.826 9.150 -6.395 184 2HD1 LEU 22 2HD1 LEU 22 3.868 7.710 -6.386 185 3HD1 LEU 22 3HD1 LEU 22 3.998 8.905 -5.081 186 1HD2 LEU 22 1HD2 LEU 22 3.582 9.811 -8.711 187 2HD2 LEU 22 2HD2 LEU 22 5.329 9.832 -9.033 188 3HD2 LEU 22 3HD2 LEU 22 4.521 8.305 -8.700 189 H VAL 23 H VAL 23 6.385 13.016 -5.112 190 HA VAL 23 HA VAL 23 4.716 15.276 -5.009 191 HB VAL 23 HB VAL 23 7.456 14.989 -3.751 192 1HG1 VAL 23 1HG1 VAL 23 6.808 17.390 -3.808 193 2HG1 VAL 23 2HG1 VAL 23 5.202 16.985 -3.187 194 3HG1 VAL 23 3HG1 VAL 23 6.639 16.755 -2.175 195 1HG2 VAL 23 1HG2 VAL 23 4.637 14.556 -2.643 196 2HG2 VAL 23 2HG2 VAL 23 5.792 13.265 -3.023 197 3HG2 VAL 23 3HG2 VAL 23 6.151 14.410 -1.729 198 H GLN 24 H GLN 24 8.166 15.228 -6.212 199 HA GLN 24 HA GLN 24 8.039 17.983 -6.925 200 1HB GLN 24 HB2 GLN 24 10.110 17.774 -7.966 201 2HB GLN 24 HB3 GLN 24 10.098 16.739 -6.536 202 1HG GLN 24 HG2 GLN 24 9.456 14.848 -8.217 203 2HG GLN 24 HG3 GLN 24 9.999 15.957 -9.479 204 1HE2 GLN 24 2HE2 GLN 24 10.988 14.556 -6.330 205 2HE2 GLN 24 1HE2 GLN 24 12.711 14.435 -6.721 206 H ALA 25 H ALA 25 7.108 15.072 -8.802 207 HA ALA 25 HA ALA 25 6.767 16.396 -11.288 208 1HB ALA 25 HB1 ALA 25 5.237 14.523 -11.824 209 2HB ALA 25 HB2 ALA 25 6.763 13.966 -11.106 210 3HB ALA 25 HB3 ALA 25 5.276 14.002 -10.133 211 H ILE 26 H ILE 26 4.437 15.889 -8.579 212 HA ILE 26 HA ILE 26 2.304 17.347 -9.861 213 HB ILE 26 HB ILE 26 2.848 16.834 -6.897 214 1HG1 ILE 26 2HG1 ILE 26 0.940 15.343 -8.727 215 2HG1 ILE 26 3HG1 ILE 26 2.586 14.783 -8.390 216 1HG2 ILE 26 1HG2 ILE 26 0.391 17.276 -6.630 217 2HG2 ILE 26 2HG2 ILE 26 1.252 18.700 -7.187 218 3HG2 ILE 26 3HG2 ILE 26 0.309 17.734 -8.339 219 1HD1 ILE 26 1HD1 ILE 26 1.155 13.585 -6.947 220 2HD1 ILE 26 2HD1 ILE 26 2.042 14.747 -5.945 221 3HD1 ILE 26 3HD1 ILE 26 0.337 15.045 -6.380 222 H PHE 27 H PHE 27 4.559 18.209 -7.275 223 HA PHE 27 HA PHE 27 4.169 21.135 -7.696 224 1HB PHE 27 HB2 PHE 27 2.856 20.027 -5.880 225 2HB PHE 27 HB3 PHE 27 4.355 19.567 -5.103 226 HD1 PHE 27 HD1 PHE 27 6.041 21.712 -4.684 227 HD2 PHE 27 HD2 PHE 27 1.730 21.811 -4.964 228 HE1 PHE 27 HE1 PHE 27 5.966 23.346 -2.891 229 HE2 PHE 27 HE2 PHE 27 1.669 23.533 -3.216 230 HZ PHE 27 HZ PHE 27 3.786 24.350 -2.176 231 HA PRO 28 HA PRO 28 8.683 20.027 -7.895 232 1HB PRO 28 HB2 PRO 28 9.609 22.204 -9.213 233 2HB PRO 28 HB3 PRO 28 8.763 20.854 -10.015 234 1HG PRO 28 HG2 PRO 28 7.553 23.477 -9.109 235 2HG PRO 28 HG3 PRO 28 7.392 22.694 -10.711 236 1HD PRO 28 HD2 PRO 28 5.498 22.426 -8.813 237 2HD PRO 28 HD3 PRO 28 5.935 21.017 -9.828 238 H THR 29 H THR 29 8.591 20.140 -5.647 239 HA THR 29 HA THR 29 8.344 22.390 -4.095 240 HB THR 29 HB THR 29 9.648 19.790 -3.402 241 HG1 THR 29 HG1 THR 29 7.392 19.844 -4.305 242 1HG2 THR 29 1HG2 THR 29 10.084 21.387 -1.616 243 2HG2 THR 29 2HG2 THR 29 8.382 21.915 -1.629 244 3HG2 THR 29 3HG2 THR 29 8.808 20.274 -1.105 245 HA PRO 30 HA PRO 30 12.307 24.432 -4.677 246 1HB PRO 30 HB2 PRO 30 11.543 25.569 -1.980 247 2HB PRO 30 HB3 PRO 30 12.248 26.415 -3.385 248 1HG PRO 30 HG2 PRO 30 9.576 26.544 -2.928 249 2HG PRO 30 HG3 PRO 30 10.181 26.254 -4.587 250 1HD PRO 30 HD2 PRO 30 9.067 24.203 -2.644 251 2HD PRO 30 HD3 PRO 30 8.829 24.405 -4.409 252 H ASP 31 H ASP 31 11.740 23.202 -1.282 253 HA ASP 31 HA ASP 31 14.588 22.368 -1.170 254 1HB ASP 31 HB2 ASP 31 14.267 24.789 -0.419 255 2HB ASP 31 HB3 ASP 31 13.260 24.184 0.889 256 HA PRO 32 HA PRO 32 12.854 18.908 1.204 257 1HB PRO 32 HB2 PRO 32 15.381 19.457 2.794 258 2HB PRO 32 HB3 PRO 32 14.643 17.876 2.396 259 1HG PRO 32 HG2 PRO 32 16.681 18.789 0.876 260 2HG PRO 32 HG3 PRO 32 15.225 18.135 0.067 261 1HD PRO 32 HD2 PRO 32 15.977 21.021 0.512 262 2HD PRO 32 HD3 PRO 32 15.282 20.241 -0.938 263 H ALA 33 H ALA 33 14.209 21.756 2.992 264 HA ALA 33 HA ALA 33 12.870 21.375 5.432 265 1HB ALA 33 HB1 ALA 33 14.642 23.057 5.050 266 2HB ALA 33 HB2 ALA 33 13.529 24.000 4.030 267 3HB ALA 33 HB3 ALA 33 13.188 23.789 5.759 268 H ALA 34 H ALA 34 11.613 22.560 2.348 269 HA ALA 34 HA ALA 34 9.273 23.871 3.311 270 1HB ALA 34 HB1 ALA 34 10.282 24.036 0.984 271 2HB ALA 34 HB2 ALA 34 9.584 22.433 0.656 272 3HB ALA 34 HB3 ALA 34 8.519 23.793 1.042 273 H LEU 35 H LEU 35 10.103 20.444 3.011 274 HA LEU 35 HA LEU 35 7.454 19.396 2.903 275 1HB LEU 35 HB2 LEU 35 9.915 18.143 4.135 276 2HB LEU 35 HB3 LEU 35 8.439 17.305 3.649 277 HG LEU 35 HG LEU 35 10.313 18.739 1.700 278 1HD1 LEU 35 1HD1 LEU 35 11.000 16.480 1.040 279 2HD1 LEU 35 2HD1 LEU 35 11.365 16.769 2.750 280 3HD1 LEU 35 3HD1 LEU 35 9.961 15.776 2.298 281 1HD2 LEU 35 1HD2 LEU 35 9.055 17.450 -0.017 282 2HD2 LEU 35 2HD2 LEU 35 7.884 16.979 1.230 283 3HD2 LEU 35 3HD2 LEU 35 8.091 18.688 0.783 284 H LYS 36 H LYS 36 9.074 21.056 5.508 285 HA LYS 36 HA LYS 36 7.614 19.874 7.678 286 1HB LYS 36 HB2 LYS 36 8.886 22.599 7.296 287 2HB LYS 36 HB3 LYS 36 8.234 21.997 8.823 288 1HG LYS 36 HG2 LYS 36 9.796 20.144 8.874 289 2HG LYS 36 HG3 LYS 36 10.439 20.585 7.283 290 1HD LYS 36 HD2 LYS 36 11.188 22.767 8.149 291 2HD LYS 36 HD3 LYS 36 10.584 22.360 9.764 292 1HE LYS 36 HE2 LYS 36 12.738 20.798 8.248 293 2HE LYS 36 HE3 LYS 36 13.060 22.023 9.485 294 1HZ LYS 36 HZ1 LYS 36 11.875 20.681 11.058 295 2HZ LYS 36 HZ2 LYS 36 11.584 19.524 9.920 296 3HZ LYS 36 HZ3 LYS 36 13.128 19.841 10.397 297 H ASP 37 H ASP 37 6.614 22.058 5.092 298 HA ASP 37 HA ASP 37 4.516 23.407 6.517 299 1HB ASP 37 HB2 ASP 37 5.322 24.306 4.437 300 2HB ASP 37 HB3 ASP 37 4.980 22.800 3.577 301 H ARG 38 H ARG 38 2.439 22.781 6.996 302 HA ARG 38 HA ARG 38 1.713 20.088 7.129 303 1HB ARG 38 HB2 ARG 38 0.361 22.708 7.576 304 2HB ARG 38 HB3 ARG 38 -0.723 21.412 7.094 305 1HG ARG 38 HG2 ARG 38 -0.699 21.440 9.435 306 2HG ARG 38 HG3 ARG 38 0.100 19.968 8.904 307 1HD ARG 38 HD2 ARG 38 1.475 22.529 9.883 308 2HD ARG 38 HD3 ARG 38 1.194 21.108 10.882 309 HE ARG 38 HE ARG 38 3.353 21.532 9.044 310 1HH1 ARG 38 1HH2 ARG 38 1.297 18.946 10.314 311 2HH1 ARG 38 2HH2 ARG 38 2.403 17.672 9.861 312 1HH2 ARG 38 1HH1 ARG 38 4.829 19.959 8.613 313 2HH2 ARG 38 2HH1 ARG 38 4.528 18.268 8.965 314 H ARG 39 H ARG 39 0.665 22.419 4.596 315 HA ARG 39 HA ARG 39 -1.096 20.546 3.319 316 1HB ARG 39 HB2 ARG 39 0.342 22.958 2.131 317 2HB ARG 39 HB3 ARG 39 -0.999 22.073 1.395 318 1HG ARG 39 HG2 ARG 39 -2.478 22.662 3.268 319 2HG ARG 39 HG3 ARG 39 -1.151 23.504 4.092 320 1HD ARG 39 HD2 ARG 39 -0.955 25.078 2.199 321 2HD ARG 39 HD3 ARG 39 -2.328 24.274 1.395 322 HE ARG 39 HE ARG 39 -3.161 24.957 3.994 323 1HH1 ARG 39 1HH2 ARG 39 -2.175 26.619 1.040 324 2HH1 ARG 39 2HH2 ARG 39 -3.092 28.063 1.372 325 1HH2 ARG 39 1HH1 ARG 39 -4.360 26.830 4.451 326 2HH2 ARG 39 2HH1 ARG 39 -4.364 28.182 3.352 327 H MET 40 H MET 40 2.335 21.434 2.774 328 HA MET 40 HA MET 40 2.771 19.607 0.649 329 1HB MET 40 HB2 MET 40 4.331 21.415 1.167 330 2HB MET 40 HB3 MET 40 4.714 20.674 2.731 331 1HG MET 40 HG2 MET 40 6.417 20.250 0.988 332 2HG MET 40 HG3 MET 40 5.725 18.782 1.700 333 1HE MET 40 HE1 MET 40 4.884 20.161 -2.590 334 2HE MET 40 HE2 MET 40 4.133 20.987 -1.206 335 3HE MET 40 HE3 MET 40 5.901 21.059 -1.442 336 H GLU 41 H GLU 41 3.097 19.153 4.226 337 HA GLU 41 HA GLU 41 3.963 16.475 4.111 338 1HB GLU 41 HB2 GLU 41 3.968 17.893 6.136 339 2HB GLU 41 HB3 GLU 41 2.205 17.737 6.253 340 1HG GLU 41 HG2 GLU 41 2.404 15.301 6.545 341 2HG GLU 41 HG3 GLU 41 4.154 15.386 6.273 342 H ASN 42 H ASN 42 0.684 17.840 3.988 343 HA ASN 42 HA ASN 42 -0.736 15.372 3.887 344 1HB ASN 42 HB2 ASN 42 -1.577 17.865 4.016 345 2HB ASN 42 HB3 ASN 42 -1.655 17.748 2.263 346 1HD2 ASN 42 2HD2 ASN 42 -2.453 14.927 2.009 347 2HD2 ASN 42 1HD2 ASN 42 -4.088 14.871 2.645 348 H LEU 43 H LEU 43 0.780 17.346 1.345 349 HA LEU 43 HA LEU 43 -0.101 15.733 -0.847 350 1HB LEU 43 HB2 LEU 43 0.678 18.058 -1.099 351 2HB LEU 43 HB3 LEU 43 2.320 17.566 -0.670 352 HG LEU 43 HG LEU 43 2.462 16.139 -2.668 353 1HD1 LEU 43 1HD1 LEU 43 0.133 15.491 -3.050 354 2HD1 LEU 43 2HD1 LEU 43 -0.341 17.197 -3.259 355 3HD1 LEU 43 3HD1 LEU 43 0.710 16.400 -4.445 356 1HD2 LEU 43 1HD2 LEU 43 2.534 17.940 -4.326 357 2HD2 LEU 43 2HD2 LEU 43 1.530 18.972 -3.283 358 3HD2 LEU 43 3HD2 LEU 43 3.163 18.503 -2.768 359 H VAL 44 H VAL 44 2.878 15.705 1.111 360 HA VAL 44 HA VAL 44 4.223 13.516 -0.098 361 HB VAL 44 HB VAL 44 4.141 14.602 2.723 362 1HG1 VAL 44 1HG1 VAL 44 6.219 13.253 3.137 363 2HG1 VAL 44 2HG1 VAL 44 4.763 12.263 2.996 364 3HG1 VAL 44 3HG1 VAL 44 5.899 12.369 1.630 365 1HG2 VAL 44 1HG2 VAL 44 6.304 15.523 2.218 366 2HG2 VAL 44 2HG2 VAL 44 6.366 14.680 0.656 367 3HG2 VAL 44 3HG2 VAL 44 5.211 16.000 0.908 368 H ALA 45 H ALA 45 1.810 13.581 2.598 369 HA ALA 45 HA ALA 45 1.628 10.796 2.942 370 1HB ALA 45 HB1 ALA 45 0.664 12.425 4.504 371 2HB ALA 45 HB2 ALA 45 -0.579 12.861 3.313 372 3HB ALA 45 HB3 ALA 45 -0.539 11.225 3.991 373 H TYR 46 H TYR 46 -0.333 12.906 0.760 374 HA TYR 46 HA TYR 46 -1.870 10.859 -0.449 375 1HB TYR 46 HB2 TYR 46 -2.413 13.151 -0.892 376 2HB TYR 46 HB3 TYR 46 -0.812 13.495 -1.529 377 HD1 TYR 46 HD1 TYR 46 -3.914 11.518 -2.208 378 HD2 TYR 46 HD2 TYR 46 -0.220 13.062 -3.810 379 HE1 TYR 46 HE1 TYR 46 -4.506 10.632 -4.450 380 HE2 TYR 46 HE2 TYR 46 -0.785 12.122 -6.021 381 HH TYR 46 HH TYR 46 -2.374 11.071 -7.281 382 H ALA 47 H ALA 47 1.364 12.118 -1.406 383 HA ALA 47 HA ALA 47 1.674 10.430 -3.655 384 1HB ALA 47 HB1 ALA 47 4.091 10.975 -3.426 385 2HB ALA 47 HB2 ALA 47 3.041 12.402 -3.332 386 3HB ALA 47 HB3 ALA 47 3.756 11.729 -1.855 387 H LYS 48 H LYS 48 2.651 9.923 -0.231 388 HA LYS 48 HA LYS 48 3.822 7.349 -0.550 389 1HB LYS 48 HB2 LYS 48 2.352 8.637 1.784 390 2HB LYS 48 HB3 LYS 48 3.068 7.022 1.857 391 1HG LYS 48 HG2 LYS 48 5.276 7.936 1.276 392 2HG LYS 48 HG3 LYS 48 4.594 9.576 1.212 393 1HD LYS 48 HD2 LYS 48 4.017 9.486 3.581 394 2HD LYS 48 HD3 LYS 48 4.507 7.781 3.678 395 1HE LYS 48 HE2 LYS 48 6.842 8.398 3.122 396 2HE LYS 48 HE3 LYS 48 6.376 10.105 3.009 397 1HZ LYS 48 HZ1 LYS 48 5.769 10.027 5.313 398 2HZ LYS 48 HZ2 LYS 48 6.176 8.432 5.415 399 3HZ LYS 48 HZ3 LYS 48 7.338 9.562 5.119 400 H LYS 49 H LYS 49 0.421 8.296 0.165 401 HA LYS 49 HA LYS 49 -0.684 5.737 0.280 402 1HB LYS 49 HB2 LYS 49 -1.760 7.966 0.817 403 2HB LYS 49 HB3 LYS 49 -2.064 8.175 -0.902 404 1HG LYS 49 HG2 LYS 49 -3.367 6.100 -0.956 405 2HG LYS 49 HG3 LYS 49 -3.045 5.828 0.771 406 1HD LYS 49 HD2 LYS 49 -4.248 7.917 1.338 407 2HD LYS 49 HD3 LYS 49 -4.474 8.273 -0.382 408 1HE LYS 49 HE2 LYS 49 -6.536 7.353 0.540 409 2HE LYS 49 HE3 LYS 49 -5.857 6.229 -0.647 410 1HZ LYS 49 HZ1 LYS 49 -4.978 4.945 1.167 411 2HZ LYS 49 HZ2 LYS 49 -5.585 6.007 2.273 412 3HZ LYS 49 HZ3 LYS 49 -6.606 5.123 1.328 413 H VAL 50 H VAL 50 -0.546 7.912 -2.586 414 HA VAL 50 HA VAL 50 -1.582 5.988 -4.325 415 HB VAL 50 HB VAL 50 -1.207 8.609 -4.566 416 1HG1 VAL 50 1HG1 VAL 50 0.324 9.194 -6.336 417 2HG1 VAL 50 2HG1 VAL 50 1.217 8.528 -4.953 418 3HG1 VAL 50 3HG1 VAL 50 0.954 7.541 -6.417 419 1HG2 VAL 50 1HG2 VAL 50 -1.838 8.380 -6.909 420 2HG2 VAL 50 2HG2 VAL 50 -1.343 6.677 -6.907 421 3HG2 VAL 50 3HG2 VAL 50 -2.711 7.217 -5.890 422 H GLU 51 H GLU 51 1.931 6.660 -3.615 423 HA GLU 51 HA GLU 51 2.979 4.702 -5.332 424 1HB GLU 51 HB2 GLU 51 4.327 6.317 -4.164 425 2HB GLU 51 HB3 GLU 51 3.913 5.618 -2.596 426 1HG GLU 51 HG2 GLU 51 5.216 3.897 -4.739 427 2HG GLU 51 HG3 GLU 51 6.201 5.007 -3.797 428 H GLY 52 H GLY 52 1.693 4.329 -1.993 429 1HA GLY 52 HA2 GLY 52 2.018 1.548 -1.685 430 2HA GLY 52 HA3 GLY 52 0.712 2.522 -0.984 431 H ASP 53 H ASP 53 -0.795 3.337 -3.052 432 HA ASP 53 HA ASP 53 -2.406 1.155 -3.751 433 1HB ASP 53 HB2 ASP 53 -3.111 3.536 -3.854 434 2HB ASP 53 HB3 ASP 53 -2.116 3.752 -5.306 435 H MET 54 H MET 54 0.106 2.786 -5.727 436 HA MET 54 HA MET 54 -0.101 1.037 -7.969 437 1HB MET 54 HB2 MET 54 2.263 2.679 -6.954 438 2HB MET 54 HB3 MET 54 2.202 1.846 -8.501 439 1HG MET 54 HG2 MET 54 0.525 4.193 -7.583 440 2HG MET 54 HG3 MET 54 1.617 4.082 -8.955 441 1HE MET 54 HE1 MET 54 -1.623 4.914 -10.700 442 2HE MET 54 HE2 MET 54 -1.137 5.462 -9.068 443 3HE MET 54 HE3 MET 54 0.095 5.290 -10.357 444 H TYR 55 H TYR 55 2.022 0.859 -5.081 445 HA TYR 55 HA TYR 55 3.482 -1.423 -5.818 446 1HB TYR 55 HB2 TYR 55 3.805 0.097 -3.810 447 2HB TYR 55 HB3 TYR 55 2.513 -0.773 -3.004 448 HD1 TYR 55 HD1 TYR 55 2.792 -3.327 -2.618 449 HD2 TYR 55 HD2 TYR 55 6.030 -0.708 -3.765 450 HE1 TYR 55 HE1 TYR 55 4.417 -4.925 -1.700 451 HE2 TYR 55 HE2 TYR 55 7.653 -2.374 -2.962 452 HH TYR 55 HH TYR 55 6.607 -5.227 -1.083 453 H GLU 56 H GLU 56 0.374 -1.234 -4.013 454 HA GLU 56 HA GLU 56 -0.044 -4.036 -3.814 455 1HB GLU 56 HB2 GLU 56 -1.983 -1.701 -3.822 456 2HB GLU 56 HB3 GLU 56 -2.398 -3.351 -3.354 457 1HG GLU 56 HG2 GLU 56 -0.263 -1.681 -1.964 458 2HG GLU 56 HG3 GLU 56 -1.919 -1.869 -1.407 459 H SER 57 H SER 57 -1.097 -1.680 -6.305 460 HA SER 57 HA SER 57 -2.657 -3.531 -7.821 461 1HB SER 57 HB2 SER 57 -1.189 -1.021 -8.759 462 2HB SER 57 HB3 SER 57 -2.495 -1.858 -9.611 463 HG SER 57 HG SER 57 -2.626 -0.549 -7.091 464 H ALA 58 H ALA 58 0.789 -2.649 -7.987 465 HA ALA 58 HA ALA 58 1.230 -3.877 -10.540 466 1HB ALA 58 HB1 ALA 58 3.566 -3.252 -10.085 467 2HB ALA 58 HB2 ALA 58 2.425 -1.915 -9.853 468 3HB ALA 58 HB3 ALA 58 3.113 -2.754 -8.444 469 H ASN 59 H ASN 59 0.868 -6.162 -10.478 470 HA ASN 59 HA ASN 59 2.412 -7.812 -8.600 471 1HB ASN 59 HB2 ASN 59 0.154 -8.365 -9.679 472 2HB ASN 59 HB3 ASN 59 1.069 -8.818 -11.119 473 1HD2 ASN 59 2HD2 ASN 59 3.067 -10.357 -10.492 474 2HD2 ASN 59 1HD2 ASN 59 2.648 -11.648 -9.360 475 H SER 60 H SER 60 4.203 -6.056 -9.695 476 HA SER 60 HA SER 60 6.365 -7.572 -10.441 477 1HB SER 60 HB2 SER 60 5.550 -8.137 -12.604 478 2HB SER 60 HB3 SER 60 4.918 -6.502 -12.889 479 HG SER 60 HG SER 60 6.981 -7.112 -13.919 480 H ARG 61 H ARG 61 8.201 -6.298 -10.478 481 HA ARG 61 HA ARG 61 8.080 -3.577 -9.563 482 1HB ARG 61 HB2 ARG 61 9.968 -4.973 -9.075 483 2HB ARG 61 HB3 ARG 61 10.346 -5.201 -10.797 484 1HG ARG 61 HG2 ARG 61 10.945 -2.848 -11.031 485 2HG ARG 61 HG3 ARG 61 10.299 -2.483 -9.414 486 1HD ARG 61 HD2 ARG 61 11.932 -4.024 -8.440 487 2HD ARG 61 HD3 ARG 61 12.689 -4.255 -10.031 488 HE ARG 61 HE ARG 61 12.649 -1.538 -9.768 489 1HH1 ARG 61 1HH2 ARG 61 13.920 -4.101 -7.657 490 2HH1 ARG 61 2HH2 ARG 61 14.886 -2.998 -6.723 491 1HH2 ARG 61 1HH1 ARG 61 14.260 -0.258 -8.963 492 2HH2 ARG 61 2HH1 ARG 61 15.337 -0.840 -7.701 493 H ASP 62 H ASP 62 8.455 -5.136 -12.727 494 HA ASP 62 HA ASP 62 9.090 -2.757 -14.219 495 1HB ASP 62 HB2 ASP 62 9.458 -5.031 -15.100 496 2HB ASP 62 HB3 ASP 62 7.704 -5.279 -15.183 497 H GLU 63 H GLU 63 6.025 -4.381 -13.395 498 HA GLU 63 HA GLU 63 4.319 -2.515 -14.738 499 1HB GLU 63 HB2 GLU 63 3.556 -4.741 -14.000 500 2HB GLU 63 HB3 GLU 63 3.727 -4.257 -12.302 501 1HG GLU 63 HG2 GLU 63 1.396 -4.135 -13.004 502 2HG GLU 63 HG3 GLU 63 1.985 -2.516 -12.629 503 H TYR 64 H TYR 64 5.457 -2.714 -11.326 504 HA TYR 64 HA TYR 64 4.264 -0.432 -10.277 505 1HB TYR 64 HB2 TYR 64 5.465 -2.056 -8.957 506 2HB TYR 64 HB3 TYR 64 6.971 -1.648 -9.749 507 HD1 TYR 64 HD1 TYR 64 8.485 -0.374 -8.575 508 HD2 TYR 64 HD2 TYR 64 4.273 0.071 -7.753 509 HE1 TYR 64 HE1 TYR 64 9.018 0.783 -6.458 510 HE2 TYR 64 HE2 TYR 64 4.814 1.273 -5.657 511 HH TYR 64 HH TYR 64 6.506 1.749 -4.134 512 H TYR 65 H TYR 65 7.458 -0.588 -11.956 513 HA TYR 65 HA TYR 65 7.872 2.228 -12.007 514 1HB TYR 65 HB2 TYR 65 8.795 -0.059 -13.784 515 2HB TYR 65 HB3 TYR 65 9.156 1.606 -14.202 516 HD1 TYR 65 HD1 TYR 65 9.975 3.060 -12.002 517 HD2 TYR 65 HD2 TYR 65 10.780 -1.063 -12.940 518 HE1 TYR 65 HE1 TYR 65 11.967 3.157 -10.599 519 HE2 TYR 65 HE2 TYR 65 12.868 -0.938 -11.620 520 HH TYR 65 HH TYR 65 13.571 1.890 -9.519 521 H HIS 66 H HIS 66 6.313 0.115 -14.490 522 HA HIS 66 HA HIS 66 5.795 2.162 -16.314 523 1HB HIS 66 HB2 HIS 66 5.569 -0.199 -16.857 524 2HB HIS 66 HB3 HIS 66 4.145 -0.326 -15.815 525 HD2 HIS 66 HD2 HIS 66 1.898 -0.077 -17.082 526 HE1 HIS 66 HE1 HIS 66 3.137 2.473 -20.260 527 HE2 HIS 66 HE2 HIS 66 1.169 1.209 -19.249 528 H LEU 67 H LEU 67 3.368 0.923 -13.889 529 HA LEU 67 HA LEU 67 1.593 3.029 -14.704 530 1HB LEU 67 HB2 LEU 67 0.163 2.407 -12.741 531 2HB LEU 67 HB3 LEU 67 0.360 1.301 -14.095 532 HG LEU 67 HG LEU 67 1.795 -0.154 -12.842 533 1HD1 LEU 67 1HD1 LEU 67 3.043 1.284 -11.445 534 2HD1 LEU 67 2HD1 LEU 67 1.606 1.997 -10.719 535 3HD1 LEU 67 3HD1 LEU 67 2.062 0.325 -10.325 536 1HD2 LEU 67 1HD2 LEU 67 0.229 -0.986 -11.190 537 2HD2 LEU 67 2HD2 LEU 67 -0.641 0.568 -11.188 538 3HD2 LEU 67 3HD2 LEU 67 -0.640 -0.456 -12.641 539 H LEU 68 H LEU 68 4.079 3.009 -12.166 540 HA LEU 68 HA LEU 68 3.126 5.514 -11.057 541 1HB LEU 68 HB2 LEU 68 5.830 4.130 -11.025 542 2HB LEU 68 HB3 LEU 68 5.630 5.759 -10.383 543 HG LEU 68 HG LEU 68 3.914 3.457 -9.410 544 1HD1 LEU 68 1HD1 LEU 68 6.241 2.894 -8.891 545 2HD1 LEU 68 2HD1 LEU 68 6.533 4.533 -8.267 546 3HD1 LEU 68 3HD1 LEU 68 5.412 3.451 -7.417 547 1HD2 LEU 68 1HD2 LEU 68 3.514 4.925 -7.499 548 2HD2 LEU 68 2HD2 LEU 68 4.684 6.108 -8.094 549 3HD2 LEU 68 3HD2 LEU 68 3.142 5.877 -8.935 550 H ALA 69 H ALA 69 5.496 4.701 -13.645 551 HA ALA 69 HA ALA 69 6.247 7.363 -14.262 552 1HB ALA 69 HB1 ALA 69 6.932 6.449 -16.438 553 2HB ALA 69 HB2 ALA 69 7.414 5.355 -15.127 554 3HB ALA 69 HB3 ALA 69 6.010 4.963 -16.138 555 H GLU 70 H GLU 70 3.570 5.323 -15.549 556 HA GLU 70 HA GLU 70 2.444 7.229 -17.283 557 1HB GLU 70 HB2 GLU 70 1.871 4.808 -17.193 558 2HB GLU 70 HB3 GLU 70 1.061 5.066 -15.639 559 1HG GLU 70 HG2 GLU 70 -0.554 4.951 -17.432 560 2HG GLU 70 HG3 GLU 70 -0.589 6.571 -16.728 561 H LYS 71 H LYS 71 1.695 6.579 -13.792 562 HA LYS 71 HA LYS 71 -0.249 8.557 -13.465 563 1HB LYS 71 HB2 LYS 71 0.234 6.818 -11.897 564 2HB LYS 71 HB3 LYS 71 1.805 7.508 -11.494 565 1HG LYS 71 HG2 LYS 71 0.047 7.847 -9.775 566 2HG LYS 71 HG3 LYS 71 0.777 9.350 -10.334 567 1HD LYS 71 HD2 LYS 71 -1.138 9.918 -11.636 568 2HD LYS 71 HD3 LYS 71 -1.816 8.276 -11.489 569 1HE LYS 71 HE2 LYS 71 -2.206 8.589 -9.116 570 2HE LYS 71 HE3 LYS 71 -1.410 10.179 -9.146 571 1HZ LYS 71 HZ1 LYS 71 -3.785 10.352 -9.192 572 2HZ LYS 71 HZ2 LYS 71 -3.154 10.933 -10.600 573 3HZ LYS 71 HZ3 LYS 71 -3.875 9.451 -10.568 574 H ILE 72 H ILE 72 3.322 8.862 -13.048 575 HA ILE 72 HA ILE 72 3.386 11.658 -12.556 576 HB ILE 72 HB ILE 72 5.383 9.719 -13.741 577 1HG1 ILE 72 2HG1 ILE 72 5.101 11.200 -11.099 578 2HG1 ILE 72 3HG1 ILE 72 4.895 9.457 -11.403 579 1HG2 ILE 72 1HG2 ILE 72 5.889 11.832 -14.811 580 2HG2 ILE 72 2HG2 ILE 72 5.807 12.689 -13.254 581 3HG2 ILE 72 3HG2 ILE 72 7.097 11.512 -13.594 582 1HD1 ILE 72 1HD1 ILE 72 7.042 9.651 -10.462 583 2HD1 ILE 72 2HD1 ILE 72 7.302 9.461 -12.212 584 3HD1 ILE 72 3HD1 ILE 72 7.467 11.061 -11.439 585 H TYR 73 H TYR 73 3.466 9.909 -15.681 586 HA TYR 73 HA TYR 73 3.817 12.116 -17.373 587 1HB TYR 73 HB2 TYR 73 3.889 9.640 -17.837 588 2HB TYR 73 HB3 TYR 73 2.143 9.675 -17.985 589 HD1 TYR 73 HD1 TYR 73 2.452 12.597 -19.548 590 HD2 TYR 73 HD2 TYR 73 4.183 8.676 -20.005 591 HE1 TYR 73 HE1 TYR 73 2.186 12.778 -21.958 592 HE2 TYR 73 HE2 TYR 73 3.936 8.868 -22.444 593 HH TYR 73 HH TYR 73 2.158 11.589 -23.973 594 H LYS 74 H LYS 74 0.753 10.561 -16.399 595 HA LYS 74 HA LYS 74 -1.019 12.498 -17.487 596 1HB LYS 74 HB2 LYS 74 -1.357 10.776 -14.979 597 2HB LYS 74 HB3 LYS 74 -2.622 11.730 -15.757 598 1HG LYS 74 HG2 LYS 74 -2.167 10.412 -17.917 599 2HG LYS 74 HG3 LYS 74 -1.116 9.369 -16.958 600 1HD LYS 74 HD2 LYS 74 -3.194 8.250 -17.021 601 2HD LYS 74 HD3 LYS 74 -3.117 8.968 -15.403 602 1HE LYS 74 HE2 LYS 74 -4.557 10.889 -16.260 603 2HE LYS 74 HE3 LYS 74 -4.605 10.087 -17.835 604 1HZ LYS 74 HZ1 LYS 74 -5.627 8.969 -15.321 605 2HZ LYS 74 HZ2 LYS 74 -6.535 9.618 -16.532 606 3HZ LYS 74 HZ3 LYS 74 -5.685 8.231 -16.794 607 H ILE 75 H ILE 75 0.298 12.360 -14.106 608 HA ILE 75 HA ILE 75 -0.844 14.702 -13.129 609 HB ILE 75 HB ILE 75 1.911 13.496 -12.634 610 1HG1 ILE 75 2HG1 ILE 75 -0.597 13.635 -10.894 611 2HG1 ILE 75 3HG1 ILE 75 -0.300 12.291 -11.974 612 1HG2 ILE 75 1HG2 ILE 75 2.105 14.954 -10.689 613 2HG2 ILE 75 2HG2 ILE 75 2.007 15.963 -12.106 614 3HG2 ILE 75 3HG2 ILE 75 0.573 15.771 -11.096 615 1HD1 ILE 75 1HD1 ILE 75 1.798 11.731 -10.806 616 2HD1 ILE 75 2HD1 ILE 75 1.530 13.060 -9.663 617 3HD1 ILE 75 3HD1 ILE 75 0.399 11.708 -9.718 618 H GLN 76 H GLN 76 2.404 14.477 -14.686 619 HA GLN 76 HA GLN 76 2.880 17.240 -14.670 620 1HB GLN 76 HB2 GLN 76 3.845 14.932 -16.333 621 2HB GLN 76 HB3 GLN 76 4.357 16.551 -16.787 622 1HG GLN 76 HG2 GLN 76 4.660 15.545 -13.924 623 2HG GLN 76 HG3 GLN 76 5.891 15.276 -15.166 624 1HE2 GLN 76 2HE2 GLN 76 7.162 16.548 -13.426 625 2HE2 GLN 76 1HE2 GLN 76 7.166 18.287 -13.638 626 H LYS 77 H LYS 77 1.239 15.292 -17.237 627 HA LYS 77 HA LYS 77 0.890 17.590 -18.965 628 1HB LYS 77 HB2 LYS 77 -0.092 14.781 -18.838 629 2HB LYS 77 HB3 LYS 77 -1.100 15.904 -19.717 630 1HG LYS 77 HG2 LYS 77 0.500 14.808 -21.161 631 2HG LYS 77 HG3 LYS 77 0.727 16.548 -21.175 632 1HD LYS 77 HD2 LYS 77 2.406 14.792 -19.345 633 2HD LYS 77 HD3 LYS 77 2.774 14.849 -21.066 634 1HE LYS 77 HE2 LYS 77 2.992 17.170 -19.112 635 2HE LYS 77 HE3 LYS 77 4.257 16.278 -19.924 636 1HZ LYS 77 HZ1 LYS 77 3.472 17.117 -22.008 637 2HZ LYS 77 HZ2 LYS 77 2.251 17.944 -21.267 638 3HZ LYS 77 HZ3 LYS 77 3.814 18.354 -20.970 639 H GLU 78 H GLU 78 -1.428 16.104 -16.708 640 HA GLU 78 HA GLU 78 -3.509 17.986 -17.062 641 1HB GLU 78 HB2 GLU 78 -2.672 16.335 -14.654 642 2HB GLU 78 HB3 GLU 78 -4.155 17.290 -14.701 643 1HG GLU 78 HG2 GLU 78 -3.518 15.000 -16.611 644 2HG GLU 78 HG3 GLU 78 -4.581 14.924 -15.210 645 H LEU 79 H LEU 79 -0.802 18.032 -14.748 646 HA LEU 79 HA LEU 79 -1.525 20.510 -13.497 647 1HB LEU 79 HB2 LEU 79 0.903 18.719 -13.488 648 2HB LEU 79 HB3 LEU 79 1.054 20.321 -12.850 649 HG LEU 79 HG LEU 79 0.570 18.561 -11.164 650 1HD1 LEU 79 1HD1 LEU 79 -0.878 19.996 -9.820 651 2HD1 LEU 79 2HD1 LEU 79 0.322 20.956 -10.697 652 3HD1 LEU 79 3HD1 LEU 79 -1.362 20.913 -11.258 653 1HD2 LEU 79 1HD2 LEU 79 -2.300 18.705 -12.188 654 2HD2 LEU 79 2HD2 LEU 79 -1.219 17.307 -12.362 655 3HD2 LEU 79 3HD2 LEU 79 -1.714 17.847 -10.755 656 H GLU 80 H GLU 80 0.910 19.748 -16.054 657 HA GLU 80 HA GLU 80 1.980 22.279 -16.407 658 1HB GLU 80 HB2 GLU 80 2.825 20.261 -17.485 659 2HB GLU 80 HB3 GLU 80 1.394 20.193 -18.537 660 1HG GLU 80 HG2 GLU 80 2.155 22.450 -19.465 661 2HG GLU 80 HG3 GLU 80 3.618 22.282 -18.492 662 H GLU 81 H GLU 81 -1.039 20.967 -17.871 663 HA GLU 81 HA GLU 81 -1.778 23.226 -19.422 664 1HB GLU 81 HB2 GLU 81 -3.485 21.278 -17.849 665 2HB GLU 81 HB3 GLU 81 -4.132 22.495 -18.955 666 1HG GLU 81 HG2 GLU 81 -2.848 21.541 -20.825 667 2HG GLU 81 HG3 GLU 81 -2.177 20.292 -19.763 668 H LYS 82 H LYS 82 -2.109 22.721 -15.894 669 HA LYS 82 HA LYS 82 -3.587 25.222 -15.518 670 1HB LYS 82 HB2 LYS 82 -2.376 23.305 -13.487 671 2HB LYS 82 HB3 LYS 82 -3.483 24.644 -13.155 672 1HG LYS 82 HG2 LYS 82 -5.218 23.583 -14.555 673 2HG LYS 82 HG3 LYS 82 -4.133 22.224 -14.907 674 1HD LYS 82 HD2 LYS 82 -3.980 21.715 -12.475 675 2HD LYS 82 HD3 LYS 82 -5.168 22.988 -12.142 676 1HE LYS 82 HE2 LYS 82 -5.617 20.528 -13.912 677 2HE LYS 82 HE3 LYS 82 -6.193 20.713 -12.247 678 1HZ LYS 82 HZ1 LYS 82 -7.503 22.580 -12.972 679 2HZ LYS 82 HZ2 LYS 82 -6.988 22.385 -14.525 680 3HZ LYS 82 HZ3 LYS 82 -7.900 21.217 -13.809 681 H ARG 83 H ARG 83 -0.240 24.018 -15.081 682 HA ARG 83 HA ARG 83 0.860 26.311 -13.821 683 1HB ARG 83 HB2 ARG 83 2.221 24.550 -15.903 684 2HB ARG 83 HB3 ARG 83 2.999 25.677 -14.791 685 1HG ARG 83 HG2 ARG 83 2.121 24.300 -12.857 686 2HG ARG 83 HG3 ARG 83 1.558 23.110 -14.027 687 1HD ARG 83 HD2 ARG 83 4.217 23.569 -14.793 688 2HD ARG 83 HD3 ARG 83 4.298 23.610 -13.039 689 HE ARG 83 HE ARG 83 3.859 21.352 -14.812 690 1HH1 ARG 83 1HH1 ARG 83 3.090 22.394 -11.532 691 2HH1 ARG 83 2HH1 ARG 83 3.257 20.795 -10.835 692 1HH2 ARG 83 1HH2 ARG 83 4.283 19.320 -13.910 693 2HH2 ARG 83 2HH2 ARG 83 4.041 19.023 -12.207 694 H ARG 84 H ARG 84 0.332 25.584 -17.305 695 HA ARG 84 HA ARG 84 1.126 28.192 -18.232 696 1HB ARG 84 HB2 ARG 84 -0.581 25.989 -19.451 697 2HB ARG 84 HB3 ARG 84 -0.083 27.457 -20.309 698 1HG ARG 84 HG2 ARG 84 2.256 26.912 -20.005 699 2HG ARG 84 HG3 ARG 84 1.887 25.488 -19.037 700 1HD ARG 84 HD2 ARG 84 0.952 25.839 -21.916 701 2HD ARG 84 HD3 ARG 84 2.431 24.977 -21.431 702 HE ARG 84 HE ARG 84 0.323 23.928 -19.896 703 1HH1 ARG 84 1HH1 ARG 84 1.360 24.017 -23.270 704 2HH1 ARG 84 2HH1 ARG 84 0.801 22.408 -23.643 705 1HH2 ARG 84 1HH2 ARG 84 -0.437 21.821 -20.369 706 2HH2 ARG 84 2HH2 ARG 84 -0.252 21.146 -21.964 707 H SER 85 H SER 85 -2.126 26.738 -17.925 708 HA SER 85 HA SER 85 -3.382 29.349 -18.446 709 1HB SER 85 HB2 SER 85 -4.134 27.307 -19.607 710 2HB SER 85 HB3 SER 85 -4.642 26.610 -18.056 711 HG SER 85 HG SER 85 -6.247 28.056 -17.916 712 H ARG 86 H ARG 86 -3.374 30.664 -16.643 713 HA ARG 86 HA ARG 86 -3.602 29.780 -13.954 714 1HB ARG 86 HB2 ARG 86 -4.384 32.460 -15.161 715 2HB ARG 86 HB3 ARG 86 -4.227 32.096 -13.451 716 1HG ARG 86 HG2 ARG 86 -2.262 33.206 -13.959 717 2HG ARG 86 HG3 ARG 86 -1.817 31.507 -13.770 718 1HD ARG 86 HD2 ARG 86 -0.693 32.692 -15.664 719 2HD ARG 86 HD3 ARG 86 -1.558 31.247 -16.138 720 HE ARG 86 HE ARG 86 -2.841 33.953 -16.296 721 1HH1 ARG 86 2HH2 ARG 86 -1.562 31.181 -18.181 722 2HH1 ARG 86 1HH2 ARG 86 -2.343 31.712 -19.638 723 1HH2 ARG 86 2HH1 ARG 86 -3.835 34.571 -18.205 724 2HH2 ARG 86 1HH1 ARG 86 -3.644 33.639 -19.663 725 H LEU 87 H LEU 87 -6.020 30.582 -16.394 726 HA LEU 87 HA LEU 87 -8.309 30.289 -14.570 727 1HB LEU 87 HB2 LEU 87 -8.220 30.323 -17.613 728 2HB LEU 87 HB3 LEU 87 -9.651 30.501 -16.592 729 HG LEU 87 HG LEU 87 -7.318 32.469 -16.787 730 1HD1 LEU 87 1HD1 LEU 87 -8.962 33.931 -17.871 731 2HD1 LEU 87 2HD1 LEU 87 -8.787 32.414 -18.772 732 3HD1 LEU 87 3HD1 LEU 87 -10.206 32.670 -17.733 733 1HD2 LEU 87 1HD2 LEU 87 -8.233 32.570 -14.518 734 2HD2 LEU 87 2HD2 LEU 87 -8.797 33.971 -15.433 735 3HD2 LEU 87 3HD2 LEU 87 -9.895 32.604 -15.153 736 1H LYS 88 H1 LYS 88 6.435 19.401 -26.907 737 2H LYS 88 H2 LYS 88 7.750 18.675 -26.223 738 3H LYS 88 H3 LYS 88 7.363 18.356 -27.793 739 HA LYS 88 HA LYS 88 5.823 17.652 -25.416 740 1HB LYS 88 HB2 LYS 88 4.395 18.296 -27.299 741 2HB LYS 88 HB3 LYS 88 5.176 17.121 -28.344 742 1HG LYS 88 HG2 LYS 88 4.322 15.291 -26.737 743 2HG LYS 88 HG3 LYS 88 3.569 16.583 -25.795 744 1HD LYS 88 HD2 LYS 88 1.875 15.621 -27.158 745 2HD LYS 88 HD3 LYS 88 2.222 17.224 -27.821 746 1HE LYS 88 HE2 LYS 88 3.588 16.189 -29.624 747 2HE LYS 88 HE3 LYS 88 3.349 14.586 -28.899 748 1HZ LYS 88 HZ1 LYS 88 1.014 14.827 -29.316 749 2HZ LYS 88 HZ2 LYS 88 1.243 16.319 -29.980 750 3HZ LYS 88 HZ3 LYS 88 1.875 14.985 -30.712 751 H GLU 89 H GLU 89 6.239 15.528 -28.110 752 HA GLU 89 HA GLU 89 7.026 13.247 -27.443 753 1HB GLU 89 HB2 GLU 89 9.096 13.599 -29.242 754 2HB GLU 89 HB3 GLU 89 7.415 13.253 -29.605 755 1HG GLU 89 HG2 GLU 89 8.219 15.084 -30.975 756 2HG GLU 89 HG3 GLU 89 6.902 15.610 -29.931 757 H LYS 90 H LYS 90 9.931 15.313 -27.657 758 HA LYS 90 HA LYS 90 11.600 13.597 -26.264 759 1HB LYS 90 HB2 LYS 90 13.109 15.505 -26.008 760 2HB LYS 90 HB3 LYS 90 12.395 15.413 -27.620 761 1HG LYS 90 HG2 LYS 90 10.696 17.192 -26.841 762 2HG LYS 90 HG3 LYS 90 11.719 17.383 -25.400 763 1HD LYS 90 HD2 LYS 90 13.661 17.895 -26.868 764 2HD LYS 90 HD3 LYS 90 12.616 17.718 -28.295 765 1HE LYS 90 HE2 LYS 90 11.169 19.569 -27.463 766 2HE LYS 90 HE3 LYS 90 12.231 19.761 -26.053 767 1HZ LYS 90 HZ1 LYS 90 12.748 21.319 -27.765 768 2HZ LYS 90 HZ2 LYS 90 14.015 20.286 -27.554 769 3HZ LYS 90 HZ3 LYS 90 13.020 20.117 -28.858 770 H ARG 91 H ARG 91 9.638 16.213 -24.884 771 HA ARG 91 HA ARG 91 10.601 15.922 -22.162 772 1HB ARG 91 HB2 ARG 91 9.671 17.994 -22.882 773 2HB ARG 91 HB3 ARG 91 8.142 17.273 -23.359 774 1HG ARG 91 HG2 ARG 91 9.050 17.039 -20.472 775 2HG ARG 91 HG3 ARG 91 8.464 18.578 -21.097 776 1HD ARG 91 HD2 ARG 91 6.395 17.327 -21.945 777 2HD ARG 91 HD3 ARG 91 6.788 16.024 -20.821 778 HE ARG 91 HE ARG 91 5.654 18.629 -20.304 779 1HH1 ARG 91 2HH1 ARG 91 7.885 16.363 -18.777 780 2HH1 ARG 91 1HH1 ARG 91 7.516 16.900 -17.157 781 1HH2 ARG 91 1HH2 ARG 91 5.104 19.258 -18.301 782 2HH2 ARG 91 2HH2 ARG 91 5.771 18.547 -16.849 783 H ILE 92 H ILE 92 7.885 14.621 -24.111 784 HA ILE 92 HA ILE 92 6.633 13.221 -21.935 785 HB ILE 92 HB ILE 92 6.481 13.182 -24.927 786 1HG1 ILE 92 2HG1 ILE 92 4.059 13.239 -24.401 787 2HG1 ILE 92 3HG1 ILE 92 4.453 13.074 -22.678 788 1HG2 ILE 92 1HG2 ILE 92 6.699 10.790 -24.648 789 2HG2 ILE 92 2HG2 ILE 92 5.587 10.803 -23.263 790 3HG2 ILE 92 3HG2 ILE 92 5.006 11.170 -24.904 791 1HD1 ILE 92 1HD1 ILE 92 3.891 15.392 -23.346 792 2HD1 ILE 92 2HD1 ILE 92 5.511 15.250 -22.650 793 3HD1 ILE 92 3HD1 ILE 92 5.310 15.408 -24.407 794 H LYS 93 H LYS 93 9.047 12.054 -24.335 795 HA LYS 93 HA LYS 93 9.180 9.475 -23.150 796 1HB LYS 93 HB2 LYS 93 11.079 10.992 -24.970 797 2HB LYS 93 HB3 LYS 93 11.393 9.325 -24.480 798 1HG LYS 93 HG2 LYS 93 8.697 9.981 -25.685 799 2HG LYS 93 HG3 LYS 93 10.110 9.923 -26.733 800 1HD LYS 93 HD2 LYS 93 8.977 7.780 -26.747 801 2HD LYS 93 HD3 LYS 93 10.609 7.621 -26.089 802 1HE LYS 93 HE2 LYS 93 9.730 7.448 -23.810 803 2HE LYS 93 HE3 LYS 93 8.081 7.813 -24.381 804 1HZ LYS 93 HZ1 LYS 93 9.673 5.444 -25.048 805 2HZ LYS 93 HZ2 LYS 93 8.393 5.522 -24.009 806 3HZ LYS 93 HZ3 LYS 93 8.160 5.774 -25.622 807 H GLU 94 H GLU 94 11.350 12.316 -22.780 808 HA GLU 94 HA GLU 94 13.131 11.136 -20.922 809 1HB GLU 94 HB2 GLU 94 12.158 14.010 -21.259 810 2HB GLU 94 HB3 GLU 94 13.462 13.550 -20.158 811 1HG GLU 94 HG2 GLU 94 13.532 12.949 -23.155 812 2HG GLU 94 HG3 GLU 94 14.233 14.389 -22.415 813 H LEU 95 H LEU 95 9.995 12.857 -20.294 814 HA LEU 95 HA LEU 95 10.146 12.586 -17.485 815 1HB LEU 95 HB2 LEU 95 8.547 14.065 -18.609 816 2HB LEU 95 HB3 LEU 95 7.725 12.670 -19.323 817 HG LEU 95 HG LEU 95 7.123 11.871 -17.016 818 1HD1 LEU 95 1HD1 LEU 95 8.876 12.929 -15.651 819 2HD1 LEU 95 2HD1 LEU 95 8.361 14.546 -16.187 820 3HD1 LEU 95 3HD1 LEU 95 7.312 13.567 -15.152 821 1HD2 LEU 95 1HD2 LEU 95 5.401 13.464 -16.657 822 2HD2 LEU 95 2HD2 LEU 95 6.215 14.692 -17.647 823 3HD2 LEU 95 3HD2 LEU 95 5.595 13.214 -18.406 824 H GLU 96 H GLU 96 8.581 10.428 -19.925 825 HA GLU 96 HA GLU 96 7.589 8.497 -18.136 826 1HB GLU 96 HB2 GLU 96 6.997 8.642 -20.487 827 2HB GLU 96 HB3 GLU 96 8.619 8.154 -20.978 828 1HG GLU 96 HG2 GLU 96 8.297 5.941 -19.918 829 2HG GLU 96 HG3 GLU 96 6.698 6.443 -19.338 830 H LEU 97 H LEU 97 10.750 8.633 -19.795 831 HA LEU 97 HA LEU 97 11.920 6.314 -18.635 832 1HB LEU 97 HB2 LEU 97 13.059 8.864 -19.834 833 2HB LEU 97 HB3 LEU 97 14.091 7.537 -19.335 834 HG LEU 97 HG LEU 97 11.843 7.208 -21.377 835 1HD1 LEU 97 1HD1 LEU 97 13.636 7.291 -23.080 836 2HD1 LEU 97 2HD1 LEU 97 13.502 8.826 -22.207 837 3HD1 LEU 97 3HD1 LEU 97 14.819 7.699 -21.818 838 1HD2 LEU 97 1HD2 LEU 97 14.228 5.456 -20.634 839 2HD2 LEU 97 2HD2 LEU 97 12.514 5.072 -20.366 840 3HD2 LEU 97 3HD2 LEU 97 13.144 5.176 -22.010 841 H LEU 98 H LEU 98 11.885 9.711 -17.519 842 HA LEU 98 HA LEU 98 13.921 9.641 -15.703 843 1HB LEU 98 HB2 LEU 98 12.747 11.665 -16.332 844 2HB LEU 98 HB3 LEU 98 11.279 11.121 -15.509 845 HG LEU 98 HG LEU 98 12.373 11.297 -13.338 846 1HD1 LEU 98 1HD1 LEU 98 14.601 12.454 -13.176 847 2HD1 LEU 98 2HD1 LEU 98 14.725 10.837 -13.875 848 3HD1 LEU 98 3HD1 LEU 98 14.794 12.267 -14.931 849 1HD2 LEU 98 1HD2 LEU 98 11.185 13.232 -14.311 850 2HD2 LEU 98 2HD2 LEU 98 12.531 13.749 -13.281 851 3HD2 LEU 98 3HD2 LEU 98 12.699 13.795 -15.049 852 H LEU 99 H LEU 99 10.539 8.560 -15.054 853 HA LEU 99 HA LEU 99 11.082 8.100 -12.286 854 1HB LEU 99 HB2 LEU 99 8.810 8.326 -13.476 855 2HB LEU 99 HB3 LEU 99 8.956 6.610 -13.857 856 HG LEU 99 HG LEU 99 7.556 7.219 -11.860 857 1HD1 LEU 99 1HD1 LEU 99 9.814 5.344 -11.147 858 2HD1 LEU 99 2HD1 LEU 99 8.167 5.376 -10.510 859 3HD1 LEU 99 3HD1 LEU 99 8.437 4.927 -12.206 860 1HD2 LEU 99 1HD2 LEU 99 8.509 7.823 -9.771 861 2HD2 LEU 99 2HD2 LEU 99 10.162 7.544 -10.327 862 3HD2 LEU 99 3HD2 LEU 99 9.257 8.934 -10.943 863 H MET 100 H MET 100 11.092 5.945 -15.126 864 HA MET 100 HA MET 100 11.757 3.507 -13.830 865 1HB MET 100 HB2 MET 100 12.605 4.414 -16.616 866 2HB MET 100 HB3 MET 100 12.516 2.758 -15.999 867 1HG MET 100 HG2 MET 100 10.047 3.143 -15.583 868 2HG MET 100 HG3 MET 100 10.189 4.673 -16.451 869 1HE MET 100 HE1 MET 100 8.115 2.450 -18.866 870 2HE MET 100 HE2 MET 100 8.077 2.414 -17.089 871 3HE MET 100 HE3 MET 100 8.178 3.973 -17.946 872 H SER 101 H SER 101 13.765 6.124 -15.099 873 HA SER 101 HA SER 101 16.294 5.083 -14.442 874 1HB SER 101 HB2 SER 101 15.926 6.965 -16.003 875 2HB SER 101 HB3 SER 101 15.490 8.005 -14.632 876 HG SER 101 HG SER 101 17.583 7.448 -13.748 877 H THR 102 H THR 102 13.906 5.953 -12.089 878 HA THR 102 HA THR 102 15.411 7.324 -10.195 879 HB THR 102 HB THR 102 13.358 5.122 -9.690 880 HG1 THR 102 HG1 THR 102 12.491 6.833 -10.752 881 1HG2 THR 102 1HG2 THR 102 14.753 7.120 -7.896 882 2HG2 THR 102 2HG2 THR 102 13.178 6.411 -7.464 883 3HG2 THR 102 3HG2 THR 102 14.606 5.382 -7.655 884 H GLU 103 H GLU 103 15.444 3.746 -10.751 885 HA GLU 103 HA GLU 103 17.218 3.240 -8.562 886 1HB GLU 103 HB2 GLU 103 17.753 1.121 -9.773 887 2HB GLU 103 HB3 GLU 103 16.037 1.409 -9.489 888 1HG GLU 103 HG2 GLU 103 15.617 1.957 -11.792 889 2HG GLU 103 HG3 GLU 103 17.350 2.004 -12.171 890 H ASN 104 H ASN 104 17.780 4.228 -11.892 891 HA ASN 104 HA ASN 104 20.671 3.999 -11.848 892 1HB ASN 104 HB2 ASN 104 19.781 4.045 -13.978 893 2HB ASN 104 HB3 ASN 104 18.695 5.379 -13.650 894 1HD2 ASN 104 2HD2 ASN 104 19.274 7.143 -14.855 895 2HD2 ASN 104 1HD2 ASN 104 20.941 7.659 -15.069 896 H GLU 105 H GLU 105 18.375 6.673 -11.060 897 HA GLU 105 HA GLU 105 20.364 8.592 -10.351 898 1HB GLU 105 HB2 GLU 105 17.597 8.220 -9.125 899 2HB GLU 105 HB3 GLU 105 18.658 9.606 -8.901 900 1HG GLU 105 HG2 GLU 105 18.612 10.077 -11.329 901 2HG GLU 105 HG3 GLU 105 17.499 8.726 -11.580 902 H LEU 106 H LEU 106 18.747 6.073 -8.345 903 HA LEU 106 HA LEU 106 20.158 6.587 -5.932 904 1HB LEU 106 HB2 LEU 106 19.107 3.948 -7.045 905 2HB LEU 106 HB3 LEU 106 19.679 4.177 -5.413 906 HG LEU 106 HG LEU 106 17.209 5.414 -6.672 907 1HD1 LEU 106 1HD1 LEU 106 17.645 3.536 -4.310 908 2HD1 LEU 106 2HD1 LEU 106 16.091 4.130 -4.913 909 3HD1 LEU 106 3HD1 LEU 106 17.074 3.054 -5.924 910 1HD2 LEU 106 1HD2 LEU 106 16.758 6.359 -4.399 911 2HD2 LEU 106 2HD2 LEU 106 18.439 5.996 -3.951 912 3HD2 LEU 106 3HD2 LEU 106 18.080 7.165 -5.247 913 H LYS 107 H LYS 107 20.969 4.226 -8.517 914 HA LYS 107 HA LYS 107 23.383 3.299 -7.396 915 1HB LYS 107 HB2 LYS 107 22.420 3.522 -10.264 916 2HB LYS 107 HB3 LYS 107 23.937 2.723 -9.825 917 1HG LYS 107 HG2 LYS 107 22.831 1.068 -8.496 918 2HG LYS 107 HG3 LYS 107 21.286 1.926 -8.554 919 1HD LYS 107 HD2 LYS 107 21.135 1.562 -10.990 920 2HD LYS 107 HD3 LYS 107 22.690 0.704 -10.972 921 1HE LYS 107 HE2 LYS 107 21.741 -1.026 -9.484 922 2HE LYS 107 HE3 LYS 107 20.203 -0.144 -9.402 923 1HZ LYS 107 HZ1 LYS 107 19.900 -0.508 -11.716 924 2HZ LYS 107 HZ2 LYS 107 21.365 -1.260 -11.855 925 3HZ LYS 107 HZ3 LYS 107 20.159 -1.946 -10.967 926 H GLY 108 H GLY 108 22.842 6.077 -9.621 927 1HA GLY 108 HA2 GLY 108 25.568 6.863 -9.871 928 2HA GLY 108 HA3 GLY 108 24.148 7.903 -10.077 929 H GLN 109 H GLN 109 22.985 8.047 -7.666 930 HA GLN 109 HA GLN 109 24.500 9.909 -6.222 931 1HB GLN 109 HB2 GLN 109 22.064 9.815 -6.163 932 2HB GLN 109 HB3 GLN 109 22.102 8.218 -5.405 933 1HG GLN 109 HG2 GLN 109 21.538 9.935 -3.790 934 2HG GLN 109 HG3 GLN 109 23.059 9.170 -3.346 935 1HE2 GLN 109 2HE2 GLN 109 25.093 10.405 -3.779 936 2HE2 GLN 109 1HE2 GLN 109 24.990 12.164 -3.802 937 H GLN 110 H GLN 110 24.141 6.396 -5.753 938 HA GLN 110 HA GLN 110 25.765 6.240 -3.368 939 1HB GLN 110 HB2 GLN 110 24.199 4.493 -4.009 940 2HB GLN 110 HB3 GLN 110 25.051 4.227 -5.530 941 1HG GLN 110 HG2 GLN 110 27.066 3.459 -4.246 942 2HG GLN 110 HG3 GLN 110 26.167 3.718 -2.741 943 1HE2 GLN 110 2HE2 GLN 110 25.522 2.156 -5.962 944 2HE2 GLN 110 1HE2 GLN 110 24.906 0.668 -5.259 945 H ALA 111 H ALA 111 26.504 5.523 -6.831 946 HA ALA 111 HA ALA 111 29.309 5.071 -6.232 947 1HB ALA 111 HB1 ALA 111 29.447 4.484 -8.599 948 2HB ALA 111 HB2 ALA 111 28.038 3.708 -7.850 949 3HB ALA 111 HB3 ALA 111 27.820 5.138 -8.883 950 H LEU 112 H LEU 112 29.163 7.517 -5.363 951 HA LEU 112 HA LEU 112 29.623 9.586 -7.344 952 1HB LEU 112 HB2 LEU 112 30.497 9.469 -4.431 953 2HB LEU 112 HB3 LEU 112 30.446 10.917 -5.445 954 HG LEU 112 HG LEU 112 28.044 9.237 -4.612 955 1HD1 LEU 112 1HD1 LEU 112 29.052 10.514 -2.758 956 2HD1 LEU 112 2HD1 LEU 112 28.915 12.009 -3.711 957 3HD1 LEU 112 3HD1 LEU 112 27.454 11.138 -3.196 958 1HD2 LEU 112 1HD2 LEU 112 28.213 11.835 -6.212 959 2HD2 LEU 112 2HD2 LEU 112 27.573 10.274 -6.780 960 3HD2 LEU 112 3HD2 LEU 112 26.716 11.172 -5.530 Start of MODEL 12 1 1H GLY 1 H1 GLY 1 -6.664 0.669 0.979 2 2H GLY 1 H2 GLY 1 -8.164 0.630 0.280 3 3H GLY 1 H3 GLY 1 -7.046 -0.528 -0.094 4 1HA GLY 1 HA2 GLY 1 -7.181 0.958 -1.900 5 2HA GLY 1 HA3 GLY 1 -6.897 2.309 -0.785 6 H VAL 2 H VAL 2 -5.313 0.487 -3.064 7 HA VAL 2 HA VAL 2 -2.835 -0.026 -1.761 8 HB VAL 2 HB VAL 2 -1.830 -0.064 -3.998 9 1HG1 VAL 2 1HG1 VAL 2 -2.854 -2.085 -3.115 10 2HG1 VAL 2 2HG1 VAL 2 -4.450 -1.605 -3.740 11 3HG1 VAL 2 3HG1 VAL 2 -3.128 -1.994 -4.857 12 1HG2 VAL 2 1HG2 VAL 2 -4.606 0.701 -5.031 13 2HG2 VAL 2 2HG2 VAL 2 -3.112 1.655 -5.176 14 3HG2 VAL 2 3HG2 VAL 2 -3.256 0.112 -6.015 15 H ARG 3 H ARG 3 -4.136 2.973 -3.089 16 HA ARG 3 HA ARG 3 -1.512 4.311 -2.935 17 1HB ARG 3 HB2 ARG 3 -4.254 5.373 -3.689 18 2HB ARG 3 HB3 ARG 3 -2.747 6.306 -3.667 19 1HG ARG 3 HG2 ARG 3 -1.739 4.610 -5.256 20 2HG ARG 3 HG3 ARG 3 -3.344 3.873 -5.392 21 1HD ARG 3 HD2 ARG 3 -4.252 6.075 -6.218 22 2HD ARG 3 HD3 ARG 3 -2.627 6.747 -6.101 23 HE ARG 3 HE ARG 3 -2.020 5.732 -8.042 24 1HH1 ARG 3 1HH2 ARG 3 -4.977 4.181 -6.897 25 2HH1 ARG 3 2HH2 ARG 3 -5.228 3.253 -8.352 26 1HH2 ARG 3 1HH1 ARG 3 -2.323 4.522 -9.944 27 2HH2 ARG 3 2HH1 ARG 3 -3.682 3.446 -10.109 28 H LYS 4 H LYS 4 -0.781 4.813 -0.968 29 HA LYS 4 HA LYS 4 -2.604 6.119 1.034 30 1HB LYS 4 HB2 LYS 4 -0.452 4.055 1.522 31 2HB LYS 4 HB3 LYS 4 -1.357 4.944 2.759 32 1HG LYS 4 HG2 LYS 4 -2.730 3.071 0.790 33 2HG LYS 4 HG3 LYS 4 -2.069 2.578 2.348 34 1HD LYS 4 HD2 LYS 4 -3.451 4.448 3.425 35 2HD LYS 4 HD3 LYS 4 -4.305 4.595 1.875 36 1HE LYS 4 HE2 LYS 4 -5.080 2.323 2.008 37 2HE LYS 4 HE3 LYS 4 -4.002 1.954 3.359 38 1HZ LYS 4 HZ1 LYS 4 -6.265 3.809 3.475 39 2HZ LYS 4 HZ2 LYS 4 -6.219 2.263 4.056 40 3HZ LYS 4 HZ3 LYS 4 -5.253 3.417 4.725 41 H GLY 5 H GLY 5 -0.107 6.718 -1.013 42 1HA GLY 5 HA2 GLY 5 1.451 8.445 -1.026 43 2HA GLY 5 HA3 GLY 5 1.159 8.780 0.685 44 H TRP 6 H TRP 6 1.643 6.672 2.056 45 HA TRP 6 HA TRP 6 4.470 6.256 1.916 46 1HB TRP 6 HB2 TRP 6 4.230 4.925 3.863 47 2HB TRP 6 HB3 TRP 6 3.119 6.273 4.004 48 HD1 TRP 6 HD1 TRP 6 0.576 5.709 4.238 49 HE1 TRP 6 HE1 TRP 6 -0.795 3.548 4.487 50 HE3 TRP 6 HE3 TRP 6 4.219 2.250 3.155 51 HZ2 TRP 6 HZ2 TRP 6 -0.460 0.770 3.965 52 HZ3 TRP 6 HZ3 TRP 6 3.610 -0.161 3.010 53 HH2 TRP 6 HH2 TRP 6 1.313 -0.905 3.459 54 H HIS 7 H HIS 7 1.772 4.430 0.672 55 HA HIS 7 HA HIS 7 2.448 1.840 0.592 56 1HB HIS 7 HB2 HIS 7 1.125 1.659 -1.485 57 2HB HIS 7 HB3 HIS 7 0.392 2.737 -0.311 58 HD2 HIS 7 HD2 HIS 7 1.614 2.574 -3.873 59 HE1 HIS 7 HE1 HIS 7 0.991 6.718 -3.139 60 HE2 HIS 7 HE2 HIS 7 1.500 4.982 -4.920 61 H GLU 8 H GLU 8 3.553 4.121 -1.919 62 HA GLU 8 HA GLU 8 4.980 2.239 -3.448 63 1HB GLU 8 HB2 GLU 8 5.855 4.223 -4.604 64 2HB GLU 8 HB3 GLU 8 4.118 4.312 -4.311 65 1HG GLU 8 HG2 GLU 8 4.779 5.722 -2.170 66 2HG GLU 8 HG3 GLU 8 6.362 5.822 -2.937 67 H HIS 9 H HIS 9 5.957 3.877 -0.490 68 HA HIS 9 HA HIS 9 8.812 3.646 -0.951 69 1HB HIS 9 HB2 HIS 9 7.319 3.932 1.677 70 2HB HIS 9 HB3 HIS 9 9.002 4.324 1.337 71 HD2 HIS 9 HD2 HIS 9 8.183 5.978 -1.479 72 HE1 HIS 9 HE1 HIS 9 6.208 8.584 1.236 73 HE2 HIS 9 HE2 HIS 9 7.068 8.323 -1.149 74 H VAL 10 H VAL 10 6.264 1.437 -0.081 75 HA VAL 10 HA VAL 10 8.189 -0.531 1.064 76 HB VAL 10 HB VAL 10 5.177 -0.199 1.213 77 1HG1 VAL 10 1HG1 VAL 10 5.055 -2.216 2.519 78 2HG1 VAL 10 2HG1 VAL 10 5.727 -2.627 0.946 79 3HG1 VAL 10 3HG1 VAL 10 6.796 -2.505 2.358 80 1HG2 VAL 10 1HG2 VAL 10 6.470 1.175 2.799 81 2HG2 VAL 10 2HG2 VAL 10 5.712 -0.153 3.693 82 3HG2 VAL 10 3HG2 VAL 10 7.421 -0.243 3.287 83 H THR 11 H THR 11 9.133 -1.551 -0.651 84 HA THR 11 HA THR 11 7.932 -1.708 -3.225 85 HB THR 11 HB THR 11 9.903 -3.231 -3.677 86 HG1 THR 11 HG1 THR 11 11.411 -3.299 -1.851 87 1HG2 THR 11 1HG2 THR 11 10.580 -0.654 -2.201 88 2HG2 THR 11 2HG2 THR 11 11.596 -1.512 -3.381 89 3HG2 THR 11 3HG2 THR 11 10.056 -0.797 -3.895 90 H GLN 12 H GLN 12 7.529 -3.633 -4.436 91 HA GLN 12 HA GLN 12 5.787 -5.556 -3.322 92 1HB GLN 12 HB2 GLN 12 6.105 -4.943 -5.746 93 2HB GLN 12 HB3 GLN 12 7.573 -5.928 -5.751 94 1HG GLN 12 HG2 GLN 12 4.749 -6.905 -5.113 95 2HG GLN 12 HG3 GLN 12 5.551 -7.076 -6.681 96 1HE2 GLN 12 2HE2 GLN 12 4.600 -9.080 -4.425 97 2HE2 GLN 12 1HE2 GLN 12 6.051 -10.028 -4.120 98 H ASP 13 H ASP 13 9.333 -5.633 -3.851 99 HA ASP 13 HA ASP 13 9.762 -8.260 -2.867 100 1HB ASP 13 HB2 ASP 13 11.470 -6.963 -4.112 101 2HB ASP 13 HB3 ASP 13 11.636 -5.850 -2.739 102 H LEU 14 H LEU 14 9.720 -5.072 -1.068 103 HA LEU 14 HA LEU 14 10.245 -6.318 1.430 104 1HB LEU 14 HB2 LEU 14 10.482 -3.931 1.152 105 2HB LEU 14 HB3 LEU 14 8.762 -3.748 0.812 106 HG LEU 14 HG LEU 14 8.149 -4.334 3.039 107 1HD1 LEU 14 1HD1 LEU 14 9.822 -6.081 3.615 108 2HD1 LEU 14 2HD1 LEU 14 11.084 -4.855 3.706 109 3HD1 LEU 14 3HD1 LEU 14 9.734 -4.839 4.843 110 1HD2 LEU 14 1HD2 LEU 14 9.077 -1.994 2.513 111 2HD2 LEU 14 2HD2 LEU 14 8.962 -2.439 4.218 112 3HD2 LEU 14 3HD2 LEU 14 10.529 -2.476 3.396 113 H ARG 15 H ARG 15 7.117 -5.656 -0.230 114 HA ARG 15 HA ARG 15 5.407 -6.656 1.796 115 1HB ARG 15 HB2 ARG 15 5.125 -6.866 -1.221 116 2HB ARG 15 HB3 ARG 15 3.828 -7.186 -0.069 117 1HG ARG 15 HG2 ARG 15 3.818 -4.890 0.708 118 2HG ARG 15 HG3 ARG 15 5.315 -4.547 -0.132 119 1HD ARG 15 HD2 ARG 15 3.683 -5.405 -2.212 120 2HD ARG 15 HD3 ARG 15 2.563 -4.516 -1.165 121 HE ARG 15 HE ARG 15 4.815 -2.882 -1.349 122 1HH1 ARG 15 1HH2 ARG 15 2.533 -4.243 -3.682 123 2HH1 ARG 15 2HH2 ARG 15 2.815 -2.996 -4.868 124 1HH2 ARG 15 1HH1 ARG 15 5.136 -1.285 -2.781 125 2HH2 ARG 15 2HH1 ARG 15 4.314 -1.218 -4.333 126 H SER 16 H SER 16 7.030 -8.419 -0.864 127 HA SER 16 HA SER 16 6.200 -11.038 -0.232 128 1HB SER 16 HB2 SER 16 8.862 -10.179 -1.423 129 2HB SER 16 HB3 SER 16 8.104 -11.754 -1.577 130 HG SER 16 HG SER 16 7.193 -9.267 -2.600 131 H HIS 17 H HIS 17 9.086 -9.236 0.876 132 HA HIS 17 HA HIS 17 10.263 -11.280 2.422 133 1HB HIS 17 HB2 HIS 17 11.235 -9.090 1.580 134 2HB HIS 17 HB3 HIS 17 10.403 -8.277 2.904 135 HD2 HIS 17 HD2 HIS 17 11.675 -11.358 4.478 136 HE1 HIS 17 HE1 HIS 17 15.044 -8.762 4.493 137 HE2 HIS 17 HE2 HIS 17 14.079 -10.914 5.434 138 H LEU 18 H LEU 18 7.919 -8.704 3.294 139 HA LEU 18 HA LEU 18 7.723 -9.421 6.062 140 1HB LEU 18 HB2 LEU 18 5.892 -7.903 4.184 141 2HB LEU 18 HB3 LEU 18 5.535 -8.106 5.908 142 HG LEU 18 HG LEU 18 8.126 -6.889 4.870 143 1HD1 LEU 18 1HD1 LEU 18 5.577 -5.489 5.742 144 2HD1 LEU 18 2HD1 LEU 18 7.126 -4.695 5.380 145 3HD1 LEU 18 3HD1 LEU 18 6.241 -5.534 4.091 146 1HD2 LEU 18 1HD2 LEU 18 6.780 -6.734 7.597 147 2HD2 LEU 18 2HD2 LEU 18 8.255 -7.655 7.231 148 3HD2 LEU 18 3HD2 LEU 18 8.271 -5.900 7.116 149 H VAL 19 H VAL 19 5.700 -10.355 3.219 150 HA VAL 19 HA VAL 19 3.967 -12.127 4.542 151 HB VAL 19 HB VAL 19 5.148 -12.118 1.762 152 1HG1 VAL 19 1HG1 VAL 19 4.571 -14.513 2.302 153 2HG1 VAL 19 2HG1 VAL 19 2.910 -13.964 2.637 154 3HG1 VAL 19 3HG1 VAL 19 3.607 -13.780 1.023 155 1HG2 VAL 19 1HG2 VAL 19 2.850 -11.445 1.153 156 2HG2 VAL 19 2HG2 VAL 19 2.351 -11.568 2.856 157 3HG2 VAL 19 3HG2 VAL 19 3.519 -10.342 2.354 158 H HIS 20 H HIS 20 7.237 -12.884 3.198 159 HA HIS 20 HA HIS 20 7.408 -15.534 4.178 160 1HB HIS 20 HB2 HIS 20 9.078 -14.664 2.647 161 2HB HIS 20 HB3 HIS 20 9.504 -13.399 3.767 162 HD2 HIS 20 HD2 HIS 20 11.937 -13.976 3.689 163 HE1 HIS 20 HE1 HIS 20 11.848 -17.961 5.133 164 HE2 HIS 20 HE2 HIS 20 13.370 -16.039 4.492 165 H LYS 21 H LYS 21 8.411 -12.467 5.880 166 HA LYS 21 HA LYS 21 9.113 -13.715 8.315 167 1HB LYS 21 HB2 LYS 21 7.849 -10.979 7.912 168 2HB LYS 21 HB3 LYS 21 8.475 -11.572 9.438 169 1HG LYS 21 HG2 LYS 21 10.138 -11.061 6.948 170 2HG LYS 21 HG3 LYS 21 9.989 -10.079 8.395 171 1HD LYS 21 HD2 LYS 21 10.873 -11.981 9.782 172 2HD LYS 21 HD3 LYS 21 11.186 -12.874 8.281 173 1HE LYS 21 HE2 LYS 21 13.230 -11.819 9.029 174 2HE LYS 21 HE3 LYS 21 12.700 -11.060 7.518 175 1HZ LYS 21 HZ1 LYS 21 12.215 -9.953 10.208 176 2HZ LYS 21 HZ2 LYS 21 13.451 -9.510 9.216 177 3HZ LYS 21 HZ3 LYS 21 11.887 -9.220 8.771 178 H LEU 22 H LEU 22 5.825 -12.732 7.208 179 HA LEU 22 HA LEU 22 4.515 -13.405 9.664 180 1HB LEU 22 HB2 LEU 22 3.466 -13.685 6.833 181 2HB LEU 22 HB3 LEU 22 2.496 -13.777 8.291 182 HG LEU 22 HG LEU 22 3.980 -11.298 7.335 183 1HD1 LEU 22 1HD1 LEU 22 1.660 -10.473 6.935 184 2HD1 LEU 22 2HD1 LEU 22 2.092 -11.844 5.901 185 3HD1 LEU 22 3HD1 LEU 22 1.066 -12.111 7.321 186 1HD2 LEU 22 1HD2 LEU 22 3.809 -11.347 9.767 187 2HD2 LEU 22 2HD2 LEU 22 2.648 -10.179 9.140 188 3HD2 LEU 22 3HD2 LEU 22 2.084 -11.774 9.685 189 H VAL 23 H VAL 23 5.178 -15.411 6.744 190 HA VAL 23 HA VAL 23 4.067 -17.782 7.820 191 HB VAL 23 HB VAL 23 6.394 -17.601 5.881 192 1HG1 VAL 23 1HG1 VAL 23 6.272 -19.845 6.836 193 2HG1 VAL 23 2HG1 VAL 23 4.504 -19.871 6.667 194 3HG1 VAL 23 3HG1 VAL 23 5.533 -19.898 5.231 195 1HG2 VAL 23 1HG2 VAL 23 4.633 -17.994 4.171 196 2HG2 VAL 23 2HG2 VAL 23 3.384 -17.849 5.427 197 3HG2 VAL 23 3HG2 VAL 23 4.394 -16.456 4.992 198 H GLN 24 H GLN 24 7.474 -16.594 8.046 199 HA GLN 24 HA GLN 24 8.403 -18.762 9.649 200 1HB GLN 24 HB2 GLN 24 9.370 -15.865 9.701 201 2HB GLN 24 HB3 GLN 24 10.226 -17.278 10.324 202 1HG GLN 24 HG2 GLN 24 9.708 -16.549 7.426 203 2HG GLN 24 HG3 GLN 24 11.234 -16.779 8.255 204 1HE2 GLN 24 2HE2 GLN 24 9.645 -18.200 5.873 205 2HE2 GLN 24 1HE2 GLN 24 10.020 -19.896 6.255 206 H ALA 25 H ALA 25 6.985 -15.649 10.646 207 HA ALA 25 HA ALA 25 7.477 -15.967 13.419 208 1HB ALA 25 HB1 ALA 25 6.963 -13.801 12.317 209 2HB ALA 25 HB2 ALA 25 5.290 -14.341 12.049 210 3HB ALA 25 HB3 ALA 25 5.917 -14.144 13.703 211 H ILE 26 H ILE 26 4.615 -16.789 11.397 212 HA ILE 26 HA ILE 26 3.067 -17.941 13.542 213 HB ILE 26 HB ILE 26 3.071 -18.423 10.542 214 1HG1 ILE 26 2HG1 ILE 26 1.192 -16.794 12.309 215 2HG1 ILE 26 3HG1 ILE 26 2.516 -16.078 11.393 216 1HG2 ILE 26 1HG2 ILE 26 1.010 -19.239 12.645 217 2HG2 ILE 26 2HG2 ILE 26 0.848 -19.450 10.889 218 3HG2 ILE 26 3HG2 ILE 26 2.068 -20.357 11.765 219 1HD1 ILE 26 1HD1 ILE 26 1.531 -16.938 9.273 220 2HD1 ILE 26 2HD1 ILE 26 0.101 -17.473 10.190 221 3HD1 ILE 26 3HD1 ILE 26 0.522 -15.758 10.130 222 H PHE 27 H PHE 27 5.070 -19.397 10.988 223 HA PHE 27 HA PHE 27 5.510 -21.892 12.563 224 1HB PHE 27 HB2 PHE 27 3.686 -21.991 10.898 225 2HB PHE 27 HB3 PHE 27 4.811 -21.514 9.637 226 HD1 PHE 27 HD1 PHE 27 3.573 -24.241 11.740 227 HD2 PHE 27 HD2 PHE 27 6.579 -23.110 8.859 228 HE1 PHE 27 HE1 PHE 27 3.847 -26.605 11.086 229 HE2 PHE 27 HE2 PHE 27 6.890 -25.475 8.253 230 HZ PHE 27 HZ PHE 27 5.546 -27.247 9.378 231 HA PRO 28 HA PRO 28 9.567 -20.201 11.089 232 1HB PRO 28 HB2 PRO 28 11.226 -21.440 12.852 233 2HB PRO 28 HB3 PRO 28 10.278 -19.977 13.241 234 1HG PRO 28 HG2 PRO 28 9.557 -22.846 13.879 235 2HG PRO 28 HG3 PRO 28 9.521 -21.437 14.981 236 1HD PRO 28 HD2 PRO 28 7.294 -22.337 13.738 237 2HD PRO 28 HD3 PRO 28 7.555 -20.577 13.938 238 H THR 29 H THR 29 9.903 -21.126 9.102 239 HA THR 29 HA THR 29 9.599 -23.901 8.631 240 HB THR 29 HB THR 29 10.438 -23.372 6.373 241 HG1 THR 29 HG1 THR 29 11.195 -20.999 7.625 242 1HG2 THR 29 1HG2 THR 29 8.079 -23.003 6.940 243 2HG2 THR 29 2HG2 THR 29 8.434 -21.335 7.439 244 3HG2 THR 29 3HG2 THR 29 8.659 -21.824 5.747 245 HA PRO 30 HA PRO 30 13.734 -25.465 9.685 246 1HB PRO 30 HB2 PRO 30 13.102 -27.175 7.271 247 2HB PRO 30 HB3 PRO 30 13.886 -27.663 8.801 248 1HG PRO 30 HG2 PRO 30 11.254 -28.182 8.441 249 2HG PRO 30 HG3 PRO 30 11.800 -27.473 9.991 250 1HD PRO 30 HD2 PRO 30 10.520 -26.051 7.645 251 2HD PRO 30 HD3 PRO 30 10.209 -25.880 9.403 252 H ASP 31 H ASP 31 12.763 -24.699 6.307 253 HA ASP 31 HA ASP 31 15.241 -23.202 5.924 254 1HB ASP 31 HB2 ASP 31 15.610 -25.636 5.152 255 2HB ASP 31 HB3 ASP 31 14.393 -25.339 3.916 256 HA PRO 32 HA PRO 32 12.055 -20.634 3.878 257 1HB PRO 32 HB2 PRO 32 14.477 -20.021 2.156 258 2HB PRO 32 HB3 PRO 32 13.199 -18.896 2.708 259 1HG PRO 32 HG2 PRO 32 15.555 -18.981 4.043 260 2HG PRO 32 HG3 PRO 32 14.032 -19.000 4.980 261 1HD PRO 32 HD2 PRO 32 15.822 -21.326 4.297 262 2HD PRO 32 HD3 PRO 32 14.983 -20.946 5.829 263 H ALA 33 H ALA 33 14.372 -22.655 1.997 264 HA ALA 33 HA ALA 33 12.986 -22.829 -0.431 265 1HB ALA 33 HB1 ALA 33 14.251 -24.903 -0.765 266 2HB ALA 33 HB2 ALA 33 15.280 -23.664 -0.017 267 3HB ALA 33 HB3 ALA 33 14.615 -24.989 0.969 268 H ALA 34 H ALA 34 12.124 -24.251 2.666 269 HA ALA 34 HA ALA 34 10.484 -26.387 1.629 270 1HB ALA 34 HB1 ALA 34 9.825 -26.692 3.919 271 2HB ALA 34 HB2 ALA 34 11.566 -26.318 3.911 272 3HB ALA 34 HB3 ALA 34 10.382 -25.072 4.367 273 H LEU 35 H LEU 35 9.998 -22.944 1.751 274 HA LEU 35 HA LEU 35 7.272 -22.757 2.395 275 1HB LEU 35 HB2 LEU 35 8.996 -21.186 0.449 276 2HB LEU 35 HB3 LEU 35 7.339 -20.720 0.829 277 HG LEU 35 HG LEU 35 9.439 -21.028 3.013 278 1HD1 LEU 35 1HD1 LEU 35 10.206 -19.329 1.358 279 2HD1 LEU 35 2HD1 LEU 35 8.639 -18.504 1.493 280 3HD1 LEU 35 3HD1 LEU 35 9.728 -18.589 2.893 281 1HD2 LEU 35 1HD2 LEU 35 7.927 -19.542 4.259 282 2HD2 LEU 35 2HD2 LEU 35 6.799 -19.513 2.890 283 3HD2 LEU 35 3HD2 LEU 35 7.089 -21.023 3.775 284 H LYS 36 H LYS 36 8.735 -23.793 -0.667 285 HA LYS 36 HA LYS 36 6.171 -23.706 -2.096 286 1HB LYS 36 HB2 LYS 36 7.469 -24.689 -3.965 287 2HB LYS 36 HB3 LYS 36 8.053 -23.142 -3.346 288 1HG LYS 36 HG2 LYS 36 9.903 -24.142 -2.221 289 2HG LYS 36 HG3 LYS 36 9.285 -25.784 -2.503 290 1HD LYS 36 HD2 LYS 36 9.569 -25.394 -4.972 291 2HD LYS 36 HD3 LYS 36 10.289 -23.815 -4.612 292 1HE LYS 36 HE2 LYS 36 11.349 -26.546 -3.720 293 2HE LYS 36 HE3 LYS 36 12.028 -25.529 -5.001 294 1HZ LYS 36 HZ1 LYS 36 11.895 -24.849 -2.142 295 2HZ LYS 36 HZ2 LYS 36 13.239 -25.285 -2.989 296 3HZ LYS 36 HZ3 LYS 36 12.482 -23.863 -3.330 297 H ASP 37 H ASP 37 5.466 -25.063 -0.087 298 HA ASP 37 HA ASP 37 5.382 -27.957 -0.895 299 1HB ASP 37 HB2 ASP 37 6.823 -27.854 1.010 300 2HB ASP 37 HB3 ASP 37 5.731 -26.765 1.869 301 H ARG 38 H ARG 38 3.435 -28.937 -0.745 302 HA ARG 38 HA ARG 38 1.140 -27.595 -1.287 303 1HB ARG 38 HB2 ARG 38 1.142 -30.230 0.211 304 2HB ARG 38 HB3 ARG 38 -0.060 -29.633 -0.931 305 1HG ARG 38 HG2 ARG 38 2.761 -30.619 -1.553 306 2HG ARG 38 HG3 ARG 38 1.235 -31.397 -1.906 307 1HD ARG 38 HD2 ARG 38 1.960 -30.500 -3.981 308 2HD ARG 38 HD3 ARG 38 0.613 -29.509 -3.434 309 HE ARG 38 HE ARG 38 1.983 -27.691 -3.425 310 1HH1 ARG 38 1HH1 ARG 38 4.077 -30.545 -3.286 311 2HH1 ARG 38 2HH1 ARG 38 5.554 -29.614 -3.339 312 1HH2 ARG 38 1HH2 ARG 38 3.872 -26.508 -3.545 313 2HH2 ARG 38 2HH2 ARG 38 5.442 -27.260 -3.340 314 H ARG 39 H ARG 39 2.211 -28.522 2.014 315 HA ARG 39 HA ARG 39 -0.264 -27.569 3.251 316 1HB ARG 39 HB2 ARG 39 2.457 -28.193 4.477 317 2HB ARG 39 HB3 ARG 39 0.978 -27.798 5.358 318 1HG ARG 39 HG2 ARG 39 -0.155 -29.772 4.365 319 2HG ARG 39 HG3 ARG 39 1.336 -30.202 3.510 320 1HD ARG 39 HD2 ARG 39 2.539 -30.423 5.644 321 2HD ARG 39 HD3 ARG 39 1.093 -29.991 6.554 322 HE ARG 39 HE ARG 39 1.767 -32.539 5.326 323 1HH1 ARG 39 1HH1 ARG 39 -0.958 -30.542 6.353 324 2HH1 ARG 39 2HH1 ARG 39 -2.031 -31.889 6.623 325 1HH2 ARG 39 1HH2 ARG 39 0.377 -34.307 5.653 326 2HH2 ARG 39 2HH2 ARG 39 -1.259 -34.067 6.200 327 H MET 40 H MET 40 3.126 -26.398 3.042 328 HA MET 40 HA MET 40 2.819 -24.025 4.458 329 1HB MET 40 HB2 MET 40 4.677 -24.758 2.166 330 2HB MET 40 HB3 MET 40 4.845 -23.290 3.117 331 1HG MET 40 HG2 MET 40 5.060 -26.144 4.149 332 2HG MET 40 HG3 MET 40 6.357 -24.965 3.973 333 1HE MET 40 HE1 MET 40 6.346 -22.646 5.337 334 2HE MET 40 HE2 MET 40 4.600 -22.331 5.208 335 3HE MET 40 HE3 MET 40 5.374 -22.372 6.803 336 H GLU 41 H GLU 41 2.211 -24.563 1.002 337 HA GLU 41 HA GLU 41 1.735 -22.028 0.059 338 1HB GLU 41 HB2 GLU 41 0.281 -24.639 -0.391 339 2HB GLU 41 HB3 GLU 41 -0.175 -23.174 -1.274 340 1HG GLU 41 HG2 GLU 41 1.967 -22.931 -2.280 341 2HG GLU 41 HG3 GLU 41 2.720 -24.105 -1.203 342 H ASN 42 H ASN 42 -0.335 -23.771 2.346 343 HA ASN 42 HA ASN 42 -2.582 -21.946 2.196 344 1HB ASN 42 HB2 ASN 42 -1.700 -23.839 4.422 345 2HB ASN 42 HB3 ASN 42 -3.197 -22.920 4.394 346 1HD2 ASN 42 2HD2 ASN 42 -1.380 -25.525 2.785 347 2HD2 ASN 42 1HD2 ASN 42 -2.757 -26.211 1.939 348 H LEU 43 H LEU 43 0.284 -22.194 4.312 349 HA LEU 43 HA LEU 43 -0.433 -19.945 6.000 350 1HB LEU 43 HB2 LEU 43 2.232 -21.366 5.539 351 2HB LEU 43 HB3 LEU 43 1.985 -19.996 6.620 352 HG LEU 43 HG LEU 43 0.163 -21.376 7.791 353 1HD1 LEU 43 1HD1 LEU 43 1.637 -23.639 6.367 354 2HD1 LEU 43 2HD1 LEU 43 0.509 -23.838 7.717 355 3HD1 LEU 43 3HD1 LEU 43 -0.086 -23.243 6.170 356 1HD2 LEU 43 1HD2 LEU 43 1.846 -22.498 9.201 357 2HD2 LEU 43 2HD2 LEU 43 3.075 -22.263 7.944 358 3HD2 LEU 43 3HD2 LEU 43 2.352 -20.854 8.765 359 H VAL 44 H VAL 44 1.632 -20.399 3.121 360 HA VAL 44 HA VAL 44 2.532 -17.724 2.816 361 HB VAL 44 HB VAL 44 1.919 -19.892 0.795 362 1HG1 VAL 44 1HG1 VAL 44 3.365 -17.250 0.370 363 2HG1 VAL 44 2HG1 VAL 44 3.376 -18.612 -0.771 364 3HG1 VAL 44 3HG1 VAL 44 1.860 -17.777 -0.421 365 1HG2 VAL 44 1HG2 VAL 44 4.331 -20.252 0.781 366 2HG2 VAL 44 2HG2 VAL 44 4.580 -18.879 1.877 367 3HG2 VAL 44 3HG2 VAL 44 3.774 -20.347 2.456 368 H ALA 45 H ALA 45 -0.411 -19.311 1.448 369 HA ALA 45 HA ALA 45 -1.494 -17.042 0.202 370 1HB ALA 45 HB1 ALA 45 -2.319 -19.315 -0.178 371 2HB ALA 45 HB2 ALA 45 -2.946 -19.398 1.481 372 3HB ALA 45 HB3 ALA 45 -3.641 -18.249 0.324 373 H TYR 46 H TYR 46 -2.127 -18.269 3.537 374 HA TYR 46 HA TYR 46 -3.866 -16.197 4.363 375 1HB TYR 46 HB2 TYR 46 -3.432 -18.273 5.658 376 2HB TYR 46 HB3 TYR 46 -1.791 -17.747 6.002 377 HD1 TYR 46 HD1 TYR 46 -1.344 -15.896 7.596 378 HD2 TYR 46 HD2 TYR 46 -5.369 -17.196 6.747 379 HE1 TYR 46 HE1 TYR 46 -2.200 -14.452 9.418 380 HE2 TYR 46 HE2 TYR 46 -6.206 -15.834 8.631 381 HH TYR 46 HH TYR 46 -5.662 -14.391 10.322 382 H ALA 47 H ALA 47 -0.284 -16.376 4.657 383 HA ALA 47 HA ALA 47 0.083 -13.848 5.883 384 1HB ALA 47 HB1 ALA 47 2.412 -14.070 4.930 385 2HB ALA 47 HB2 ALA 47 1.857 -15.501 5.826 386 3HB ALA 47 HB3 ALA 47 1.877 -15.512 4.054 387 H LYS 48 H LYS 48 0.037 -14.697 2.368 388 HA LYS 48 HA LYS 48 0.494 -12.060 1.400 389 1HB LYS 48 HB2 LYS 48 -1.039 -14.410 0.226 390 2HB LYS 48 HB3 LYS 48 -0.809 -12.875 -0.624 391 1HG LYS 48 HG2 LYS 48 1.614 -13.096 -0.512 392 2HG LYS 48 HG3 LYS 48 1.472 -14.601 0.420 393 1HD LYS 48 HD2 LYS 48 0.354 -15.715 -1.443 394 2HD LYS 48 HD3 LYS 48 0.324 -14.206 -2.380 395 1HE LYS 48 HE2 LYS 48 2.795 -14.162 -2.442 396 2HE LYS 48 HE3 LYS 48 2.864 -15.638 -1.466 397 1HZ LYS 48 HZ1 LYS 48 1.671 -15.405 -4.138 398 2HZ LYS 48 HZ2 LYS 48 3.122 -16.097 -3.780 399 3HZ LYS 48 HZ3 LYS 48 1.727 -16.781 -3.232 400 H LYS 49 H LYS 49 -2.606 -13.758 2.060 401 HA LYS 49 HA LYS 49 -4.369 -11.653 1.434 402 1HB LYS 49 HB2 LYS 49 -4.513 -13.958 3.395 403 2HB LYS 49 HB3 LYS 49 -5.852 -12.839 3.205 404 1HG LYS 49 HG2 LYS 49 -6.012 -13.362 0.828 405 2HG LYS 49 HG3 LYS 49 -4.595 -14.423 0.926 406 1HD LYS 49 HD2 LYS 49 -5.792 -15.916 2.493 407 2HD LYS 49 HD3 LYS 49 -7.173 -14.809 2.526 408 1HE LYS 49 HE2 LYS 49 -7.680 -16.681 1.055 409 2HE LYS 49 HE3 LYS 49 -7.561 -15.194 0.100 410 1HZ LYS 49 HZ1 LYS 49 -5.463 -17.228 0.391 411 2HZ LYS 49 HZ2 LYS 49 -6.427 -17.020 -0.928 412 3HZ LYS 49 HZ3 LYS 49 -5.340 -15.854 -0.511 413 H VAL 50 H VAL 50 -2.978 -12.455 4.647 414 HA VAL 50 HA VAL 50 -4.180 -10.218 5.919 415 HB VAL 50 HB VAL 50 -2.529 -12.464 6.693 416 1HG1 VAL 50 1HG1 VAL 50 -0.725 -10.897 7.087 417 2HG1 VAL 50 2HG1 VAL 50 -1.777 -9.906 8.136 418 3HG1 VAL 50 3HG1 VAL 50 -1.358 -11.576 8.590 419 1HG2 VAL 50 1HG2 VAL 50 -3.702 -12.140 8.820 420 2HG2 VAL 50 2HG2 VAL 50 -4.276 -10.551 8.281 421 3HG2 VAL 50 3HG2 VAL 50 -4.821 -12.027 7.449 422 H GLU 51 H GLU 51 -0.839 -10.571 4.532 423 HA GLU 51 HA GLU 51 0.018 -7.991 5.292 424 1HB GLU 51 HB2 GLU 51 1.488 -9.752 4.492 425 2HB GLU 51 HB3 GLU 51 0.792 -9.646 2.872 426 1HG GLU 51 HG2 GLU 51 2.062 -7.238 4.265 427 2HG GLU 51 HG3 GLU 51 3.051 -8.409 3.401 428 H GLY 52 H GLY 52 -1.687 -9.084 2.329 429 1HA GLY 52 HA2 GLY 52 -1.953 -6.621 1.000 430 2HA GLY 52 HA3 GLY 52 -3.124 -7.955 0.949 431 H ASP 53 H ASP 53 -4.233 -8.145 3.340 432 HA ASP 53 HA ASP 53 -6.105 -6.093 3.543 433 1HB ASP 53 HB2 ASP 53 -6.403 -8.309 4.540 434 2HB ASP 53 HB3 ASP 53 -5.136 -7.968 5.725 435 H MET 54 H MET 54 -3.138 -6.512 5.568 436 HA MET 54 HA MET 54 -3.551 -4.092 7.027 437 1HB MET 54 HB2 MET 54 -0.944 -5.544 6.474 438 2HB MET 54 HB3 MET 54 -1.185 -4.247 7.637 439 1HG MET 54 HG2 MET 54 -2.312 -7.051 7.722 440 2HG MET 54 HG3 MET 54 -1.297 -6.230 8.894 441 1HE MET 54 HE1 MET 54 -4.337 -7.040 11.004 442 2HE MET 54 HE2 MET 54 -3.683 -8.016 9.658 443 3HE MET 54 HE3 MET 54 -2.573 -7.141 10.745 444 H TYR 55 H TYR 55 -1.752 -4.707 3.972 445 HA TYR 55 HA TYR 55 -0.657 -2.119 3.696 446 1HB TYR 55 HB2 TYR 55 -0.210 -4.244 2.336 447 2HB TYR 55 HB3 TYR 55 -1.635 -3.848 1.395 448 HD1 TYR 55 HD1 TYR 55 -1.621 -1.829 -0.102 449 HD2 TYR 55 HD2 TYR 55 1.886 -3.105 2.054 450 HE1 TYR 55 HE1 TYR 55 -0.175 -0.581 -1.685 451 HE2 TYR 55 HE2 TYR 55 3.312 -1.796 0.521 452 HH TYR 55 HH TYR 55 3.347 -0.243 -1.243 453 H GLU 56 H GLU 56 -3.812 -3.419 2.536 454 HA GLU 56 HA GLU 56 -4.773 -0.965 1.463 455 1HB GLU 56 HB2 GLU 56 -6.235 -3.394 2.566 456 2HB GLU 56 HB3 GLU 56 -6.977 -2.121 1.599 457 1HG GLU 56 HG2 GLU 56 -4.742 -3.953 0.642 458 2HG GLU 56 HG3 GLU 56 -6.441 -4.096 0.233 459 H SER 57 H SER 57 -4.930 -2.296 4.765 460 HA SER 57 HA SER 57 -6.855 -0.325 5.668 461 1HB SER 57 HB2 SER 57 -5.012 -2.138 7.277 462 2HB SER 57 HB3 SER 57 -6.425 -1.255 7.881 463 HG SER 57 HG SER 57 -6.395 -3.317 5.919 464 H ALA 58 H ALA 58 -3.323 -0.659 6.021 465 HA ALA 58 HA ALA 58 -2.926 1.179 8.067 466 1HB ALA 58 HB1 ALA 58 -0.565 1.104 7.357 467 2HB ALA 58 HB2 ALA 58 -1.345 -0.473 7.597 468 3HB ALA 58 HB3 ALA 58 -1.067 0.129 5.957 469 H ASN 59 H ASN 59 -3.287 3.261 8.157 470 HA ASN 59 HA ASN 59 -3.257 5.074 5.900 471 1HB ASN 59 HB2 ASN 59 -3.624 6.814 7.574 472 2HB ASN 59 HB3 ASN 59 -4.708 5.437 7.801 473 1HD2 ASN 59 2HD2 ASN 59 -5.094 6.003 10.023 474 2HD2 ASN 59 1HD2 ASN 59 -3.869 5.661 11.232 475 H SER 60 H SER 60 -0.636 3.676 7.567 476 HA SER 60 HA SER 60 1.289 5.631 6.549 477 1HB SER 60 HB2 SER 60 0.746 6.768 8.579 478 2HB SER 60 HB3 SER 60 0.713 5.266 9.516 479 HG SER 60 HG SER 60 2.692 6.584 9.660 480 H ARG 61 H ARG 61 3.374 4.744 6.578 481 HA ARG 61 HA ARG 61 3.719 1.926 6.417 482 1HB ARG 61 HB2 ARG 61 5.172 3.573 5.382 483 2HB ARG 61 HB3 ARG 61 5.726 4.157 6.961 484 1HG ARG 61 HG2 ARG 61 6.848 2.048 7.417 485 2HG ARG 61 HG3 ARG 61 6.076 1.277 6.011 486 1HD ARG 61 HD2 ARG 61 7.141 2.868 4.527 487 2HD ARG 61 HD3 ARG 61 7.994 3.630 5.885 488 HE ARG 61 HE ARG 61 8.923 1.241 6.294 489 1HH1 ARG 61 2HH2 ARG 61 8.569 2.825 3.153 490 2HH1 ARG 61 1HH2 ARG 61 9.647 1.749 2.313 491 1HH2 ARG 61 1HH1 ARG 61 10.499 0.041 5.348 492 2HH2 ARG 61 2HH1 ARG 61 10.903 0.197 3.647 493 H ASP 62 H ASP 62 4.138 4.293 9.036 494 HA ASP 62 HA ASP 62 5.240 2.540 11.005 495 1HB ASP 62 HB2 ASP 62 5.209 4.978 11.273 496 2HB ASP 62 HB3 ASP 62 3.440 4.952 11.401 497 H GLU 63 H GLU 63 1.841 3.340 10.192 498 HA GLU 63 HA GLU 63 0.646 1.654 12.165 499 1HB GLU 63 HB2 GLU 63 -0.589 3.425 11.037 500 2HB GLU 63 HB3 GLU 63 -0.517 2.561 9.489 501 1HG GLU 63 HG2 GLU 63 -1.958 0.859 10.205 502 2HG GLU 63 HG3 GLU 63 -1.756 1.219 11.913 503 H TYR 64 H TYR 64 1.396 1.115 8.700 504 HA TYR 64 HA TYR 64 0.589 -1.517 8.371 505 1HB TYR 64 HB2 TYR 64 1.336 -0.120 6.558 506 2HB TYR 64 HB3 TYR 64 2.940 -0.008 7.240 507 HD1 TYR 64 HD1 TYR 64 4.631 -1.338 6.405 508 HD2 TYR 64 HD2 TYR 64 0.528 -2.591 5.963 509 HE1 TYR 64 HE1 TYR 64 5.331 -3.057 4.781 510 HE2 TYR 64 HE2 TYR 64 1.236 -4.337 4.356 511 HH TYR 64 HH TYR 64 2.988 -5.120 3.059 512 H TYR 65 H TYR 65 3.849 -0.460 9.536 513 HA TYR 65 HA TYR 65 4.705 -3.134 10.151 514 1HB TYR 65 HB2 TYR 65 5.620 -0.368 10.889 515 2HB TYR 65 HB3 TYR 65 6.142 -1.702 11.906 516 HD1 TYR 65 HD1 TYR 65 6.248 -0.416 8.403 517 HD2 TYR 65 HD2 TYR 65 7.641 -3.409 11.171 518 HE1 TYR 65 HE1 TYR 65 7.709 -1.349 6.649 519 HE2 TYR 65 HE2 TYR 65 9.121 -4.341 9.415 520 HH TYR 65 HH TYR 65 9.092 -3.105 6.075 521 H HIS 66 H HIS 66 3.253 -0.624 12.286 522 HA HIS 66 HA HIS 66 3.295 -2.088 14.656 523 1HB HIS 66 HB2 HIS 66 2.767 0.253 14.645 524 2HB HIS 66 HB3 HIS 66 1.312 -0.023 13.683 525 HD2 HIS 66 HD2 HIS 66 -0.768 0.294 15.166 526 HE1 HIS 66 HE1 HIS 66 0.534 -1.749 18.668 527 HE2 HIS 66 HE2 HIS 66 -1.414 -0.523 17.574 528 H LEU 67 H LEU 67 0.396 -1.863 12.461 529 HA LEU 67 HA LEU 67 -0.913 -3.833 14.077 530 1HB LEU 67 HB2 LEU 67 -2.668 -3.941 12.294 531 2HB LEU 67 HB3 LEU 67 -2.462 -2.479 13.250 532 HG LEU 67 HG LEU 67 -1.480 -1.285 11.444 533 1HD1 LEU 67 1HD1 LEU 67 -1.368 -2.405 9.140 534 2HD1 LEU 67 2HD1 LEU 67 -0.151 -2.931 10.312 535 3HD1 LEU 67 3HD1 LEU 67 -1.549 -3.956 9.988 536 1HD2 LEU 67 1HD2 LEU 67 -3.893 -2.806 10.432 537 2HD2 LEU 67 2HD2 LEU 67 -3.914 -1.378 11.510 538 3HD2 LEU 67 3HD2 LEU 67 -3.305 -1.233 9.854 539 H LEU 68 H LEU 68 1.219 -4.243 11.275 540 HA LEU 68 HA LEU 68 0.497 -7.026 10.931 541 1HB LEU 68 HB2 LEU 68 2.989 -5.425 10.270 542 2HB LEU 68 HB3 LEU 68 2.970 -7.179 10.098 543 HG LEU 68 HG LEU 68 0.901 -5.417 8.750 544 1HD1 LEU 68 1HD1 LEU 68 2.219 -5.758 6.685 545 2HD1 LEU 68 2HD1 LEU 68 3.118 -4.802 7.881 546 3HD1 LEU 68 3HD1 LEU 68 3.516 -6.516 7.631 547 1HD2 LEU 68 1HD2 LEU 68 0.371 -7.927 9.001 548 2HD2 LEU 68 2HD2 LEU 68 0.543 -7.379 7.339 549 3HD2 LEU 68 3HD2 LEU 68 1.870 -8.250 8.118 550 H ALA 69 H ALA 69 3.138 -5.445 12.815 551 HA ALA 69 HA ALA 69 4.096 -7.820 14.020 552 1HB ALA 69 HB1 ALA 69 5.286 -5.689 14.092 553 2HB ALA 69 HB2 ALA 69 4.028 -4.987 15.138 554 3HB ALA 69 HB3 ALA 69 5.041 -6.323 15.733 555 H GLU 70 H GLU 70 1.541 -5.561 15.179 556 HA GLU 70 HA GLU 70 0.877 -6.972 17.520 557 1HB GLU 70 HB2 GLU 70 0.155 -4.655 16.913 558 2HB GLU 70 HB3 GLU 70 -0.939 -5.347 15.701 559 1HG GLU 70 HG2 GLU 70 -2.155 -4.753 17.702 560 2HG GLU 70 HG3 GLU 70 -2.210 -6.505 17.484 561 H LYS 71 H LYS 71 -0.445 -7.345 14.154 562 HA LYS 71 HA LYS 71 -2.367 -9.295 14.765 563 1HB LYS 71 HB2 LYS 71 -2.267 -8.090 12.699 564 2HB LYS 71 HB3 LYS 71 -0.753 -8.876 12.237 565 1HG LYS 71 HG2 LYS 71 -2.616 -9.811 11.038 566 2HG LYS 71 HG3 LYS 71 -1.923 -11.042 12.092 567 1HD LYS 71 HD2 LYS 71 -3.729 -10.907 13.630 568 2HD LYS 71 HD3 LYS 71 -4.297 -9.360 12.964 569 1HE LYS 71 HE2 LYS 71 -4.964 -10.472 10.867 570 2HE LYS 71 HE3 LYS 71 -4.352 -12.021 11.471 571 1HZ LYS 71 HZ1 LYS 71 -5.973 -11.918 13.213 572 2HZ LYS 71 HZ2 LYS 71 -6.534 -10.466 12.667 573 3HZ LYS 71 HZ3 LYS 71 -6.705 -11.816 11.740 574 H ILE 72 H ILE 72 1.065 -9.710 13.755 575 HA ILE 72 HA ILE 72 1.233 -12.538 13.897 576 HB ILE 72 HB ILE 72 3.284 -10.405 14.606 577 1HG1 ILE 72 2HG1 ILE 72 3.032 -12.050 12.069 578 2HG1 ILE 72 3HG1 ILE 72 2.457 -10.380 12.244 579 1HG2 ILE 72 1HG2 ILE 72 3.913 -12.511 15.668 580 2HG2 ILE 72 2HG2 ILE 72 3.719 -13.370 14.128 581 3HG2 ILE 72 3HG2 ILE 72 4.993 -12.131 14.342 582 1HD1 ILE 72 1HD1 ILE 72 5.306 -11.334 12.224 583 2HD1 ILE 72 2HD1 ILE 72 4.514 -10.017 11.333 584 3HD1 ILE 72 3HD1 ILE 72 4.855 -9.822 13.050 585 H TYR 73 H TYR 73 1.890 -10.100 16.414 586 HA TYR 73 HA TYR 73 2.525 -11.721 18.568 587 1HB TYR 73 HB2 TYR 73 2.565 -9.193 18.202 588 2HB TYR 73 HB3 TYR 73 0.916 -9.176 18.788 589 HD1 TYR 73 HD1 TYR 73 1.033 -10.982 21.141 590 HD2 TYR 73 HD2 TYR 73 3.940 -8.122 19.716 591 HE1 TYR 73 HE1 TYR 73 1.519 -10.301 23.456 592 HE2 TYR 73 HE2 TYR 73 4.192 -7.250 21.975 593 HH TYR 73 HH TYR 73 3.495 -7.393 24.190 594 H LYS 74 H LYS 74 -0.722 -10.460 17.727 595 HA LYS 74 HA LYS 74 -2.176 -11.893 19.698 596 1HB LYS 74 HB2 LYS 74 -3.035 -10.852 16.964 597 2HB LYS 74 HB3 LYS 74 -4.117 -11.614 18.139 598 1HG LYS 74 HG2 LYS 74 -3.447 -9.895 19.851 599 2HG LYS 74 HG3 LYS 74 -2.469 -9.095 18.622 600 1HD LYS 74 HD2 LYS 74 -4.579 -7.949 18.823 601 2HD LYS 74 HD3 LYS 74 -4.519 -8.734 17.236 602 1HE LYS 74 HE2 LYS 74 -6.013 -10.528 18.017 603 2HE LYS 74 HE3 LYS 74 -5.901 -9.949 19.687 604 1HZ LYS 74 HZ1 LYS 74 -7.099 -8.499 17.430 605 2HZ LYS 74 HZ2 LYS 74 -7.916 -9.274 18.632 606 3HZ LYS 74 HZ3 LYS 74 -7.005 -7.947 18.981 607 H ILE 75 H ILE 75 -1.578 -12.833 16.237 608 HA ILE 75 HA ILE 75 -2.946 -15.314 16.324 609 HB ILE 75 HB ILE 75 -0.431 -14.500 14.800 610 1HG1 ILE 75 2HG1 ILE 75 -3.336 -14.820 13.897 611 2HG1 ILE 75 3HG1 ILE 75 -2.636 -13.272 14.351 612 1HG2 ILE 75 1HG2 ILE 75 -0.956 -16.493 13.347 613 2HG2 ILE 75 2HG2 ILE 75 -0.478 -16.956 14.967 614 3HG2 ILE 75 3HG2 ILE 75 -2.196 -16.975 14.516 615 1HD1 ILE 75 1HD1 ILE 75 -2.559 -13.418 11.965 616 2HD1 ILE 75 2HD1 ILE 75 -0.895 -13.541 12.566 617 3HD1 ILE 75 3HD1 ILE 75 -1.761 -14.988 11.994 618 H GLN 76 H GLN 76 0.519 -14.662 17.180 619 HA GLN 76 HA GLN 76 0.978 -17.341 18.010 620 1HB GLN 76 HB2 GLN 76 2.232 -14.670 18.686 621 2HB GLN 76 HB3 GLN 76 2.768 -16.102 19.537 622 1HG GLN 76 HG2 GLN 76 2.893 -15.698 16.524 623 2HG GLN 76 HG3 GLN 76 4.257 -15.737 17.654 624 1HE2 GLN 76 2HE2 GLN 76 3.957 -17.560 15.352 625 2HE2 GLN 76 1HE2 GLN 76 3.575 -19.154 15.995 626 H LYS 77 H LYS 77 0.110 -14.536 20.089 627 HA LYS 77 HA LYS 77 -0.066 -15.883 22.538 628 1HB LYS 77 HB2 LYS 77 -1.680 -13.592 21.392 629 2HB LYS 77 HB3 LYS 77 -1.819 -14.067 23.072 630 1HG LYS 77 HG2 LYS 77 0.795 -13.175 21.813 631 2HG LYS 77 HG3 LYS 77 -0.367 -12.117 22.624 632 1HD LYS 77 HD2 LYS 77 0.866 -12.489 24.467 633 2HD LYS 77 HD3 LYS 77 -0.049 -13.989 24.570 634 1HE LYS 77 HE2 LYS 77 1.855 -15.045 23.157 635 2HE LYS 77 HE3 LYS 77 2.720 -13.527 23.374 636 1HZ LYS 77 HZ1 LYS 77 3.379 -15.097 25.016 637 2HZ LYS 77 HZ2 LYS 77 2.564 -13.876 25.757 638 3HZ LYS 77 HZ3 LYS 77 1.830 -15.330 25.529 639 H GLU 78 H GLU 78 -2.635 -15.516 20.126 640 HA GLU 78 HA GLU 78 -4.597 -16.918 21.732 641 1HB GLU 78 HB2 GLU 78 -4.574 -16.002 18.831 642 2HB GLU 78 HB3 GLU 78 -5.981 -16.700 19.652 643 1HG GLU 78 HG2 GLU 78 -4.572 -14.140 20.507 644 2HG GLU 78 HG3 GLU 78 -6.080 -14.238 19.601 645 H LEU 79 H LEU 79 -2.893 -17.715 18.687 646 HA LEU 79 HA LEU 79 -4.227 -20.241 18.434 647 1HB LEU 79 HB2 LEU 79 -3.497 -18.671 16.602 648 2HB LEU 79 HB3 LEU 79 -1.827 -19.164 16.931 649 HG LEU 79 HG LEU 79 -2.294 -21.443 16.228 650 1HD1 LEU 79 1HD1 LEU 79 -4.660 -21.730 16.816 651 2HD1 LEU 79 2HD1 LEU 79 -5.130 -20.428 15.697 652 3HD1 LEU 79 3HD1 LEU 79 -4.466 -21.953 15.076 653 1HD2 LEU 79 1HD2 LEU 79 -1.572 -19.722 14.610 654 2HD2 LEU 79 2HD2 LEU 79 -2.677 -20.866 13.821 655 3HD2 LEU 79 3HD2 LEU 79 -3.256 -19.257 14.318 656 H GLU 80 H GLU 80 -0.950 -19.218 19.451 657 HA GLU 80 HA GLU 80 -0.300 -22.044 20.237 658 1HB GLU 80 HB2 GLU 80 1.445 -19.772 19.268 659 2HB GLU 80 HB3 GLU 80 2.082 -21.192 20.130 660 1HG GLU 80 HG2 GLU 80 1.131 -22.681 18.407 661 2HG GLU 80 HG3 GLU 80 0.431 -21.293 17.560 662 H GLU 81 H GLU 81 -1.658 -21.659 21.950 663 HA GLU 81 HA GLU 81 -2.370 -19.923 23.601 664 1HB GLU 81 HB2 GLU 81 -1.126 -22.408 24.799 665 2HB GLU 81 HB3 GLU 81 -2.445 -21.432 25.449 666 1HG GLU 81 HG2 GLU 81 -3.655 -23.129 24.498 667 2HG GLU 81 HG3 GLU 81 -3.619 -22.023 23.129 668 H LYS 82 H LYS 82 -1.443 -18.119 24.165 669 HA LYS 82 HA LYS 82 0.808 -17.080 24.765 670 1HB LYS 82 HB2 LYS 82 -0.355 -15.538 26.315 671 2HB LYS 82 HB3 LYS 82 -1.268 -15.943 24.860 672 1HG LYS 82 HG2 LYS 82 -2.522 -17.698 26.303 673 2HG LYS 82 HG3 LYS 82 -1.706 -16.964 27.689 674 1HD LYS 82 HD2 LYS 82 -3.863 -15.981 27.553 675 2HD LYS 82 HD3 LYS 82 -2.726 -14.739 27.004 676 1HE LYS 82 HE2 LYS 82 -3.328 -15.242 24.633 677 2HE LYS 82 HE3 LYS 82 -4.361 -16.574 25.163 678 1HZ LYS 82 HZ1 LYS 82 -5.751 -14.992 26.250 679 2HZ LYS 82 HZ2 LYS 82 -4.752 -13.745 25.834 680 3HZ LYS 82 HZ3 LYS 82 -5.552 -14.583 24.662 681 H ARG 83 H ARG 83 -0.055 -19.654 26.884 682 HA ARG 83 HA ARG 83 1.967 -18.788 28.938 683 1HB ARG 83 HB2 ARG 83 -0.027 -21.057 29.128 684 2HB ARG 83 HB3 ARG 83 1.006 -20.419 30.405 685 1HG ARG 83 HG2 ARG 83 -1.372 -18.985 29.124 686 2HG ARG 83 HG3 ARG 83 -1.351 -19.812 30.674 687 1HD ARG 83 HD2 ARG 83 -1.236 -17.494 31.121 688 2HD ARG 83 HD3 ARG 83 0.356 -18.173 31.515 689 HE ARG 83 HE ARG 83 0.666 -17.383 28.925 690 1HH1 ARG 83 1HH2 ARG 83 -0.466 -15.561 31.735 691 2HH1 ARG 83 2HH2 ARG 83 0.090 -14.037 31.100 692 1HH2 ARG 83 1HH1 ARG 83 1.398 -15.554 28.140 693 2HH2 ARG 83 2HH1 ARG 83 1.174 -14.010 28.955 694 H ARG 84 H ARG 84 1.072 -21.322 26.616 695 HA ARG 84 HA ARG 84 3.349 -23.042 27.327 696 1HB ARG 84 HB2 ARG 84 1.247 -23.227 25.126 697 2HB ARG 84 HB3 ARG 84 2.394 -24.493 25.582 698 1HG ARG 84 HG2 ARG 84 1.377 -24.635 27.815 699 2HG ARG 84 HG3 ARG 84 0.236 -23.338 27.425 700 1HD ARG 84 HD2 ARG 84 -0.688 -24.647 25.584 701 2HD ARG 84 HD3 ARG 84 0.389 -26.004 25.962 702 HE ARG 84 HE ARG 84 -0.782 -25.675 28.342 703 1HH1 ARG 84 2HH2 ARG 84 -2.313 -25.770 25.112 704 2HH1 ARG 84 1HH2 ARG 84 -3.764 -26.510 25.713 705 1HH2 ARG 84 1HH1 ARG 84 -2.702 -26.600 29.084 706 2HH2 ARG 84 2HH1 ARG 84 -4.006 -26.964 27.988 707 H SER 85 H SER 85 2.270 -20.829 24.803 708 HA SER 85 HA SER 85 3.098 -20.145 22.856 709 1HB SER 85 HB2 SER 85 5.331 -19.204 22.832 710 2HB SER 85 HB3 SER 85 4.567 -18.900 24.403 711 HG SER 85 HG SER 85 5.755 -20.946 25.028 712 H ARG 86 H ARG 86 6.237 -21.470 22.918 713 HA ARG 86 HA ARG 86 5.506 -23.213 20.644 714 1HB ARG 86 HB2 ARG 86 8.213 -22.576 21.826 715 2HB ARG 86 HB3 ARG 86 7.911 -23.435 20.314 716 1HG ARG 86 HG2 ARG 86 7.179 -20.523 20.875 717 2HG ARG 86 HG3 ARG 86 8.565 -21.106 19.948 718 1HD ARG 86 HD2 ARG 86 6.942 -22.205 18.338 719 2HD ARG 86 HD3 ARG 86 5.629 -21.365 19.198 720 HE ARG 86 HE ARG 86 7.591 -19.452 18.548 721 1HH1 ARG 86 2HH1 ARG 86 5.155 -21.435 16.895 722 2HH1 ARG 86 1HH1 ARG 86 5.140 -20.451 15.450 723 1HH2 ARG 86 2HH2 ARG 86 7.432 -18.074 16.765 724 2HH2 ARG 86 1HH2 ARG 86 6.266 -18.370 15.504 725 H LEU 87 H LEU 87 5.613 -23.711 24.020 726 HA LEU 87 HA LEU 87 6.954 -26.247 24.072 727 1HB LEU 87 HB2 LEU 87 6.561 -24.901 26.093 728 2HB LEU 87 HB3 LEU 87 4.813 -25.081 25.888 729 HG LEU 87 HG LEU 87 4.982 -27.519 26.260 730 1HD1 LEU 87 1HD1 LEU 87 7.124 -28.443 27.184 731 2HD1 LEU 87 2HD1 LEU 87 7.246 -28.018 25.475 732 3HD1 LEU 87 3HD1 LEU 87 7.948 -26.944 26.708 733 1HD2 LEU 87 1HD2 LEU 87 6.318 -25.844 28.422 734 2HD2 LEU 87 2HD2 LEU 87 4.569 -25.977 28.139 735 3HD2 LEU 87 3HD2 LEU 87 5.491 -27.399 28.655 736 1H LYS 88 H1 LYS 88 9.484 -15.857 27.257 737 2H LYS 88 H2 LYS 88 9.232 -15.455 28.838 738 3H LYS 88 H3 LYS 88 8.741 -16.918 28.265 739 HA LYS 88 HA LYS 88 7.149 -15.939 26.838 740 1HB LYS 88 HB2 LYS 88 6.972 -15.062 29.742 741 2HB LYS 88 HB3 LYS 88 5.643 -14.905 28.574 742 1HG LYS 88 HG2 LYS 88 5.586 -17.314 28.195 743 2HG LYS 88 HG3 LYS 88 7.040 -17.556 29.168 744 1HD LYS 88 HD2 LYS 88 5.127 -18.228 30.436 745 2HD LYS 88 HD3 LYS 88 5.868 -16.810 31.196 746 1HE LYS 88 HE2 LYS 88 4.099 -15.359 30.257 747 2HE LYS 88 HE3 LYS 88 3.417 -16.735 29.366 748 1HZ LYS 88 HZ1 LYS 88 3.613 -16.523 32.289 749 2HZ LYS 88 HZ2 LYS 88 2.250 -16.288 31.394 750 3HZ LYS 88 HZ3 LYS 88 2.948 -17.777 31.448 751 H GLU 89 H GLU 89 8.328 -13.256 28.997 752 HA GLU 89 HA GLU 89 7.611 -11.196 27.211 753 1HB GLU 89 HB2 GLU 89 8.323 -10.927 29.540 754 2HB GLU 89 HB3 GLU 89 10.000 -11.297 29.115 755 1HG GLU 89 HG2 GLU 89 9.645 -8.861 29.321 756 2HG GLU 89 HG3 GLU 89 10.116 -9.296 27.676 757 H LYS 90 H LYS 90 10.455 -13.255 27.354 758 HA LYS 90 HA LYS 90 12.071 -12.244 25.299 759 1HB LYS 90 HB2 LYS 90 11.442 -15.082 26.217 760 2HB LYS 90 HB3 LYS 90 12.545 -14.743 24.884 761 1HG LYS 90 HG2 LYS 90 13.831 -15.066 26.858 762 2HG LYS 90 HG3 LYS 90 13.989 -13.392 26.315 763 1HD LYS 90 HD2 LYS 90 12.525 -12.613 28.120 764 2HD LYS 90 HD3 LYS 90 12.101 -14.290 28.547 765 1HE LYS 90 HE2 LYS 90 13.722 -13.377 30.133 766 2HE LYS 90 HE3 LYS 90 14.432 -14.723 29.230 767 1HZ LYS 90 HZ1 LYS 90 15.546 -13.133 27.847 768 2HZ LYS 90 HZ2 LYS 90 14.851 -11.871 28.650 769 3HZ LYS 90 HZ3 LYS 90 15.914 -12.860 29.428 770 H ARG 91 H ARG 91 9.187 -14.303 25.083 771 HA ARG 91 HA ARG 91 9.226 -14.887 22.280 772 1HB ARG 91 HB2 ARG 91 7.817 -16.110 23.987 773 2HB ARG 91 HB3 ARG 91 6.780 -14.682 24.067 774 1HG ARG 91 HG2 ARG 91 6.603 -14.984 21.439 775 2HG ARG 91 HG3 ARG 91 7.062 -16.644 21.851 776 1HD ARG 91 HD2 ARG 91 5.190 -16.523 23.627 777 2HD ARG 91 HD3 ARG 91 4.653 -15.022 22.816 778 HE ARG 91 HE ARG 91 4.839 -16.805 20.751 779 1HH1 ARG 91 1HH2 ARG 91 3.057 -16.918 23.850 780 2HH1 ARG 91 2HH2 ARG 91 1.892 -18.070 23.207 781 1HH2 ARG 91 2HH1 ARG 91 3.222 -18.315 20.022 782 2HH2 ARG 91 1HH1 ARG 91 1.947 -18.765 21.137 783 H ILE 92 H ILE 92 7.424 -12.522 24.277 784 HA ILE 92 HA ILE 92 6.120 -11.136 22.208 785 HB ILE 92 HB ILE 92 6.989 -10.414 25.019 786 1HG1 ILE 92 2HG1 ILE 92 4.502 -10.037 25.211 787 2HG1 ILE 92 3HG1 ILE 92 4.343 -10.606 23.536 788 1HG2 ILE 92 1HG2 ILE 92 7.363 -8.301 23.989 789 2HG2 ILE 92 2HG2 ILE 92 5.897 -8.441 23.000 790 3HG2 ILE 92 3HG2 ILE 92 5.788 -8.216 24.761 791 1HD1 ILE 92 1HD1 ILE 92 5.458 -12.238 25.834 792 2HD1 ILE 92 2HD1 ILE 92 3.795 -12.290 25.242 793 3HD1 ILE 92 3HD1 ILE 92 5.107 -12.822 24.176 794 H LYS 93 H LYS 93 9.327 -10.376 23.656 795 HA LYS 93 HA LYS 93 9.766 -8.201 21.842 796 1HB LYS 93 HB2 LYS 93 11.614 -9.798 23.625 797 2HB LYS 93 HB3 LYS 93 12.183 -8.442 22.638 798 1HG LYS 93 HG2 LYS 93 9.849 -8.240 24.592 799 2HG LYS 93 HG3 LYS 93 11.522 -7.865 25.016 800 1HD LYS 93 HD2 LYS 93 11.174 -5.764 24.330 801 2HD LYS 93 HD3 LYS 93 11.109 -6.356 22.670 802 1HE LYS 93 HE2 LYS 93 8.610 -6.641 22.911 803 2HE LYS 93 HE3 LYS 93 8.736 -6.052 24.578 804 1HZ LYS 93 HZ1 LYS 93 8.089 -4.330 23.123 805 2HZ LYS 93 HZ2 LYS 93 9.609 -3.993 23.664 806 3HZ LYS 93 HZ3 LYS 93 9.374 -4.561 22.129 807 H GLU 94 H GLU 94 11.216 -11.535 21.716 808 HA GLU 94 HA GLU 94 12.586 -11.003 19.299 809 1HB GLU 94 HB2 GLU 94 12.803 -13.399 19.008 810 2HB GLU 94 HB3 GLU 94 13.091 -12.924 20.685 811 1HG GLU 94 HG2 GLU 94 10.683 -13.629 21.155 812 2HG GLU 94 HG3 GLU 94 10.615 -14.367 19.601 813 H LEU 95 H LEU 95 9.258 -12.159 19.818 814 HA LEU 95 HA LEU 95 8.616 -12.628 17.108 815 1HB LEU 95 HB2 LEU 95 7.393 -13.432 19.117 816 2HB LEU 95 HB3 LEU 95 6.837 -11.774 19.434 817 HG LEU 95 HG LEU 95 5.557 -11.829 17.303 818 1HD1 LEU 95 1HD1 LEU 95 6.696 -14.679 17.179 819 2HD1 LEU 95 2HD1 LEU 95 5.283 -14.171 16.249 820 3HD1 LEU 95 3HD1 LEU 95 6.846 -13.410 15.944 821 1HD2 LEU 95 1HD2 LEU 95 4.580 -12.496 19.479 822 2HD2 LEU 95 2HD2 LEU 95 3.899 -13.407 18.115 823 3HD2 LEU 95 3HD2 LEU 95 5.084 -14.171 19.203 824 H GLU 96 H GLU 96 8.106 -9.685 19.176 825 HA GLU 96 HA GLU 96 6.872 -8.119 17.131 826 1HB GLU 96 HB2 GLU 96 6.718 -7.583 19.471 827 2HB GLU 96 HB3 GLU 96 8.458 -7.383 19.614 828 1HG GLU 96 HG2 GLU 96 8.324 -5.421 18.035 829 2HG GLU 96 HG3 GLU 96 6.562 -5.619 18.004 830 H LEU 97 H LEU 97 10.265 -8.258 18.271 831 HA LEU 97 HA LEU 97 11.334 -6.395 16.447 832 1HB LEU 97 HB2 LEU 97 12.478 -8.564 18.202 833 2HB LEU 97 HB3 LEU 97 13.518 -7.841 17.001 834 HG LEU 97 HG LEU 97 13.670 -6.830 19.275 835 1HD1 LEU 97 1HD1 LEU 97 12.922 -4.900 17.040 836 2HD1 LEU 97 2HD1 LEU 97 13.902 -4.543 18.472 837 3HD1 LEU 97 3HD1 LEU 97 14.499 -5.687 17.260 838 1HD2 LEU 97 1HD2 LEU 97 10.986 -5.528 18.634 839 2HD2 LEU 97 2HD2 LEU 97 11.277 -6.736 19.903 840 3HD2 LEU 97 3HD2 LEU 97 12.052 -5.155 19.996 841 H LEU 98 H LEU 98 10.961 -9.947 16.110 842 HA LEU 98 HA LEU 98 12.440 -10.410 13.836 843 1HB LEU 98 HB2 LEU 98 11.292 -12.183 15.010 844 2HB LEU 98 HB3 LEU 98 9.713 -11.489 14.624 845 HG LEU 98 HG LEU 98 10.048 -12.007 12.228 846 1HD1 LEU 98 1HD1 LEU 98 11.926 -13.526 11.583 847 2HD1 LEU 98 2HD1 LEU 98 12.510 -11.927 12.061 848 3HD1 LEU 98 3HD1 LEU 98 12.649 -13.296 13.187 849 1HD2 LEU 98 1HD2 LEU 98 10.500 -14.384 14.076 850 2HD2 LEU 98 2HD2 LEU 98 8.939 -13.602 13.762 851 3HD2 LEU 98 3HD2 LEU 98 9.794 -14.430 12.446 852 H LEU 99 H LEU 99 9.057 -9.132 13.922 853 HA LEU 99 HA LEU 99 8.998 -8.880 11.047 854 1HB LEU 99 HB2 LEU 99 7.038 -9.184 12.586 855 2HB LEU 99 HB3 LEU 99 7.150 -7.496 13.041 856 HG LEU 99 HG LEU 99 5.436 -7.867 11.386 857 1HD1 LEU 99 1HD1 LEU 99 7.628 -6.439 9.874 858 2HD1 LEU 99 2HD1 LEU 99 5.883 -6.179 9.809 859 3HD1 LEU 99 3HD1 LEU 99 6.776 -5.728 11.275 860 1HD2 LEU 99 1HD2 LEU 99 6.544 -9.893 10.291 861 2HD2 LEU 99 2HD2 LEU 99 5.765 -8.740 9.189 862 3HD2 LEU 99 3HD2 LEU 99 7.527 -8.755 9.357 863 H MET 100 H MET 100 9.364 -6.483 13.708 864 HA MET 100 HA MET 100 9.649 -4.164 12.184 865 1HB MET 100 HB2 MET 100 11.132 -4.930 14.725 866 2HB MET 100 HB3 MET 100 11.062 -3.296 14.060 867 1HG MET 100 HG2 MET 100 8.614 -4.887 14.924 868 2HG MET 100 HG3 MET 100 9.443 -3.671 15.895 869 1HE MET 100 HE1 MET 100 6.341 -3.698 15.330 870 2HE MET 100 HE2 MET 100 7.162 -2.470 16.325 871 3HE MET 100 HE3 MET 100 6.050 -1.969 15.027 872 H SER 101 H SER 101 12.204 -6.535 12.911 873 HA SER 101 HA SER 101 14.400 -5.115 11.982 874 1HB SER 101 HB2 SER 101 15.562 -7.205 11.868 875 2HB SER 101 HB3 SER 101 14.459 -7.274 13.251 876 HG SER 101 HG SER 101 13.011 -8.482 11.866 877 H THR 102 H THR 102 11.874 -6.559 10.008 878 HA THR 102 HA THR 102 13.271 -7.314 7.780 879 HB THR 102 HB THR 102 10.574 -5.930 7.591 880 HG1 THR 102 HG1 THR 102 10.310 -7.444 9.129 881 1HG2 THR 102 1HG2 THR 102 11.649 -6.615 5.417 882 2HG2 THR 102 2HG2 THR 102 11.874 -8.245 6.077 883 3HG2 THR 102 3HG2 THR 102 10.243 -7.625 5.794 884 H GLU 103 H GLU 103 12.476 -3.936 8.685 885 HA GLU 103 HA GLU 103 13.032 -2.823 6.118 886 1HB GLU 103 HB2 GLU 103 13.416 -1.529 8.856 887 2HB GLU 103 HB3 GLU 103 13.371 -0.704 7.286 888 1HG GLU 103 HG2 GLU 103 11.091 -1.826 6.935 889 2HG GLU 103 HG3 GLU 103 11.124 -2.226 8.667 890 H ASN 104 H ASN 104 15.252 -3.318 8.922 891 HA ASN 104 HA ASN 104 17.527 -2.293 7.449 892 1HB ASN 104 HB2 ASN 104 17.269 -2.445 9.988 893 2HB ASN 104 HB3 ASN 104 17.680 -4.157 9.840 894 1HD2 ASN 104 2HD2 ASN 104 19.727 -3.623 7.554 895 2HD2 ASN 104 1HD2 ASN 104 21.037 -2.846 8.416 896 H GLU 105 H GLU 105 16.162 -5.533 8.128 897 HA GLU 105 HA GLU 105 18.251 -7.083 7.047 898 1HB GLU 105 HB2 GLU 105 16.198 -7.806 8.397 899 2HB GLU 105 HB3 GLU 105 15.294 -7.770 6.874 900 1HG GLU 105 HG2 GLU 105 16.907 -9.447 5.929 901 2HG GLU 105 HG3 GLU 105 17.758 -9.468 7.481 902 H LEU 106 H LEU 106 15.354 -5.731 5.479 903 HA LEU 106 HA LEU 106 15.796 -6.607 2.816 904 1HB LEU 106 HB2 LEU 106 13.652 -5.690 3.699 905 2HB LEU 106 HB3 LEU 106 14.417 -4.117 3.896 906 HG LEU 106 HG LEU 106 14.931 -4.437 1.251 907 1HD1 LEU 106 1HD1 LEU 106 12.962 -5.529 0.194 908 2HD1 LEU 106 2HD1 LEU 106 13.958 -6.688 1.101 909 3HD1 LEU 106 3HD1 LEU 106 12.435 -6.099 1.791 910 1HD2 LEU 106 1HD2 LEU 106 12.834 -3.177 0.839 911 2HD2 LEU 106 2HD2 LEU 106 12.325 -3.546 2.504 912 3HD2 LEU 106 3HD2 LEU 106 13.760 -2.554 2.217 913 H LYS 107 H LYS 107 16.472 -3.395 4.386 914 HA LYS 107 HA LYS 107 17.723 -2.235 2.164 915 1HB LYS 107 HB2 LYS 107 18.089 -1.783 5.141 916 2HB LYS 107 HB3 LYS 107 18.894 -0.786 3.917 917 1HG LYS 107 HG2 LYS 107 16.799 -0.085 2.949 918 2HG LYS 107 HG3 LYS 107 15.874 -1.203 3.958 919 1HD LYS 107 HD2 LYS 107 16.617 0.007 5.997 920 2HD LYS 107 HD3 LYS 107 17.530 1.146 4.983 921 1HE LYS 107 HE2 LYS 107 15.415 1.830 3.855 922 2HE LYS 107 HE3 LYS 107 14.506 0.687 4.864 923 1HZ LYS 107 HZ1 LYS 107 15.194 1.925 6.782 924 2HZ LYS 107 HZ2 LYS 107 16.052 2.980 5.850 925 3HZ LYS 107 HZ3 LYS 107 14.412 2.906 5.713 926 H GLY 108 H GLY 108 19.173 -4.381 4.635 927 1HA GLY 108 HA2 GLY 108 21.845 -4.294 3.547 928 2HA GLY 108 HA3 GLY 108 21.142 -5.578 4.541 929 H GLN 109 H GLN 109 19.534 -7.038 3.371 930 HA GLN 109 HA GLN 109 21.051 -8.457 1.473 931 1HB GLN 109 HB2 GLN 109 18.227 -8.646 2.517 932 2HB GLN 109 HB3 GLN 109 18.666 -9.597 1.105 933 1HG GLN 109 HG2 GLN 109 18.943 -10.829 3.262 934 2HG GLN 109 HG3 GLN 109 20.354 -10.797 2.205 935 1HE2 GLN 109 2HE2 GLN 109 19.085 -8.531 4.785 936 2HE2 GLN 109 1HE2 GLN 109 20.603 -8.555 5.670 937 H GLN 110 H GLN 110 18.292 -6.280 0.866 938 HA GLN 110 HA GLN 110 18.110 -6.928 -1.922 939 1HB GLN 110 HB2 GLN 110 16.297 -6.046 -0.413 940 2HB GLN 110 HB3 GLN 110 17.053 -4.451 -0.497 941 1HG GLN 110 HG2 GLN 110 16.550 -5.685 -3.167 942 2HG GLN 110 HG3 GLN 110 15.102 -5.500 -2.183 943 1HE2 GLN 110 2HE2 GLN 110 17.922 -3.629 -3.396 944 2HE2 GLN 110 1HE2 GLN 110 17.043 -2.102 -3.472 945 H ALA 111 H ALA 111 20.309 -4.876 -0.144 946 HA ALA 111 HA ALA 111 21.020 -3.308 -2.584 947 1HB ALA 111 HB1 ALA 111 20.741 -2.080 -0.465 948 2HB ALA 111 HB2 ALA 111 22.019 -3.075 0.274 949 3HB ALA 111 HB3 ALA 111 22.403 -2.000 -1.084 950 H LEU 112 H LEU 112 22.307 -5.654 -0.226 951 HA LEU 112 HA LEU 112 24.964 -5.699 -1.051 952 1HB LEU 112 HB2 LEU 112 24.095 -6.695 1.023 953 2HB LEU 112 HB3 LEU 112 23.222 -7.918 0.091 954 HG LEU 112 HG LEU 112 25.367 -8.883 -0.689 955 1HD1 LEU 112 1HD1 LEU 112 27.492 -8.156 0.409 956 2HD1 LEU 112 2HD1 LEU 112 26.840 -6.910 -0.657 957 3HD1 LEU 112 3HD1 LEU 112 26.641 -6.761 1.104 958 1HD2 LEU 112 1HD2 LEU 112 25.202 -8.519 2.332 959 2HD2 LEU 112 2HD2 LEU 112 24.288 -9.705 1.376 960 3HD2 LEU 112 3HD2 LEU 112 26.054 -9.822 1.478 Start of MODEL 13 1 1H GLY 1 H1 GLY 1 4.940 -4.487 -7.361 2 2H GLY 1 H2 GLY 1 5.098 -4.944 -8.937 3 3H GLY 1 H3 GLY 1 4.042 -5.737 -7.951 4 1HA GLY 1 HA2 GLY 1 5.982 -7.064 -8.320 5 2HA GLY 1 HA3 GLY 1 6.969 -5.733 -7.694 6 H VAL 2 H VAL 2 6.252 -4.934 -5.440 7 HA VAL 2 HA VAL 2 6.371 -7.214 -3.663 8 HB VAL 2 HB VAL 2 6.581 -5.489 -1.887 9 1HG1 VAL 2 1HG1 VAL 2 8.532 -6.481 -2.989 10 2HG1 VAL 2 2HG1 VAL 2 8.470 -5.249 -4.266 11 3HG1 VAL 2 3HG1 VAL 2 8.829 -4.779 -2.595 12 1HG2 VAL 2 1HG2 VAL 2 6.951 -3.167 -2.444 13 2HG2 VAL 2 2HG2 VAL 2 6.686 -3.453 -4.167 14 3HG2 VAL 2 3HG2 VAL 2 5.338 -3.592 -3.022 15 H ARG 3 H ARG 3 4.246 -7.920 -4.582 16 HA ARG 3 HA ARG 3 1.788 -7.053 -4.539 17 1HB ARG 3 HB2 ARG 3 2.722 -9.663 -3.307 18 2HB ARG 3 HB3 ARG 3 1.025 -9.329 -3.595 19 1HG ARG 3 HG2 ARG 3 3.042 -9.096 -5.867 20 2HG ARG 3 HG3 ARG 3 2.403 -10.665 -5.375 21 1HD ARG 3 HD2 ARG 3 0.663 -8.302 -6.187 22 2HD ARG 3 HD3 ARG 3 1.122 -9.652 -7.246 23 HE ARG 3 HE ARG 3 0.031 -10.829 -4.964 24 1HH1 ARG 3 2HH1 ARG 3 -1.083 -8.695 -7.543 25 2HH1 ARG 3 1HH1 ARG 3 -2.753 -9.177 -7.412 26 1HH2 ARG 3 1HH2 ARG 3 -2.142 -11.453 -4.748 27 2HH2 ARG 3 2HH2 ARG 3 -3.361 -10.785 -5.793 28 H LYS 4 H LYS 4 3.002 -8.369 -1.479 29 HA LYS 4 HA LYS 4 0.790 -6.984 -0.024 30 1HB LYS 4 HB2 LYS 4 1.132 -9.615 -0.270 31 2HB LYS 4 HB3 LYS 4 2.333 -9.383 0.988 32 1HG LYS 4 HG2 LYS 4 0.162 -10.101 1.818 33 2HG LYS 4 HG3 LYS 4 0.531 -8.488 2.486 34 1HD LYS 4 HD2 LYS 4 -1.225 -7.500 1.326 35 2HD LYS 4 HD3 LYS 4 -0.983 -8.561 -0.070 36 1HE LYS 4 HE2 LYS 4 -3.144 -9.033 0.939 37 2HE LYS 4 HE3 LYS 4 -2.045 -10.415 1.035 38 1HZ LYS 4 HZ1 LYS 4 -1.611 -9.860 3.298 39 2HZ LYS 4 HZ2 LYS 4 -2.628 -8.553 3.233 40 3HZ LYS 4 HZ3 LYS 4 -3.222 -10.086 3.051 41 H GLY 5 H GLY 5 3.564 -5.893 -0.720 42 1HA GLY 5 HA2 GLY 5 5.103 -4.559 0.314 43 2HA GLY 5 HA3 GLY 5 4.212 -4.708 1.834 44 H TRP 6 H TRP 6 4.402 -6.905 2.876 45 HA TRP 6 HA TRP 6 7.068 -7.430 3.634 46 1HB TRP 6 HB2 TRP 6 6.220 -9.311 4.850 47 2HB TRP 6 HB3 TRP 6 5.132 -7.942 5.035 48 HD1 TRP 6 HD1 TRP 6 2.649 -8.291 4.323 49 HE1 TRP 6 HE1 TRP 6 1.256 -10.299 3.541 50 HE3 TRP 6 HE3 TRP 6 6.448 -11.576 3.245 51 HZ2 TRP 6 HZ2 TRP 6 1.716 -12.934 2.526 52 HZ3 TRP 6 HZ3 TRP 6 5.923 -13.828 2.404 53 HH2 TRP 6 HH2 TRP 6 3.569 -14.531 2.058 54 H HIS 7 H HIS 7 5.215 -8.688 1.002 55 HA HIS 7 HA HIS 7 6.371 -10.916 -0.005 56 1HB HIS 7 HB2 HIS 7 4.704 -9.554 -1.141 57 2HB HIS 7 HB3 HIS 7 5.847 -8.219 -1.351 58 HD2 HIS 7 HD2 HIS 7 8.191 -9.218 -3.017 59 HE1 HIS 7 HE1 HIS 7 5.400 -11.189 -5.543 60 HE2 HIS 7 HE2 HIS 7 7.783 -10.318 -5.342 61 H GLU 8 H GLU 8 7.891 -7.683 0.076 62 HA GLU 8 HA GLU 8 10.156 -8.107 -1.466 63 1HB GLU 8 HB2 GLU 8 11.042 -6.171 -0.351 64 2HB GLU 8 HB3 GLU 8 9.293 -5.971 -0.514 65 1HG GLU 8 HG2 GLU 8 9.152 -6.912 1.922 66 2HG GLU 8 HG3 GLU 8 10.901 -6.633 1.967 67 H HIS 9 H HIS 9 9.576 -9.246 1.830 68 HA HIS 9 HA HIS 9 12.338 -9.795 2.478 69 1HB HIS 9 HB2 HIS 9 9.793 -10.917 3.709 70 2HB HIS 9 HB3 HIS 9 11.391 -10.841 4.448 71 HD2 HIS 9 HD2 HIS 9 12.001 -7.705 3.863 72 HE1 HIS 9 HE1 HIS 9 8.443 -6.992 6.086 73 HE2 HIS 9 HE2 HIS 9 10.554 -5.928 5.137 74 H VAL 10 H VAL 10 9.973 -11.481 0.531 75 HA VAL 10 HA VAL 10 11.234 -14.122 1.133 76 HB VAL 10 HB VAL 10 8.394 -13.348 0.399 77 1HG1 VAL 10 1HG1 VAL 10 9.510 -16.138 0.866 78 2HG1 VAL 10 2HG1 VAL 10 7.814 -15.705 0.590 79 3HG1 VAL 10 3HG1 VAL 10 9.002 -15.479 -0.697 80 1HG2 VAL 10 1HG2 VAL 10 8.000 -14.511 2.660 81 2HG2 VAL 10 2HG2 VAL 10 9.743 -14.443 2.908 82 3HG2 VAL 10 3HG2 VAL 10 8.812 -12.940 2.733 83 H THR 11 H THR 11 12.207 -15.242 -0.441 84 HA THR 11 HA THR 11 12.248 -14.171 -3.176 85 HB THR 11 HB THR 11 13.974 -15.964 -3.481 86 HG1 THR 11 HG1 THR 11 14.697 -16.871 -1.403 87 1HG2 THR 11 1HG2 THR 11 14.547 -13.673 -2.820 88 2HG2 THR 11 2HG2 THR 11 14.466 -14.128 -1.100 89 3HG2 THR 11 3HG2 THR 11 15.692 -14.859 -2.164 90 H GLN 12 H GLN 12 11.959 -15.545 -4.974 91 HA GLN 12 HA GLN 12 9.570 -17.108 -5.026 92 1HB GLN 12 HB2 GLN 12 11.943 -16.900 -6.916 93 2HB GLN 12 HB3 GLN 12 10.490 -17.838 -7.251 94 1HG GLN 12 HG2 GLN 12 10.284 -15.693 -8.344 95 2HG GLN 12 HG3 GLN 12 9.085 -15.821 -7.051 96 1HE2 GLN 12 2HE2 GLN 12 8.831 -13.531 -6.780 97 2HE2 GLN 12 1HE2 GLN 12 10.134 -12.549 -6.135 98 H ASP 13 H ASP 13 13.025 -17.993 -4.831 99 HA ASP 13 HA ASP 13 12.798 -20.783 -4.667 100 1HB ASP 13 HB2 ASP 13 14.729 -19.004 -3.093 101 2HB ASP 13 HB3 ASP 13 14.963 -20.688 -3.569 102 H LEU 14 H LEU 14 12.639 -18.317 -1.966 103 HA LEU 14 HA LEU 14 12.185 -20.270 0.022 104 1HB LEU 14 HB2 LEU 14 12.911 -18.054 0.577 105 2HB LEU 14 HB3 LEU 14 11.436 -17.336 -0.074 106 HG LEU 14 HG LEU 14 10.107 -18.258 1.701 107 1HD1 LEU 14 1HD1 LEU 14 12.620 -19.596 2.790 108 2HD1 LEU 14 2HD1 LEU 14 11.027 -19.546 3.566 109 3HD1 LEU 14 3HD1 LEU 14 11.240 -20.446 2.064 110 1HD2 LEU 14 1HD2 LEU 14 12.700 -17.131 2.857 111 2HD2 LEU 14 2HD2 LEU 14 11.420 -16.158 2.126 112 3HD2 LEU 14 3HD2 LEU 14 11.090 -17.067 3.608 113 H ARG 15 H ARG 15 9.772 -18.397 -1.935 114 HA ARG 15 HA ARG 15 7.433 -19.538 -0.808 115 1HB ARG 15 HB2 ARG 15 7.917 -18.792 -3.724 116 2HB ARG 15 HB3 ARG 15 6.343 -19.134 -2.994 117 1HG ARG 15 HG2 ARG 15 6.615 -17.235 -1.441 118 2HG ARG 15 HG3 ARG 15 8.210 -16.914 -2.127 119 1HD ARG 15 HD2 ARG 15 7.114 -16.496 -4.374 120 2HD ARG 15 HD3 ARG 15 5.553 -16.704 -3.579 121 HE ARG 15 HE ARG 15 5.699 -14.608 -2.676 122 1HH1 ARG 15 1HH1 ARG 15 8.932 -15.468 -3.846 123 2HH1 ARG 15 2HH1 ARG 15 9.642 -13.985 -3.210 124 1HH2 ARG 15 1HH2 ARG 15 6.725 -12.713 -1.859 125 2HH2 ARG 15 2HH2 ARG 15 8.457 -12.501 -2.062 126 H SER 16 H SER 16 9.413 -20.736 -3.521 127 HA SER 16 HA SER 16 8.008 -23.100 -4.120 128 1HB SER 16 HB2 SER 16 11.001 -22.584 -4.302 129 2HB SER 16 HB3 SER 16 10.119 -23.828 -5.166 130 HG SER 16 HG SER 16 9.813 -21.011 -5.413 131 H HIS 17 H HIS 17 10.786 -22.633 -1.897 132 HA HIS 17 HA HIS 17 10.939 -25.351 -1.039 133 1HB HIS 17 HB2 HIS 17 12.689 -23.504 -0.960 134 2HB HIS 17 HB3 HIS 17 11.910 -22.965 0.533 135 HD2 HIS 17 HD2 HIS 17 11.781 -25.075 2.501 136 HE1 HIS 17 HE1 HIS 17 15.389 -26.837 1.095 137 HE2 HIS 17 HE2 HIS 17 13.796 -26.654 3.073 138 H LEU 18 H LEU 18 9.048 -22.517 0.140 139 HA LEU 18 HA LEU 18 8.151 -23.784 2.572 140 1HB LEU 18 HB2 LEU 18 7.167 -21.455 0.912 141 2HB LEU 18 HB3 LEU 18 6.252 -22.024 2.314 142 HG LEU 18 HG LEU 18 9.178 -21.208 2.455 143 1HD1 LEU 18 1HD1 LEU 18 8.344 -19.048 3.350 144 2HD1 LEU 18 2HD1 LEU 18 7.786 -19.298 1.685 145 3HD1 LEU 18 3HD1 LEU 18 6.677 -19.577 3.046 146 1HD2 LEU 18 1HD2 LEU 18 7.025 -21.504 4.581 147 2HD2 LEU 18 2HD2 LEU 18 8.423 -22.583 4.384 148 3HD2 LEU 18 3HD2 LEU 18 8.667 -20.901 4.861 149 H VAL 19 H VAL 19 6.620 -23.448 -0.679 150 HA VAL 19 HA VAL 19 4.356 -25.125 -0.203 151 HB VAL 19 HB VAL 19 6.045 -24.490 -2.636 152 1HG1 VAL 19 1HG1 VAL 19 4.470 -25.573 -4.092 153 2HG1 VAL 19 2HG1 VAL 19 5.166 -26.792 -3.035 154 3HG1 VAL 19 3HG1 VAL 19 3.526 -26.177 -2.718 155 1HG2 VAL 19 1HG2 VAL 19 4.580 -22.727 -1.776 156 2HG2 VAL 19 2HG2 VAL 19 3.979 -23.303 -3.329 157 3HG2 VAL 19 3HG2 VAL 19 3.170 -23.815 -1.829 158 H HIS 20 H HIS 20 7.647 -26.019 -1.329 159 HA HIS 20 HA HIS 20 7.376 -28.814 -1.221 160 1HB HIS 20 HB2 HIS 20 9.430 -28.172 -2.055 161 2HB HIS 20 HB3 HIS 20 9.581 -26.858 -0.913 162 HD2 HIS 20 HD2 HIS 20 10.335 -30.531 -1.256 163 HE1 HIS 20 HE1 HIS 20 12.047 -29.347 2.454 164 HE2 HIS 20 HE2 HIS 20 11.751 -31.304 0.858 165 H LYS 21 H LYS 21 8.294 -26.625 1.551 166 HA LYS 21 HA LYS 21 8.563 -28.610 3.403 167 1HB LYS 21 HB2 LYS 21 8.918 -25.927 3.618 168 2HB LYS 21 HB3 LYS 21 7.281 -25.995 4.184 169 1HG LYS 21 HG2 LYS 21 8.920 -26.037 6.001 170 2HG LYS 21 HG3 LYS 21 7.887 -27.471 5.999 171 1HD LYS 21 HD2 LYS 21 10.245 -27.963 6.568 172 2HD LYS 21 HD3 LYS 21 9.725 -28.856 5.160 173 1HE LYS 21 HE2 LYS 21 11.951 -28.022 4.776 174 2HE LYS 21 HE3 LYS 21 10.882 -27.091 3.720 175 1HZ LYS 21 HZ1 LYS 21 10.960 -25.318 5.361 176 2HZ LYS 21 HZ2 LYS 21 11.887 -26.241 6.358 177 3HZ LYS 21 HZ3 LYS 21 12.492 -25.751 4.912 178 H LEU 22 H LEU 22 5.568 -26.947 2.347 179 HA LEU 22 HA LEU 22 3.764 -28.175 4.193 180 1HB LEU 22 HB2 LEU 22 3.148 -27.509 1.292 181 2HB LEU 22 HB3 LEU 22 2.004 -27.784 2.599 182 HG LEU 22 HG LEU 22 3.860 -25.432 2.180 183 1HD1 LEU 22 1HD1 LEU 22 1.752 -24.177 2.155 184 2HD1 LEU 22 2HD1 LEU 22 1.725 -25.468 0.944 185 3HD1 LEU 22 3HD1 LEU 22 0.851 -25.675 2.480 186 1HD2 LEU 22 1HD2 LEU 22 2.157 -26.037 4.629 187 2HD2 LEU 22 2HD2 LEU 22 3.940 -25.972 4.552 188 3HD2 LEU 22 3HD2 LEU 22 3.001 -24.505 4.303 189 H VAL 23 H VAL 23 4.677 -29.256 0.884 190 HA VAL 23 HA VAL 23 3.227 -31.697 0.991 191 HB VAL 23 HB VAL 23 5.830 -31.167 -0.502 192 1HG1 VAL 23 1HG1 VAL 23 5.055 -32.965 -2.017 193 2HG1 VAL 23 2HG1 VAL 23 5.293 -33.596 -0.386 194 3HG1 VAL 23 3HG1 VAL 23 3.657 -33.257 -0.968 195 1HG2 VAL 23 1HG2 VAL 23 2.941 -30.767 -1.367 196 2HG2 VAL 23 2HG2 VAL 23 4.180 -29.506 -1.152 197 3HG2 VAL 23 3HG2 VAL 23 4.362 -30.695 -2.433 198 H GLN 24 H GLN 24 6.692 -31.200 1.473 199 HA GLN 24 HA GLN 24 7.707 -33.552 2.383 200 1HB GLN 24 HB2 GLN 24 8.839 -31.370 1.910 201 2HB GLN 24 HB3 GLN 24 8.159 -30.733 3.410 202 1HG GLN 24 HG2 GLN 24 10.385 -31.115 3.756 203 2HG GLN 24 HG3 GLN 24 9.563 -32.391 4.681 204 1HE2 GLN 24 2HE2 GLN 24 9.589 -34.607 3.763 205 2HE2 GLN 24 1HE2 GLN 24 10.820 -35.038 2.574 206 H ALA 25 H ALA 25 6.091 -31.083 4.506 207 HA ALA 25 HA ALA 25 6.444 -32.643 6.894 208 1HB ALA 25 HB1 ALA 25 4.880 -31.020 7.890 209 2HB ALA 25 HB2 ALA 25 6.139 -30.210 6.939 210 3HB ALA 25 HB3 ALA 25 4.498 -30.377 6.278 211 H ILE 26 H ILE 26 3.575 -32.070 4.774 212 HA ILE 26 HA ILE 26 1.776 -33.687 6.299 213 HB ILE 26 HB ILE 26 1.781 -32.897 3.361 214 1HG1 ILE 26 2HG1 ILE 26 0.178 -31.681 5.647 215 2HG1 ILE 26 3HG1 ILE 26 1.745 -31.039 5.169 216 1HG2 ILE 26 1HG2 ILE 26 0.274 -34.809 3.649 217 2HG2 ILE 26 2HG2 ILE 26 -0.449 -34.060 5.088 218 3HG2 ILE 26 3HG2 ILE 26 -0.698 -33.360 3.478 219 1HD1 ILE 26 1HD1 ILE 26 0.916 -30.731 2.827 220 2HD1 ILE 26 2HD1 ILE 26 -0.718 -31.147 3.393 221 3HD1 ILE 26 3HD1 ILE 26 0.108 -29.726 4.047 222 H PHE 27 H PHE 27 3.979 -34.390 3.655 223 HA PHE 27 HA PHE 27 3.631 -37.315 3.821 224 1HB PHE 27 HB2 PHE 27 1.920 -36.219 2.310 225 2HB PHE 27 HB3 PHE 27 3.241 -35.651 1.307 226 HD1 PHE 27 HD1 PHE 27 4.943 -37.641 0.511 227 HD2 PHE 27 HD2 PHE 27 0.774 -38.076 1.575 228 HE1 PHE 27 HE1 PHE 27 4.765 -39.560 -0.978 229 HE2 PHE 27 HE2 PHE 27 0.581 -39.954 0.005 230 HZ PHE 27 HZ PHE 27 2.592 -40.771 -1.235 231 HA PRO 28 HA PRO 28 7.929 -35.835 3.313 232 1HB PRO 28 HB2 PRO 28 9.326 -38.038 4.065 233 2HB PRO 28 HB3 PRO 28 8.506 -36.954 5.224 234 1HG PRO 28 HG2 PRO 28 7.444 -39.556 4.097 235 2HG PRO 28 HG3 PRO 28 7.481 -39.043 5.810 236 1HD PRO 28 HD2 PRO 28 5.268 -38.770 4.259 237 2HD PRO 28 HD3 PRO 28 5.685 -37.507 5.462 238 H THR 29 H THR 29 8.905 -35.620 1.384 239 HA THR 29 HA THR 29 8.159 -37.153 -0.883 240 HB THR 29 HB THR 29 10.016 -35.711 -1.894 241 HG1 THR 29 HG1 THR 29 11.148 -35.597 0.136 242 1HG2 THR 29 1HG2 THR 29 7.674 -34.942 -1.851 243 2HG2 THR 29 2HG2 THR 29 7.893 -34.292 -0.210 244 3HG2 THR 29 3HG2 THR 29 8.797 -33.595 -1.569 245 HA PRO 30 HA PRO 30 11.347 -40.386 -0.195 246 1HB PRO 30 HB2 PRO 30 10.545 -40.980 -3.044 247 2HB PRO 30 HB3 PRO 30 10.855 -42.123 -1.708 248 1HG PRO 30 HG2 PRO 30 8.300 -41.524 -2.386 249 2HG PRO 30 HG3 PRO 30 8.767 -41.551 -0.658 250 1HD PRO 30 HD2 PRO 30 8.509 -39.134 -2.469 251 2HD PRO 30 HD3 PRO 30 7.870 -39.392 -0.822 252 H ASP 31 H ASP 31 11.049 -38.413 -3.206 253 HA ASP 31 HA ASP 31 13.841 -37.646 -3.152 254 1HB ASP 31 HB2 ASP 31 13.913 -39.944 -4.193 255 2HB ASP 31 HB3 ASP 31 12.755 -39.408 -5.412 256 HA PRO 32 HA PRO 32 11.751 -34.160 -5.170 257 1HB PRO 32 HB2 PRO 32 14.217 -34.223 -6.941 258 2HB PRO 32 HB3 PRO 32 13.347 -32.796 -6.301 259 1HG PRO 32 HG2 PRO 32 15.570 -33.660 -5.029 260 2HG PRO 32 HG3 PRO 32 14.117 -33.266 -4.063 261 1HD PRO 32 HD2 PRO 32 15.125 -35.979 -4.905 262 2HD PRO 32 HD3 PRO 32 14.453 -35.462 -3.332 263 H ALA 33 H ALA 33 13.307 -36.612 -7.342 264 HA ALA 33 HA ALA 33 11.727 -36.126 -9.627 265 1HB ALA 33 HB1 ALA 33 13.759 -37.537 -9.600 266 2HB ALA 33 HB2 ALA 33 12.888 -38.770 -8.657 267 3HB ALA 33 HB3 ALA 33 12.373 -38.388 -10.311 268 H ALA 34 H ALA 34 10.888 -37.778 -6.621 269 HA ALA 34 HA ALA 34 8.718 -39.357 -7.586 270 1HB ALA 34 HB1 ALA 34 8.948 -38.108 -4.824 271 2HB ALA 34 HB2 ALA 34 8.058 -39.561 -5.296 272 3HB ALA 34 HB3 ALA 34 9.835 -39.572 -5.324 273 H LEU 35 H LEU 35 9.038 -35.876 -7.047 274 HA LEU 35 HA LEU 35 6.272 -35.259 -6.711 275 1HB LEU 35 HB2 LEU 35 8.470 -33.614 -7.999 276 2HB LEU 35 HB3 LEU 35 6.909 -33.005 -7.447 277 HG LEU 35 HG LEU 35 9.040 -34.229 -5.620 278 1HD1 LEU 35 1HD1 LEU 35 9.379 -31.933 -4.843 279 2HD1 LEU 35 2HD1 LEU 35 9.703 -32.050 -6.581 280 3HD1 LEU 35 3HD1 LEU 35 8.178 -31.336 -6.010 281 1HD2 LEU 35 1HD2 LEU 35 6.856 -34.602 -4.646 282 2HD2 LEU 35 2HD2 LEU 35 7.656 -33.276 -3.797 283 3HD2 LEU 35 3HD2 LEU 35 6.378 -32.921 -4.973 284 H LYS 36 H LYS 36 7.956 -36.478 -9.524 285 HA LYS 36 HA LYS 36 6.162 -35.452 -11.519 286 1HB LYS 36 HB2 LYS 36 7.917 -37.922 -11.413 287 2HB LYS 36 HB3 LYS 36 7.078 -37.331 -12.851 288 1HG LYS 36 HG2 LYS 36 8.343 -35.278 -12.892 289 2HG LYS 36 HG3 LYS 36 9.042 -35.607 -11.306 290 1HD LYS 36 HD2 LYS 36 10.708 -36.055 -12.970 291 2HD LYS 36 HD3 LYS 36 10.241 -37.572 -12.184 292 1HE LYS 36 HE2 LYS 36 8.837 -38.174 -14.130 293 2HE LYS 36 HE3 LYS 36 9.182 -36.606 -14.888 294 1HZ LYS 36 HZ1 LYS 36 11.156 -38.690 -14.272 295 2HZ LYS 36 HZ2 LYS 36 10.548 -38.340 -15.763 296 3HZ LYS 36 HZ3 LYS 36 11.483 -37.236 -14.977 297 H ASP 37 H ASP 37 5.741 -37.898 -9.033 298 HA ASP 37 HA ASP 37 3.852 -39.576 -10.388 299 1HB ASP 37 HB2 ASP 37 4.895 -40.361 -8.370 300 2HB ASP 37 HB3 ASP 37 4.377 -38.929 -7.473 301 H ARG 38 H ARG 38 1.554 -39.567 -10.303 302 HA ARG 38 HA ARG 38 0.364 -37.019 -10.692 303 1HB ARG 38 HB2 ARG 38 -0.996 -39.689 -10.149 304 2HB ARG 38 HB3 ARG 38 -1.741 -38.269 -10.883 305 1HG ARG 38 HG2 ARG 38 0.513 -39.944 -12.116 306 2HG ARG 38 HG3 ARG 38 -1.196 -39.986 -12.528 307 1HD ARG 38 HD2 ARG 38 -0.214 -38.669 -14.210 308 2HD ARG 38 HD3 ARG 38 -1.053 -37.543 -13.133 309 HE ARG 38 HE ARG 38 1.862 -38.103 -12.746 310 1HH1 ARG 38 1HH2 ARG 38 -0.552 -35.775 -13.921 311 2HH1 ARG 38 2HH2 ARG 38 0.473 -34.395 -13.635 312 1HH2 ARG 38 1HH1 ARG 38 3.235 -36.356 -12.560 313 2HH2 ARG 38 2HH1 ARG 38 2.717 -34.742 -12.985 314 H ARG 39 H ARG 39 0.025 -39.259 -7.905 315 HA ARG 39 HA ARG 39 -1.842 -37.614 -6.487 316 1HB ARG 39 HB2 ARG 39 -1.568 -39.984 -6.005 317 2HB ARG 39 HB3 ARG 39 0.110 -39.740 -5.521 318 1HG ARG 39 HG2 ARG 39 -1.313 -40.066 -3.615 319 2HG ARG 39 HG3 ARG 39 -0.564 -38.475 -3.544 320 1HD ARG 39 HD2 ARG 39 -3.375 -38.854 -4.670 321 2HD ARG 39 HD3 ARG 39 -3.070 -38.765 -2.923 322 HE ARG 39 HE ARG 39 -1.773 -36.571 -4.205 323 1HH1 ARG 39 1HH1 ARG 39 -5.035 -37.692 -3.451 324 2HH1 ARG 39 2HH1 ARG 39 -5.657 -36.100 -3.110 325 1HH2 ARG 39 1HH2 ARG 39 -2.528 -34.518 -3.686 326 2HH2 ARG 39 2HH2 ARG 39 -4.201 -34.243 -3.273 327 H MET 40 H MET 40 1.763 -37.883 -6.429 328 HA MET 40 HA MET 40 2.161 -35.859 -4.476 329 1HB MET 40 HB2 MET 40 3.913 -36.672 -6.842 330 2HB MET 40 HB3 MET 40 4.370 -35.577 -5.542 331 1HG MET 40 HG2 MET 40 3.716 -38.519 -5.258 332 2HG MET 40 HG3 MET 40 5.285 -37.722 -5.067 333 1HE MET 40 HE1 MET 40 5.921 -36.199 -3.003 334 2HE MET 40 HE2 MET 40 4.484 -35.164 -3.230 335 3HE MET 40 HE3 MET 40 4.826 -35.876 -1.638 336 H GLU 41 H GLU 41 2.079 -35.536 -8.090 337 HA GLU 41 HA GLU 41 2.401 -32.784 -8.133 338 1HB GLU 41 HB2 GLU 41 2.455 -34.288 -10.097 339 2HB GLU 41 HB3 GLU 41 0.684 -34.396 -10.061 340 1HG GLU 41 HG2 GLU 41 0.512 -31.956 -10.441 341 2HG GLU 41 HG3 GLU 41 2.273 -31.794 -10.327 342 H ASN 42 H ASN 42 -0.603 -34.617 -7.652 343 HA ASN 42 HA ASN 42 -2.351 -32.317 -7.524 344 1HB ASN 42 HB2 ASN 42 -2.593 -35.151 -6.464 345 2HB ASN 42 HB3 ASN 42 -3.770 -33.898 -6.061 346 1HD2 ASN 42 2HD2 ASN 42 -2.226 -35.460 -8.930 347 2HD2 ASN 42 1HD2 ASN 42 -3.636 -35.210 -9.957 348 H LEU 43 H LEU 43 -0.467 -34.045 -4.981 349 HA LEU 43 HA LEU 43 -1.502 -32.422 -2.850 350 1HB LEU 43 HB2 LEU 43 -0.495 -34.655 -2.535 351 2HB LEU 43 HB3 LEU 43 1.081 -34.017 -3.014 352 HG LEU 43 HG LEU 43 1.129 -32.549 -1.043 353 1HD1 LEU 43 1HD1 LEU 43 -1.243 -32.056 -0.661 354 2HD1 LEU 43 2HD1 LEU 43 -1.585 -33.783 -0.382 355 3HD1 LEU 43 3HD1 LEU 43 -0.589 -32.864 0.763 356 1HD2 LEU 43 1HD2 LEU 43 1.962 -34.905 -0.901 357 2HD2 LEU 43 2HD2 LEU 43 1.359 -34.287 0.652 358 3HD2 LEU 43 3HD2 LEU 43 0.369 -35.409 -0.306 359 H VAL 44 H VAL 44 1.305 -32.134 -4.986 360 HA VAL 44 HA VAL 44 2.529 -29.810 -3.876 361 HB VAL 44 HB VAL 44 2.439 -31.002 -6.655 362 1HG1 VAL 44 1HG1 VAL 44 4.401 -29.558 -7.184 363 2HG1 VAL 44 2HG1 VAL 44 2.914 -28.631 -6.970 364 3HG1 VAL 44 3HG1 VAL 44 4.128 -28.671 -5.668 365 1HG2 VAL 44 1HG2 VAL 44 3.663 -32.281 -4.793 366 2HG2 VAL 44 2HG2 VAL 44 4.628 -31.839 -6.204 367 3HG2 VAL 44 3HG2 VAL 44 4.765 -30.899 -4.707 368 H ALA 45 H ALA 45 0.021 -30.228 -6.456 369 HA ALA 45 HA ALA 45 -0.410 -27.481 -6.932 370 1HB ALA 45 HB1 ALA 45 -2.449 -29.739 -7.098 371 2HB ALA 45 HB2 ALA 45 -2.566 -28.145 -7.863 372 3HB ALA 45 HB3 ALA 45 -1.295 -29.277 -8.367 373 H TYR 46 H TYR 46 -2.056 -29.668 -4.579 374 HA TYR 46 HA TYR 46 -3.713 -27.718 -3.374 375 1HB TYR 46 HB2 TYR 46 -3.939 -30.090 -2.876 376 2HB TYR 46 HB3 TYR 46 -2.352 -30.134 -2.121 377 HD1 TYR 46 HD1 TYR 46 -1.977 -29.290 0.136 378 HD2 TYR 46 HD2 TYR 46 -5.809 -28.805 -1.783 379 HE1 TYR 46 HE1 TYR 46 -2.932 -28.414 2.252 380 HE2 TYR 46 HE2 TYR 46 -6.773 -27.999 0.346 381 HH TYR 46 HH TYR 46 -6.384 -27.535 2.557 382 H ALA 47 H ALA 47 -0.350 -28.669 -2.493 383 HA ALA 47 HA ALA 47 -0.013 -26.862 -0.369 384 1HB ALA 47 HB1 ALA 47 1.543 -28.669 -0.775 385 2HB ALA 47 HB2 ALA 47 2.039 -27.969 -2.326 386 3HB ALA 47 HB3 ALA 47 2.420 -27.126 -0.818 387 H LYS 48 H LYS 48 0.688 -26.349 -3.866 388 HA LYS 48 HA LYS 48 1.592 -23.656 -3.670 389 1HB LYS 48 HB2 LYS 48 0.168 -25.162 -5.899 390 2HB LYS 48 HB3 LYS 48 0.756 -23.501 -6.060 391 1HG LYS 48 HG2 LYS 48 3.041 -24.194 -5.570 392 2HG LYS 48 HG3 LYS 48 2.514 -25.873 -5.318 393 1HD LYS 48 HD2 LYS 48 1.799 -26.055 -7.644 394 2HD LYS 48 HD3 LYS 48 2.170 -24.342 -7.934 395 1HE LYS 48 HE2 LYS 48 4.562 -24.749 -7.475 396 2HE LYS 48 HE3 LYS 48 4.224 -26.450 -7.108 397 1HZ LYS 48 HZ1 LYS 48 3.791 -25.143 -9.701 398 2HZ LYS 48 HZ2 LYS 48 5.030 -26.161 -9.323 399 3HZ LYS 48 HZ3 LYS 48 3.483 -26.726 -9.359 400 H LYS 49 H LYS 49 -1.711 -24.925 -4.290 401 HA LYS 49 HA LYS 49 -3.071 -22.491 -4.454 402 1HB LYS 49 HB2 LYS 49 -3.948 -24.800 -4.911 403 2HB LYS 49 HB3 LYS 49 -4.106 -25.051 -3.179 404 1HG LYS 49 HG2 LYS 49 -5.646 -23.127 -3.033 405 2HG LYS 49 HG3 LYS 49 -5.504 -22.867 -4.783 406 1HD LYS 49 HD2 LYS 49 -6.399 -25.127 -5.217 407 2HD LYS 49 HD3 LYS 49 -6.516 -25.447 -3.481 408 1HE LYS 49 HE2 LYS 49 -8.027 -23.241 -4.971 409 2HE LYS 49 HE3 LYS 49 -8.700 -24.815 -4.519 410 1HZ LYS 49 HZ1 LYS 49 -9.286 -23.157 -2.942 411 2HZ LYS 49 HZ2 LYS 49 -8.301 -24.267 -2.227 412 3HZ LYS 49 HZ3 LYS 49 -7.711 -22.785 -2.644 413 H VAL 50 H VAL 50 -2.646 -24.549 -1.571 414 HA VAL 50 HA VAL 50 -3.874 -22.678 0.171 415 HB VAL 50 HB VAL 50 -3.019 -25.333 0.404 416 1HG1 VAL 50 1HG1 VAL 50 -0.859 -24.617 1.379 417 2HG1 VAL 50 2HG1 VAL 50 -1.740 -23.736 2.660 418 3HG1 VAL 50 3HG1 VAL 50 -1.883 -25.495 2.532 419 1HG2 VAL 50 1HG2 VAL 50 -5.123 -24.391 1.213 420 2HG2 VAL 50 2HG2 VAL 50 -4.273 -25.264 2.501 421 3HG2 VAL 50 3HG2 VAL 50 -4.246 -23.489 2.476 422 H GLU 51 H GLU 51 -0.357 -23.129 -0.620 423 HA GLU 51 HA GLU 51 0.575 -21.195 1.209 424 1HB GLU 51 HB2 GLU 51 1.981 -22.784 0.056 425 2HB GLU 51 HB3 GLU 51 1.637 -22.027 -1.503 426 1HG GLU 51 HG2 GLU 51 2.791 -20.365 0.766 427 2HG GLU 51 HG3 GLU 51 3.852 -21.465 -0.096 428 H GLY 52 H GLY 52 -0.563 -20.823 -2.183 429 1HA GLY 52 HA2 GLY 52 -0.303 -18.029 -2.443 430 2HA GLY 52 HA3 GLY 52 -1.525 -19.038 -3.238 431 H ASP 53 H ASP 53 -3.109 -19.945 -1.238 432 HA ASP 53 HA ASP 53 -4.842 -17.819 -0.645 433 1HB ASP 53 HB2 ASP 53 -5.491 -20.200 -0.605 434 2HB ASP 53 HB3 ASP 53 -4.538 -20.435 0.869 435 H MET 54 H MET 54 -2.423 -19.380 1.530 436 HA MET 54 HA MET 54 -2.871 -17.581 3.708 437 1HB MET 54 HB2 MET 54 -0.372 -19.159 2.978 438 2HB MET 54 HB3 MET 54 -0.631 -18.305 4.491 439 1HG MET 54 HG2 MET 54 -2.122 -20.725 3.451 440 2HG MET 54 HG3 MET 54 -1.170 -20.559 4.922 441 1HE MET 54 HE1 MET 54 -2.801 -21.835 6.129 442 2HE MET 54 HE2 MET 54 -4.553 -21.507 6.307 443 3HE MET 54 HE3 MET 54 -3.886 -22.010 4.724 444 H TYR 55 H TYR 55 -0.622 -17.407 0.932 445 HA TYR 55 HA TYR 55 0.803 -15.129 1.701 446 1HB TYR 55 HB2 TYR 55 1.025 -16.697 -0.373 447 2HB TYR 55 HB3 TYR 55 -0.079 -15.586 -1.171 448 HD1 TYR 55 HD1 TYR 55 0.611 -13.059 -1.279 449 HD2 TYR 55 HD2 TYR 55 3.302 -16.251 -0.177 450 HE1 TYR 55 HE1 TYR 55 2.540 -11.627 -1.802 451 HE2 TYR 55 HE2 TYR 55 5.226 -14.758 -0.557 452 HH TYR 55 HH TYR 55 4.821 -11.693 -2.250 453 H GLU 56 H GLU 56 -2.258 -15.323 -0.182 454 HA GLU 56 HA GLU 56 -2.703 -12.511 -0.343 455 1HB GLU 56 HB2 GLU 56 -4.597 -14.880 -0.453 456 2HB GLU 56 HB3 GLU 56 -5.041 -13.227 -0.877 457 1HG GLU 56 HG2 GLU 56 -2.814 -14.775 -2.264 458 2HG GLU 56 HG3 GLU 56 -4.471 -14.673 -2.845 459 H SER 57 H SER 57 -3.715 -14.945 2.087 460 HA SER 57 HA SER 57 -5.414 -13.159 3.550 461 1HB SER 57 HB2 SER 57 -3.930 -15.619 4.561 462 2HB SER 57 HB3 SER 57 -5.336 -14.841 5.304 463 HG SER 57 HG SER 57 -5.229 -16.110 2.753 464 H ALA 58 H ALA 58 -1.961 -13.959 3.876 465 HA ALA 58 HA ALA 58 -1.619 -12.823 6.479 466 1HB ALA 58 HB1 ALA 58 0.760 -13.257 6.017 467 2HB ALA 58 HB2 ALA 58 -0.276 -14.656 5.669 468 3HB ALA 58 HB3 ALA 58 0.353 -13.661 4.338 469 H ASN 59 H ASN 59 -1.470 -10.699 6.998 470 HA ASN 59 HA ASN 59 -0.519 -8.741 4.953 471 1HB ASN 59 HB2 ASN 59 -2.652 -8.524 6.476 472 2HB ASN 59 HB3 ASN 59 -1.504 -7.989 7.705 473 1HD2 ASN 59 2HD2 ASN 59 0.209 -6.281 6.573 474 2HD2 ASN 59 1HD2 ASN 59 -0.619 -5.017 5.662 475 H SER 60 H SER 60 1.218 -10.823 6.443 476 HA SER 60 HA SER 60 3.468 -9.107 6.753 477 1HB SER 60 HB2 SER 60 2.728 -8.603 8.964 478 2HB SER 60 HB3 SER 60 2.244 -10.281 9.279 479 HG SER 60 HG SER 60 4.374 -9.521 10.137 480 H ARG 61 H ARG 61 5.345 -10.333 6.712 481 HA ARG 61 HA ARG 61 5.418 -12.976 5.652 482 1HB ARG 61 HB2 ARG 61 7.314 -11.487 5.455 483 2HB ARG 61 HB3 ARG 61 7.377 -11.244 7.206 484 1HG ARG 61 HG2 ARG 61 8.031 -13.596 7.540 485 2HG ARG 61 HG3 ARG 61 7.947 -13.890 5.799 486 1HD ARG 61 HD2 ARG 61 9.862 -12.773 5.384 487 2HD ARG 61 HD3 ARG 61 9.634 -11.543 6.620 488 HE ARG 61 HE ARG 61 11.179 -13.941 6.901 489 1HH1 ARG 61 1HH2 ARG 61 8.956 -11.867 8.696 490 2HH1 ARG 61 2HH2 ARG 61 9.555 -12.304 10.271 491 1HH2 ARG 61 1HH1 ARG 61 12.155 -14.352 8.939 492 2HH2 ARG 61 2HH1 ARG 61 11.462 -13.690 10.396 493 H ASP 62 H ASP 62 5.687 -11.676 8.959 494 HA ASP 62 HA ASP 62 6.191 -14.159 10.262 495 1HB ASP 62 HB2 ASP 62 4.854 -11.699 11.424 496 2HB ASP 62 HB3 ASP 62 5.639 -13.005 12.323 497 H GLU 63 H GLU 63 3.147 -12.471 9.473 498 HA GLU 63 HA GLU 63 1.399 -14.372 10.747 499 1HB GLU 63 HB2 GLU 63 0.596 -12.167 10.124 500 2HB GLU 63 HB3 GLU 63 0.837 -12.503 8.396 501 1HG GLU 63 HG2 GLU 63 -0.874 -14.148 8.352 502 2HG GLU 63 HG3 GLU 63 -0.991 -14.231 10.109 503 H TYR 64 H TYR 64 2.533 -14.009 7.362 504 HA TYR 64 HA TYR 64 1.400 -16.250 6.176 505 1HB TYR 64 HB2 TYR 64 2.494 -14.640 4.873 506 2HB TYR 64 HB3 TYR 64 3.987 -14.781 5.753 507 HD1 TYR 64 HD1 TYR 64 1.718 -16.834 3.574 508 HD2 TYR 64 HD2 TYR 64 5.754 -15.926 4.797 509 HE1 TYR 64 HE1 TYR 64 2.584 -17.960 1.555 510 HE2 TYR 64 HE2 TYR 64 6.615 -16.995 2.742 511 HH TYR 64 HH TYR 64 4.458 -18.280 0.219 512 H TYR 65 H TYR 65 4.582 -16.178 7.895 513 HA TYR 65 HA TYR 65 4.996 -19.002 7.820 514 1HB TYR 65 HB2 TYR 65 5.898 -16.782 9.676 515 2HB TYR 65 HB3 TYR 65 6.184 -18.460 10.107 516 HD1 TYR 65 HD1 TYR 65 7.526 -15.730 8.242 517 HD2 TYR 65 HD2 TYR 65 7.321 -20.019 8.458 518 HE1 TYR 65 HE1 TYR 65 9.550 -15.896 6.832 519 HE2 TYR 65 HE2 TYR 65 9.404 -20.191 7.145 520 HH TYR 65 HH TYR 65 11.175 -17.300 6.070 521 H HIS 66 H HIS 66 3.466 -17.022 10.417 522 HA HIS 66 HA HIS 66 2.985 -19.163 12.137 523 1HB HIS 66 HB2 HIS 66 2.856 -16.833 12.831 524 2HB HIS 66 HB3 HIS 66 1.401 -16.597 11.852 525 HD2 HIS 66 HD2 HIS 66 -0.856 -17.005 13.085 526 HE1 HIS 66 HE1 HIS 66 0.498 -19.520 16.241 527 HE2 HIS 66 HE2 HIS 66 -1.521 -18.324 15.253 528 H LEU 67 H LEU 67 0.540 -17.743 9.860 529 HA LEU 67 HA LEU 67 -1.316 -19.801 10.651 530 1HB LEU 67 HB2 LEU 67 -2.744 -19.049 8.731 531 2HB LEU 67 HB3 LEU 67 -2.495 -18.003 10.123 532 HG LEU 67 HG LEU 67 -1.034 -16.547 8.921 533 1HD1 LEU 67 1HD1 LEU 67 -0.755 -16.934 6.398 534 2HD1 LEU 67 2HD1 LEU 67 0.170 -18.010 7.457 535 3HD1 LEU 67 3HD1 LEU 67 -1.309 -18.597 6.694 536 1HD2 LEU 67 1HD2 LEU 67 -3.419 -16.129 8.713 537 2HD2 LEU 67 2HD2 LEU 67 -2.557 -15.662 7.239 538 3HD2 LEU 67 3HD2 LEU 67 -3.490 -17.173 7.262 539 H LEU 68 H LEU 68 1.181 -19.768 8.142 540 HA LEU 68 HA LEU 68 0.171 -22.169 6.879 541 1HB LEU 68 HB2 LEU 68 2.933 -20.919 7.045 542 2HB LEU 68 HB3 LEU 68 2.685 -22.499 6.306 543 HG LEU 68 HG LEU 68 1.146 -20.047 5.397 544 1HD1 LEU 68 1HD1 LEU 68 2.740 -19.978 3.505 545 2HD1 LEU 68 2HD1 LEU 68 3.558 -19.646 5.044 546 3HD1 LEU 68 3HD1 LEU 68 3.726 -21.237 4.278 547 1HD2 LEU 68 1HD2 LEU 68 0.716 -21.366 3.403 548 2HD2 LEU 68 2HD2 LEU 68 1.785 -22.660 3.951 549 3HD2 LEU 68 3HD2 LEU 68 0.240 -22.386 4.758 550 H ALA 69 H ALA 69 2.586 -21.635 9.507 551 HA ALA 69 HA ALA 69 3.071 -24.367 10.050 552 1HB ALA 69 HB1 ALA 69 3.833 -23.602 12.244 553 2HB ALA 69 HB2 ALA 69 4.388 -22.494 10.974 554 3HB ALA 69 HB3 ALA 69 3.022 -22.037 12.013 555 H GLU 70 H GLU 70 0.556 -22.191 11.448 556 HA GLU 70 HA GLU 70 -0.685 -24.110 13.093 557 1HB GLU 70 HB2 GLU 70 -1.083 -21.659 13.156 558 2HB GLU 70 HB3 GLU 70 -1.918 -21.761 11.596 559 1HG GLU 70 HG2 GLU 70 -3.495 -21.627 13.438 560 2HG GLU 70 HG3 GLU 70 -3.683 -23.166 12.590 561 H LYS 71 H LYS 71 -1.417 -23.235 9.646 562 HA LYS 71 HA LYS 71 -3.537 -25.026 9.274 563 1HB LYS 71 HB2 LYS 71 -3.021 -23.274 7.758 564 2HB LYS 71 HB3 LYS 71 -1.450 -23.969 7.347 565 1HG LYS 71 HG2 LYS 71 -3.079 -24.291 5.567 566 2HG LYS 71 HG3 LYS 71 -2.520 -25.834 6.206 567 1HD LYS 71 HD2 LYS 71 -4.540 -26.247 7.350 568 2HD LYS 71 HD3 LYS 71 -5.062 -24.554 7.248 569 1HE LYS 71 HE2 LYS 71 -4.696 -26.259 4.758 570 2HE LYS 71 HE3 LYS 71 -6.208 -26.266 5.683 571 1HZ LYS 71 HZ1 LYS 71 -6.378 -23.920 5.363 572 2HZ LYS 71 HZ2 LYS 71 -4.968 -23.884 4.510 573 3HZ LYS 71 HZ3 LYS 71 -6.273 -24.690 3.910 574 H ILE 72 H ILE 72 -0.010 -25.574 8.741 575 HA ILE 72 HA ILE 72 -0.161 -28.306 7.982 576 HB ILE 72 HB ILE 72 1.953 -26.809 9.561 577 1HG1 ILE 72 2HG1 ILE 72 1.937 -27.676 6.644 578 2HG1 ILE 72 3HG1 ILE 72 1.478 -26.054 7.197 579 1HG2 ILE 72 1HG2 ILE 72 2.229 -29.118 10.083 580 2HG2 ILE 72 2HG2 ILE 72 2.060 -29.609 8.380 581 3HG2 ILE 72 3HG2 ILE 72 3.482 -28.689 8.935 582 1HD1 ILE 72 1HD1 ILE 72 3.676 -25.736 6.696 583 2HD1 ILE 72 2HD1 ILE 72 3.760 -26.027 8.429 584 3HD1 ILE 72 3HD1 ILE 72 4.207 -27.323 7.290 585 H TYR 73 H TYR 73 0.166 -26.839 11.244 586 HA TYR 73 HA TYR 73 0.272 -29.158 12.763 587 1HB TYR 73 HB2 TYR 73 0.519 -26.682 13.368 588 2HB TYR 73 HB3 TYR 73 -1.215 -26.682 13.639 589 HD1 TYR 73 HD1 TYR 73 -0.858 -29.751 14.919 590 HD2 TYR 73 HD2 TYR 73 1.038 -25.947 15.603 591 HE1 TYR 73 HE1 TYR 73 -1.197 -30.035 17.324 592 HE2 TYR 73 HE2 TYR 73 0.776 -26.259 18.019 593 HH TYR 73 HH TYR 73 -1.140 -28.969 19.402 594 H LYS 74 H LYS 74 -2.659 -27.301 11.891 595 HA LYS 74 HA LYS 74 -4.557 -29.182 12.904 596 1HB LYS 74 HB2 LYS 74 -4.821 -27.228 10.565 597 2HB LYS 74 HB3 LYS 74 -6.141 -28.138 11.308 598 1HG LYS 74 HG2 LYS 74 -5.529 -27.046 13.543 599 2HG LYS 74 HG3 LYS 74 -4.380 -26.045 12.657 600 1HD LYS 74 HD2 LYS 74 -6.307 -24.710 12.852 601 2HD LYS 74 HD3 LYS 74 -6.331 -25.290 11.179 602 1HE LYS 74 HE2 LYS 74 -7.978 -27.088 11.881 603 2HE LYS 74 HE3 LYS 74 -7.909 -26.458 13.532 604 1HZ LYS 74 HZ1 LYS 74 -8.836 -24.979 11.171 605 2HZ LYS 74 HZ2 LYS 74 -9.787 -25.623 12.353 606 3HZ LYS 74 HZ3 LYS 74 -8.763 -24.382 12.706 607 H ILE 75 H ILE 75 -3.229 -28.939 9.523 608 HA ILE 75 HA ILE 75 -4.636 -31.131 8.437 609 HB ILE 75 HB ILE 75 -1.791 -30.176 7.872 610 1HG1 ILE 75 2HG1 ILE 75 -4.418 -29.868 6.315 611 2HG1 ILE 75 3HG1 ILE 75 -3.821 -28.634 7.413 612 1HG2 ILE 75 1HG2 ILE 75 -1.938 -32.500 7.151 613 2HG2 ILE 75 2HG2 ILE 75 -3.552 -32.228 6.459 614 3HG2 ILE 75 3HG2 ILE 75 -2.120 -31.508 5.715 615 1HD1 ILE 75 1HD1 ILE 75 -3.203 -27.993 5.192 616 2HD1 ILE 75 2HD1 ILE 75 -1.723 -28.446 6.057 617 3HD1 ILE 75 3HD1 ILE 75 -2.444 -29.544 4.855 618 H GLN 76 H GLN 76 -1.487 -31.187 10.192 619 HA GLN 76 HA GLN 76 -1.143 -33.990 9.954 620 1HB GLN 76 HB2 GLN 76 -0.143 -32.064 12.074 621 2HB GLN 76 HB3 GLN 76 0.427 -33.715 11.851 622 1HG GLN 76 HG2 GLN 76 0.449 -32.295 9.276 623 2HG GLN 76 HG3 GLN 76 1.258 -31.321 10.470 624 1HE2 GLN 76 2HE2 GLN 76 2.467 -32.358 8.194 625 2HE2 GLN 76 1HE2 GLN 76 3.639 -33.580 8.631 626 H LYS 77 H LYS 77 -2.614 -32.064 12.590 627 HA LYS 77 HA LYS 77 -3.303 -34.272 14.256 628 1HB LYS 77 HB2 LYS 77 -4.467 -31.495 13.907 629 2HB LYS 77 HB3 LYS 77 -5.010 -32.572 15.173 630 1HG LYS 77 HG2 LYS 77 -2.195 -31.515 14.827 631 2HG LYS 77 HG3 LYS 77 -3.381 -31.013 16.029 632 1HD LYS 77 HD2 LYS 77 -2.344 -32.493 17.395 633 2HD LYS 77 HD3 LYS 77 -3.248 -33.730 16.521 634 1HE LYS 77 HE2 LYS 77 -1.220 -33.848 14.897 635 2HE LYS 77 HE3 LYS 77 -0.385 -32.758 16.008 636 1HZ LYS 77 HZ1 LYS 77 -0.674 -34.411 17.719 637 2HZ LYS 77 HZ2 LYS 77 -1.444 -35.416 16.660 638 3HZ LYS 77 HZ3 LYS 77 0.138 -35.026 16.422 639 H GLU 78 H GLU 78 -5.342 -32.606 11.861 640 HA GLU 78 HA GLU 78 -7.596 -34.314 12.285 641 1HB GLU 78 HB2 GLU 78 -6.850 -32.509 9.958 642 2HB GLU 78 HB3 GLU 78 -8.423 -33.295 10.148 643 1HG GLU 78 HG2 GLU 78 -7.238 -31.287 12.107 644 2HG GLU 78 HG3 GLU 78 -8.484 -30.957 10.906 645 H LEU 79 H LEU 79 -5.117 -34.270 9.740 646 HA LEU 79 HA LEU 79 -6.327 -36.390 8.234 647 1HB LEU 79 HB2 LEU 79 -5.141 -34.307 7.389 648 2HB LEU 79 HB3 LEU 79 -3.620 -35.091 7.855 649 HG LEU 79 HG LEU 79 -3.943 -36.830 6.203 650 1HD1 LEU 79 1HD1 LEU 79 -6.394 -37.079 6.128 651 2HD1 LEU 79 2HD1 LEU 79 -6.572 -35.401 5.567 652 3HD1 LEU 79 3HD1 LEU 79 -5.813 -36.622 4.526 653 1HD2 LEU 79 1HD2 LEU 79 -4.430 -34.033 5.103 654 2HD2 LEU 79 2HD2 LEU 79 -2.861 -34.698 5.597 655 3HD2 LEU 79 3HD2 LEU 79 -3.718 -35.398 4.210 656 H GLU 80 H GLU 80 -4.246 -36.451 10.906 657 HA GLU 80 HA GLU 80 -2.205 -37.984 10.533 658 1HB GLU 80 HB2 GLU 80 -3.323 -37.176 12.768 659 2HB GLU 80 HB3 GLU 80 -4.045 -38.781 12.813 660 1HG GLU 80 HG2 GLU 80 -2.045 -38.843 14.125 661 2HG GLU 80 HG3 GLU 80 -1.672 -39.732 12.644 662 H GLU 81 H GLU 81 -5.434 -39.489 10.786 663 HA GLU 81 HA GLU 81 -4.712 -42.193 10.635 664 1HB GLU 81 HB2 GLU 81 -7.115 -40.867 9.326 665 2HB GLU 81 HB3 GLU 81 -6.948 -42.582 9.704 666 1HG GLU 81 HG2 GLU 81 -7.138 -40.299 11.705 667 2HG GLU 81 HG3 GLU 81 -8.355 -41.527 11.368 668 H LYS 82 H LYS 82 -5.117 -39.871 7.953 669 HA LYS 82 HA LYS 82 -4.597 -41.907 5.923 670 1HB LYS 82 HB2 LYS 82 -6.159 -39.963 5.668 671 2HB LYS 82 HB3 LYS 82 -4.756 -38.895 5.574 672 1HG LYS 82 HG2 LYS 82 -5.018 -41.313 3.744 673 2HG LYS 82 HG3 LYS 82 -5.940 -39.842 3.417 674 1HD LYS 82 HD2 LYS 82 -3.881 -38.495 3.333 675 2HD LYS 82 HD3 LYS 82 -2.892 -39.934 3.608 676 1HE LYS 82 HE2 LYS 82 -4.775 -39.533 1.240 677 2HE LYS 82 HE3 LYS 82 -3.019 -39.311 1.214 678 1HZ LYS 82 HZ1 LYS 82 -3.606 -41.452 0.398 679 2HZ LYS 82 HZ2 LYS 82 -2.780 -41.616 1.815 680 3HZ LYS 82 HZ3 LYS 82 -4.409 -41.835 1.781 681 H ARG 83 H ARG 83 -2.830 -39.309 7.641 682 HA ARG 83 HA ARG 83 -0.401 -39.520 6.132 683 1HB ARG 83 HB2 ARG 83 -0.692 -38.863 9.087 684 2HB ARG 83 HB3 ARG 83 0.751 -38.673 8.094 685 1HG ARG 83 HG2 ARG 83 -0.566 -37.157 6.548 686 2HG ARG 83 HG3 ARG 83 -1.903 -37.224 7.709 687 1HD ARG 83 HD2 ARG 83 -0.617 -35.222 8.066 688 2HD ARG 83 HD3 ARG 83 -0.400 -36.273 9.464 689 HE ARG 83 HE ARG 83 1.528 -35.771 7.206 690 1HH1 ARG 83 1HH1 ARG 83 1.078 -37.272 10.421 691 2HH1 ARG 83 2HH1 ARG 83 2.778 -37.249 10.771 692 1HH2 ARG 83 1HH2 ARG 83 3.736 -35.602 7.792 693 2HH2 ARG 83 2HH2 ARG 83 4.293 -36.387 9.243 694 H ARG 84 H ARG 84 -1.692 -41.576 8.782 695 HA ARG 84 HA ARG 84 0.661 -43.326 8.651 696 1HB ARG 84 HB2 ARG 84 -2.118 -43.756 9.817 697 2HB ARG 84 HB3 ARG 84 -0.778 -44.921 9.889 698 1HG ARG 84 HG2 ARG 84 0.633 -43.128 10.933 699 2HG ARG 84 HG3 ARG 84 -0.779 -42.083 11.025 700 1HD ARG 84 HD2 ARG 84 -1.233 -44.773 12.236 701 2HD ARG 84 HD3 ARG 84 0.113 -43.904 12.943 702 HE ARG 84 HE ARG 84 -1.214 -42.235 13.761 703 1HH1 ARG 84 2HH2 ARG 84 -3.209 -44.445 11.847 704 2HH1 ARG 84 1HH2 ARG 84 -4.720 -43.845 12.477 705 1HH2 ARG 84 1HH1 ARG 84 -3.157 -41.421 14.555 706 2HH2 ARG 84 2HH1 ARG 84 -4.688 -42.053 14.014 707 H SER 85 H SER 85 -2.675 -43.588 7.441 708 HA SER 85 HA SER 85 -2.060 -45.914 5.800 709 1HB SER 85 HB2 SER 85 -4.206 -45.665 6.937 710 2HB SER 85 HB3 SER 85 -4.546 -44.178 6.036 711 HG SER 85 HG SER 85 -4.451 -45.402 4.128 712 H ARG 86 H ARG 86 -0.224 -44.311 4.811 713 HA ARG 86 HA ARG 86 -1.170 -42.691 2.578 714 1HB ARG 86 HB2 ARG 86 1.600 -43.667 3.297 715 2HB ARG 86 HB3 ARG 86 1.226 -42.663 1.886 716 1HG ARG 86 HG2 ARG 86 0.179 -40.956 3.404 717 2HG ARG 86 HG3 ARG 86 0.732 -41.928 4.773 718 1HD ARG 86 HD2 ARG 86 3.102 -41.664 3.929 719 2HD ARG 86 HD3 ARG 86 2.493 -40.674 2.616 720 HE ARG 86 HE ARG 86 1.895 -38.930 4.076 721 1HH1 ARG 86 1HH2 ARG 86 3.410 -41.558 5.892 722 2HH1 ARG 86 2HH2 ARG 86 3.986 -40.528 7.166 723 1HH2 ARG 86 2HH1 ARG 86 2.434 -37.626 5.864 724 2HH2 ARG 86 1HH1 ARG 86 3.315 -38.292 7.204 725 H LEU 87 H LEU 87 -2.634 -44.400 1.737 726 HA LEU 87 HA LEU 87 -1.308 -45.393 -0.665 727 1HB LEU 87 HB2 LEU 87 -1.941 -47.604 -0.645 728 2HB LEU 87 HB3 LEU 87 -1.270 -47.352 0.963 729 HG LEU 87 HG LEU 87 -4.230 -47.548 0.203 730 1HD1 LEU 87 1HD1 LEU 87 -2.428 -49.404 1.806 731 2HD1 LEU 87 2HD1 LEU 87 -4.155 -49.645 1.464 732 3HD1 LEU 87 3HD1 LEU 87 -2.980 -49.674 0.138 733 1HD2 LEU 87 1HD2 LEU 87 -4.091 -46.029 2.087 734 2HD2 LEU 87 2HD2 LEU 87 -4.609 -47.604 2.690 735 3HD2 LEU 87 3HD2 LEU 87 -2.924 -47.088 2.921 736 1H LYS 88 H1 LYS 88 4.185 -37.390 21.901 737 2H LYS 88 H2 LYS 88 5.255 -36.294 21.306 738 3H LYS 88 H3 LYS 88 4.888 -36.297 22.914 739 HA LYS 88 HA LYS 88 3.028 -35.709 20.728 740 1HB LYS 88 HB2 LYS 88 2.645 -35.558 23.750 741 2HB LYS 88 HB3 LYS 88 1.520 -34.910 22.541 742 1HG LYS 88 HG2 LYS 88 1.255 -37.197 21.584 743 2HG LYS 88 HG3 LYS 88 2.334 -37.839 22.841 744 1HD LYS 88 HD2 LYS 88 0.791 -37.011 24.599 745 2HD LYS 88 HD3 LYS 88 -0.295 -36.373 23.348 746 1HE LYS 88 HE2 LYS 88 -0.617 -38.671 22.450 747 2HE LYS 88 HE3 LYS 88 0.474 -39.312 23.695 748 1HZ LYS 88 HZ1 LYS 88 -2.063 -37.922 24.199 749 2HZ LYS 88 HZ2 LYS 88 -1.810 -39.547 24.304 750 3HZ LYS 88 HZ3 LYS 88 -1.050 -38.527 25.351 751 H GLU 89 H GLU 89 4.072 -34.029 23.718 752 HA GLU 89 HA GLU 89 3.900 -31.440 22.874 753 1HB GLU 89 HB2 GLU 89 4.443 -32.218 25.156 754 2HB GLU 89 HB3 GLU 89 6.081 -32.643 24.647 755 1HG GLU 89 HG2 GLU 89 6.485 -30.221 24.076 756 2HG GLU 89 HG3 GLU 89 4.865 -29.845 24.690 757 H LYS 90 H LYS 90 6.837 -33.416 22.654 758 HA LYS 90 HA LYS 90 8.424 -31.506 21.268 759 1HB LYS 90 HB2 LYS 90 8.689 -34.539 21.228 760 2HB LYS 90 HB3 LYS 90 9.949 -33.359 20.855 761 1HG LYS 90 HG2 LYS 90 8.662 -33.858 23.582 762 2HG LYS 90 HG3 LYS 90 10.295 -34.273 23.066 763 1HD LYS 90 HD2 LYS 90 10.786 -31.833 22.727 764 2HD LYS 90 HD3 LYS 90 9.199 -31.437 23.410 765 1HE LYS 90 HE2 LYS 90 11.401 -32.973 24.863 766 2HE LYS 90 HE3 LYS 90 11.031 -31.255 25.071 767 1HZ LYS 90 HZ1 LYS 90 9.181 -33.456 25.652 768 2HZ LYS 90 HZ2 LYS 90 10.022 -32.573 26.758 769 3HZ LYS 90 HZ3 LYS 90 8.862 -31.847 25.846 770 H ARG 91 H ARG 91 6.071 -33.849 20.101 771 HA ARG 91 HA ARG 91 6.953 -33.823 17.323 772 1HB ARG 91 HB2 ARG 91 5.832 -35.734 18.176 773 2HB ARG 91 HB3 ARG 91 4.403 -34.825 18.645 774 1HG ARG 91 HG2 ARG 91 5.269 -34.813 15.743 775 2HG ARG 91 HG3 ARG 91 4.508 -36.245 16.435 776 1HD ARG 91 HD2 ARG 91 2.606 -34.815 17.251 777 2HD ARG 91 HD3 ARG 91 3.179 -33.489 16.235 778 HE ARG 91 HE ARG 91 1.746 -35.873 15.482 779 1HH1 ARG 91 2HH2 ARG 91 4.289 -33.732 14.185 780 2HH1 ARG 91 1HH2 ARG 91 3.716 -33.942 12.534 781 1HH2 ARG 91 2HH1 ARG 91 1.091 -36.099 13.293 782 2HH2 ARG 91 1HH1 ARG 91 2.009 -35.253 12.049 783 H ILE 92 H ILE 92 4.299 -32.340 19.219 784 HA ILE 92 HA ILE 92 3.247 -30.655 17.186 785 HB ILE 92 HB ILE 92 3.247 -30.645 20.214 786 1HG1 ILE 92 2HG1 ILE 92 0.760 -30.505 19.768 787 2HG1 ILE 92 3HG1 ILE 92 1.118 -30.596 18.036 788 1HG2 ILE 92 1HG2 ILE 92 1.862 -28.550 20.177 789 2HG2 ILE 92 2HG2 ILE 92 3.561 -28.281 19.837 790 3HG2 ILE 92 3HG2 ILE 92 2.394 -28.291 18.500 791 1HD1 ILE 92 1HD1 ILE 92 1.732 -32.723 20.119 792 2HD1 ILE 92 2HD1 ILE 92 0.408 -32.752 18.943 793 3HD1 ILE 92 3HD1 ILE 92 2.079 -32.850 18.373 794 H LYS 93 H LYS 93 5.840 -29.999 19.608 795 HA LYS 93 HA LYS 93 6.199 -27.365 18.639 796 1HB LYS 93 HB2 LYS 93 8.026 -29.149 20.266 797 2HB LYS 93 HB3 LYS 93 8.375 -27.443 19.965 798 1HG LYS 93 HG2 LYS 93 5.683 -28.208 21.140 799 2HG LYS 93 HG3 LYS 93 7.119 -28.236 22.154 800 1HD LYS 93 HD2 LYS 93 5.977 -26.136 22.422 801 2HD LYS 93 HD3 LYS 93 7.573 -25.869 21.714 802 1HE LYS 93 HE2 LYS 93 6.605 -25.426 19.528 803 2HE LYS 93 HE3 LYS 93 4.992 -25.962 20.071 804 1HZ LYS 93 HZ1 LYS 93 6.457 -23.624 21.061 805 2HZ LYS 93 HZ2 LYS 93 5.204 -23.615 19.987 806 3HZ LYS 93 HZ3 LYS 93 4.952 -24.102 21.543 807 H GLU 94 H GLU 94 8.129 -30.335 17.848 808 HA GLU 94 HA GLU 94 9.877 -28.883 16.132 809 1HB GLU 94 HB2 GLU 94 10.688 -30.917 15.299 810 2HB GLU 94 HB3 GLU 94 10.357 -31.121 17.014 811 1HG GLU 94 HG2 GLU 94 9.638 -33.129 16.051 812 2HG GLU 94 HG3 GLU 94 8.156 -32.222 16.343 813 H LEU 95 H LEU 95 6.725 -30.489 15.494 814 HA LEU 95 HA LEU 95 6.641 -30.051 12.722 815 1HB LEU 95 HB2 LEU 95 5.059 -31.458 13.957 816 2HB LEU 95 HB3 LEU 95 4.426 -30.046 14.808 817 HG LEU 95 HG LEU 95 3.621 -29.124 12.595 818 1HD1 LEU 95 1HD1 LEU 95 4.495 -31.891 11.626 819 2HD1 LEU 95 2HD1 LEU 95 3.434 -30.800 10.725 820 3HD1 LEU 95 3HD1 LEU 95 5.100 -30.325 11.042 821 1HD2 LEU 95 1HD2 LEU 95 2.143 -30.259 14.157 822 2HD2 LEU 95 2HD2 LEU 95 1.736 -30.688 12.489 823 3HD2 LEU 95 3HD2 LEU 95 2.603 -31.841 13.507 824 H GLU 96 H GLU 96 5.396 -27.948 15.372 825 HA GLU 96 HA GLU 96 4.480 -25.835 13.742 826 1HB GLU 96 HB2 GLU 96 3.873 -26.170 16.068 827 2HB GLU 96 HB3 GLU 96 5.508 -25.787 16.601 828 1HG GLU 96 HG2 GLU 96 5.262 -23.478 15.723 829 2HG GLU 96 HG3 GLU 96 3.648 -23.882 15.109 830 H LEU 97 H LEU 97 7.659 -26.337 15.325 831 HA LEU 97 HA LEU 97 8.857 -23.901 14.494 832 1HB LEU 97 HB2 LEU 97 9.574 -25.226 16.387 833 2HB LEU 97 HB3 LEU 97 10.099 -26.550 15.346 834 HG LEU 97 HG LEU 97 11.285 -23.832 14.807 835 1HD1 LEU 97 1HD1 LEU 97 12.055 -25.524 17.219 836 2HD1 LEU 97 2HD1 LEU 97 12.956 -24.122 16.604 837 3HD1 LEU 97 3HD1 LEU 97 11.325 -23.904 17.257 838 1HD2 LEU 97 1HD2 LEU 97 12.495 -26.638 14.990 839 2HD2 LEU 97 2HD2 LEU 97 11.994 -25.857 13.482 840 3HD2 LEU 97 3HD2 LEU 97 13.324 -25.176 14.424 841 H LEU 98 H LEU 98 8.773 -27.123 12.960 842 HA LEU 98 HA LEU 98 10.820 -26.958 11.175 843 1HB LEU 98 HB2 LEU 98 9.445 -28.943 11.462 844 2HB LEU 98 HB3 LEU 98 8.043 -28.125 10.763 845 HG LEU 98 HG LEU 98 9.155 -28.018 8.576 846 1HD1 LEU 98 1HD1 LEU 98 11.247 -29.395 8.230 847 2HD1 LEU 98 2HD1 LEU 98 11.532 -27.950 9.207 848 3HD1 LEU 98 3HD1 LEU 98 11.400 -29.542 9.990 849 1HD2 LEU 98 1HD2 LEU 98 9.139 -30.805 9.801 850 2HD2 LEU 98 2HD2 LEU 98 7.722 -29.934 9.177 851 3HD2 LEU 98 3HD2 LEU 98 9.020 -30.415 8.071 852 H LEU 99 H LEU 99 7.478 -25.764 10.516 853 HA LEU 99 HA LEU 99 8.193 -24.772 7.945 854 1HB LEU 99 HB2 LEU 99 5.881 -25.322 8.932 855 2HB LEU 99 HB3 LEU 99 5.877 -23.696 9.592 856 HG LEU 99 HG LEU 99 4.640 -23.802 7.526 857 1HD1 LEU 99 1HD1 LEU 99 5.568 -22.050 6.238 858 2HD1 LEU 99 2HD1 LEU 99 5.998 -21.733 7.931 859 3HD1 LEU 99 3HD1 LEU 99 7.213 -22.397 6.783 860 1HD2 LEU 99 1HD2 LEU 99 5.505 -24.472 5.410 861 2HD2 LEU 99 2HD2 LEU 99 7.163 -24.536 6.000 862 3HD2 LEU 99 3HD2 LEU 99 5.998 -25.761 6.536 863 H MET 100 H MET 100 7.753 -23.069 11.054 864 HA MET 100 HA MET 100 8.418 -20.451 10.463 865 1HB MET 100 HB2 MET 100 9.332 -22.076 12.863 866 2HB MET 100 HB3 MET 100 9.393 -20.325 12.745 867 1HG MET 100 HG2 MET 100 6.787 -21.888 12.536 868 2HG MET 100 HG3 MET 100 7.485 -21.296 14.043 869 1HE MET 100 HE1 MET 100 5.485 -19.989 14.821 870 2HE MET 100 HE2 MET 100 4.571 -18.849 13.816 871 3HE MET 100 HE3 MET 100 4.566 -20.587 13.417 872 H SER 101 H SER 101 10.718 -23.108 11.116 873 HA SER 101 HA SER 101 13.038 -21.488 10.921 874 1HB SER 101 HB2 SER 101 14.272 -23.531 11.119 875 2HB SER 101 HB3 SER 101 12.841 -23.642 12.158 876 HG SER 101 HG SER 101 11.875 -24.776 10.229 877 H THR 102 H THR 102 11.086 -22.477 8.298 878 HA THR 102 HA THR 102 12.793 -23.603 6.527 879 HB THR 102 HB THR 102 10.611 -21.631 5.813 880 HG1 THR 102 HG1 THR 102 9.888 -23.428 6.942 881 1HG2 THR 102 1HG2 THR 102 12.208 -23.628 4.168 882 2HG2 THR 102 2HG2 THR 102 10.631 -23.000 3.643 883 3HG2 THR 102 3HG2 THR 102 12.005 -21.905 3.850 884 H GLU 103 H GLU 103 12.484 -19.936 6.642 885 HA GLU 103 HA GLU 103 14.408 -19.590 4.609 886 1HB GLU 103 HB2 GLU 103 14.732 -17.315 5.465 887 2HB GLU 103 HB3 GLU 103 13.055 -17.793 5.255 888 1HG GLU 103 HG2 GLU 103 12.962 -18.219 7.797 889 2HG GLU 103 HG3 GLU 103 14.592 -17.540 7.886 890 H ASN 104 H ASN 104 14.895 -20.021 8.088 891 HA ASN 104 HA ASN 104 17.684 -19.445 8.161 892 1HB ASN 104 HB2 ASN 104 16.223 -21.409 9.967 893 2HB ASN 104 HB3 ASN 104 17.704 -20.519 10.310 894 1HD2 ASN 104 2HD2 ASN 104 17.491 -18.439 11.256 895 2HD2 ASN 104 1HD2 ASN 104 15.936 -17.648 11.442 896 H GLU 105 H GLU 105 15.889 -22.515 7.876 897 HA GLU 105 HA GLU 105 18.087 -24.269 7.484 898 1HB GLU 105 HB2 GLU 105 15.879 -25.029 8.036 899 2HB GLU 105 HB3 GLU 105 15.180 -24.375 6.558 900 1HG GLU 105 HG2 GLU 105 17.393 -26.410 6.276 901 2HG GLU 105 HG3 GLU 105 15.819 -26.956 6.856 902 H LEU 106 H LEU 106 16.113 -22.477 5.141 903 HA LEU 106 HA LEU 106 17.162 -23.384 2.747 904 1HB LEU 106 HB2 LEU 106 15.123 -21.901 3.131 905 2HB LEU 106 HB3 LEU 106 16.232 -20.543 3.301 906 HG LEU 106 HG LEU 106 17.105 -21.250 0.927 907 1HD1 LEU 106 1HD1 LEU 106 15.875 -23.425 0.841 908 2HD1 LEU 106 2HD1 LEU 106 14.340 -22.549 1.026 909 3HD1 LEU 106 3HD1 LEU 106 15.318 -22.335 -0.440 910 1HD2 LEU 106 1HD2 LEU 106 15.846 -19.172 1.415 911 2HD2 LEU 106 2HD2 LEU 106 15.328 -19.889 -0.122 912 3HD2 LEU 106 3HD2 LEU 106 14.322 -20.079 1.327 913 H LYS 107 H LYS 107 18.123 -20.311 4.460 914 HA LYS 107 HA LYS 107 20.379 -19.940 2.733 915 1HB LYS 107 HB2 LYS 107 21.129 -18.232 4.177 916 2HB LYS 107 HB3 LYS 107 19.375 -18.114 4.010 917 1HG LYS 107 HG2 LYS 107 19.111 -19.158 6.259 918 2HG LYS 107 HG3 LYS 107 20.877 -19.239 6.423 919 1HD LYS 107 HD2 LYS 107 20.989 -16.756 6.111 920 2HD LYS 107 HD3 LYS 107 19.216 -16.704 6.060 921 1HE LYS 107 HE2 LYS 107 19.106 -17.598 8.362 922 2HE LYS 107 HE3 LYS 107 20.874 -17.748 8.409 923 1HZ LYS 107 HZ1 LYS 107 19.375 -15.240 8.114 924 2HZ LYS 107 HZ2 LYS 107 20.118 -15.770 9.486 925 3HZ LYS 107 HZ3 LYS 107 21.016 -15.381 8.162 926 H GLY 108 H GLY 108 19.991 -21.638 5.837 927 1HA GLY 108 HA2 GLY 108 22.554 -22.387 6.509 928 2HA GLY 108 HA3 GLY 108 21.119 -23.411 6.679 929 H GLN 109 H GLN 109 20.559 -23.710 3.816 930 HA GLN 109 HA GLN 109 22.100 -26.003 3.285 931 1HB GLN 109 HB2 GLN 109 20.704 -24.279 1.197 932 2HB GLN 109 HB3 GLN 109 21.202 -25.962 1.030 933 1HG GLN 109 HG2 GLN 109 18.967 -24.887 2.770 934 2HG GLN 109 HG3 GLN 109 18.857 -25.966 1.392 935 1HE2 GLN 109 2HE2 GLN 109 19.446 -25.724 4.814 936 2HE2 GLN 109 1HE2 GLN 109 19.655 -27.454 5.115 937 H GLN 110 H GLN 110 23.098 -22.677 2.778 938 HA GLN 110 HA GLN 110 24.992 -23.163 0.706 939 1HB GLN 110 HB2 GLN 110 25.937 -21.083 1.263 940 2HB GLN 110 HB3 GLN 110 24.208 -20.935 1.593 941 1HG GLN 110 HG2 GLN 110 24.830 -21.481 4.070 942 2HG GLN 110 HG3 GLN 110 26.511 -21.246 3.575 943 1HE2 GLN 110 2HE2 GLN 110 23.318 -19.665 3.568 944 2HE2 GLN 110 1HE2 GLN 110 23.939 -18.012 3.703 945 H ALA 111 H ALA 111 25.020 -24.165 4.069 946 HA ALA 111 HA ALA 111 27.898 -24.192 4.371 947 1HB ALA 111 HB1 ALA 111 25.706 -25.480 6.039 948 2HB ALA 111 HB2 ALA 111 27.398 -25.235 6.524 949 3HB ALA 111 HB3 ALA 111 26.344 -23.834 6.245 950 H LEU 112 H LEU 112 27.942 -25.467 2.141 951 HA LEU 112 HA LEU 112 27.685 -28.350 2.283 952 1HB LEU 112 HB2 LEU 112 29.371 -26.498 0.542 953 2HB LEU 112 HB3 LEU 112 29.456 -28.250 0.421 954 HG LEU 112 HG LEU 112 28.083 -27.389 -1.322 955 1HD1 LEU 112 1HD1 LEU 112 27.514 -29.608 -0.307 956 2HD1 LEU 112 2HD1 LEU 112 26.245 -28.805 0.647 957 3HD1 LEU 112 3HD1 LEU 112 26.159 -28.804 -1.119 958 1HD2 LEU 112 1HD2 LEU 112 25.959 -26.265 -0.997 959 2HD2 LEU 112 2HD2 LEU 112 26.164 -26.297 0.759 960 3HD2 LEU 112 3HD2 LEU 112 27.261 -25.322 -0.251 Start of MODEL 14 1 1H GLY 1 H1 GLY 1 3.607 -3.569 -5.227 2 2H GLY 1 H2 GLY 1 3.656 -3.648 -6.878 3 3H GLY 1 H3 GLY 1 4.484 -2.468 -6.077 4 1HA GLY 1 HA2 GLY 1 2.426 -1.508 -5.278 5 2HA GLY 1 HA3 GLY 1 2.580 -1.496 -7.043 6 H VAL 2 H VAL 2 1.491 -3.832 -4.519 7 HA VAL 2 HA VAL 2 -0.719 -4.723 -6.283 8 HB VAL 2 HB VAL 2 -1.119 -6.426 -4.573 9 1HG1 VAL 2 1HG1 VAL 2 1.805 -6.290 -5.433 10 2HG1 VAL 2 2HG1 VAL 2 0.900 -7.744 -4.973 11 3HG1 VAL 2 3HG1 VAL 2 0.451 -6.853 -6.437 12 1HG2 VAL 2 1HG2 VAL 2 0.414 -6.785 -2.713 13 2HG2 VAL 2 2HG2 VAL 2 1.333 -5.331 -3.132 14 3HG2 VAL 2 3HG2 VAL 2 -0.338 -5.192 -2.549 15 H ARG 3 H ARG 3 -2.852 -4.842 -5.451 16 HA ARG 3 HA ARG 3 -4.530 -3.119 -5.186 17 1HB ARG 3 HB2 ARG 3 -4.151 -5.135 -2.997 18 2HB ARG 3 HB3 ARG 3 -5.619 -4.141 -3.052 19 1HG ARG 3 HG2 ARG 3 -4.653 -5.995 -5.273 20 2HG ARG 3 HG3 ARG 3 -5.802 -6.429 -4.016 21 1HD ARG 3 HD2 ARG 3 -6.183 -4.348 -6.207 22 2HD ARG 3 HD3 ARG 3 -7.058 -5.858 -6.017 23 HE ARG 3 HE ARG 3 -7.616 -3.328 -4.780 24 1HH1 ARG 3 1HH2 ARG 3 -7.858 -6.804 -4.159 25 2HH1 ARG 3 2HH2 ARG 3 -9.109 -6.639 -2.951 26 1HH2 ARG 3 1HH1 ARG 3 -9.327 -3.118 -3.296 27 2HH2 ARG 3 2HH1 ARG 3 -10.070 -4.541 -2.607 28 H LYS 4 H LYS 4 -4.089 -3.289 -1.688 29 HA LYS 4 HA LYS 4 -4.414 -0.362 -1.633 30 1HB LYS 4 HB2 LYS 4 -4.191 -2.415 0.559 31 2HB LYS 4 HB3 LYS 4 -4.495 -0.700 0.803 32 1HG LYS 4 HG2 LYS 4 -6.383 -2.325 -0.912 33 2HG LYS 4 HG3 LYS 4 -6.493 -2.231 0.862 34 1HD LYS 4 HD2 LYS 4 -6.437 0.333 0.572 35 2HD LYS 4 HD3 LYS 4 -6.786 0.035 -1.134 36 1HE LYS 4 HE2 LYS 4 -8.815 -1.226 -0.510 37 2HE LYS 4 HE3 LYS 4 -8.419 -1.044 1.205 38 1HZ LYS 4 HZ1 LYS 4 -10.047 0.511 0.540 39 2HZ LYS 4 HZ2 LYS 4 -8.673 1.302 0.981 40 3HZ LYS 4 HZ3 LYS 4 -9.063 1.155 -0.618 41 H GLY 5 H GLY 5 -1.618 -1.823 -2.354 42 1HA GLY 5 HA2 GLY 5 0.576 -1.281 -2.045 43 2HA GLY 5 HA3 GLY 5 0.110 0.086 -1.027 44 H TRP 6 H TRP 6 -0.862 -0.655 1.149 45 HA TRP 6 HA TRP 6 1.192 -1.800 2.656 46 1HB TRP 6 HB2 TRP 6 -0.270 -1.705 4.544 47 2HB TRP 6 HB3 TRP 6 -0.500 -0.278 3.551 48 HD1 TRP 6 HD1 TRP 6 -2.905 0.163 2.622 49 HE1 TRP 6 HE1 TRP 6 -5.216 -0.902 3.014 50 HE3 TRP 6 HE3 TRP 6 -1.453 -4.118 5.047 51 HZ2 TRP 6 HZ2 TRP 6 -6.256 -3.362 3.996 52 HZ3 TRP 6 HZ3 TRP 6 -3.168 -5.784 5.736 53 HH2 TRP 6 HH2 TRP 6 -5.544 -5.437 5.182 54 H HIS 7 H HIS 7 -1.632 -3.332 1.274 55 HA HIS 7 HA HIS 7 -1.715 -5.908 2.241 56 1HB HIS 7 HB2 HIS 7 -1.813 -4.895 -0.639 57 2HB HIS 7 HB3 HIS 7 -2.196 -6.555 -0.186 58 HD2 HIS 7 HD2 HIS 7 -3.856 -5.418 2.568 59 HE1 HIS 7 HE1 HIS 7 -6.704 -4.667 -0.482 60 HE2 HIS 7 HE2 HIS 7 -6.373 -4.911 2.018 61 H GLU 8 H GLU 8 0.851 -4.604 0.064 62 HA GLU 8 HA GLU 8 1.999 -6.940 -0.713 63 1HB GLU 8 HB2 GLU 8 2.438 -4.418 -1.261 64 2HB GLU 8 HB3 GLU 8 3.618 -4.487 0.056 65 1HG GLU 8 HG2 GLU 8 4.797 -6.284 -1.150 66 2HG GLU 8 HG3 GLU 8 3.450 -6.374 -2.311 67 H HIS 9 H HIS 9 2.246 -5.448 2.489 68 HA HIS 9 HA HIS 9 4.216 -7.566 3.282 69 1HB HIS 9 HB2 HIS 9 4.674 -6.112 5.278 70 2HB HIS 9 HB3 HIS 9 5.289 -5.640 3.708 71 HD2 HIS 9 HD2 HIS 9 4.309 -3.552 2.491 72 HE1 HIS 9 HE1 HIS 9 2.547 -1.830 5.968 73 HE2 HIS 9 HE2 HIS 9 3.314 -1.364 3.583 74 H VAL 10 H VAL 10 1.068 -7.580 3.079 75 HA VAL 10 HA VAL 10 0.787 -9.066 5.639 76 HB VAL 10 HB VAL 10 -1.358 -7.294 4.423 77 1HG1 VAL 10 1HG1 VAL 10 -1.342 -8.975 6.980 78 2HG1 VAL 10 2HG1 VAL 10 -2.680 -7.990 6.366 79 3HG1 VAL 10 3HG1 VAL 10 -2.190 -9.448 5.502 80 1HG2 VAL 10 1HG2 VAL 10 0.290 -7.090 6.981 81 2HG2 VAL 10 2HG2 VAL 10 0.307 -5.938 5.625 82 3HG2 VAL 10 3HG2 VAL 10 -1.126 -6.093 6.650 83 H THR 11 H THR 11 1.369 -10.925 4.629 84 HA THR 11 HA THR 11 0.218 -11.734 2.095 85 HB THR 11 HB THR 11 1.838 -13.694 2.616 86 HG1 THR 11 HG1 THR 11 3.316 -13.120 4.326 87 1HG2 THR 11 1HG2 THR 11 3.005 -10.874 2.620 88 2HG2 THR 11 2HG2 THR 11 3.823 -12.372 2.123 89 3HG2 THR 11 3HG2 THR 11 2.454 -11.758 1.181 90 H GLN 12 H GLN 12 -0.549 -13.890 1.795 91 HA GLN 12 HA GLN 12 -2.870 -14.554 2.980 92 1HB GLN 12 HB2 GLN 12 -1.764 -15.419 0.860 93 2HB GLN 12 HB3 GLN 12 -0.950 -16.623 1.860 94 1HG GLN 12 HG2 GLN 12 -3.969 -16.244 1.564 95 2HG GLN 12 HG3 GLN 12 -3.005 -17.446 0.696 96 1HE2 GLN 12 2HE2 GLN 12 -5.264 -17.576 2.886 97 2HE2 GLN 12 1HE2 GLN 12 -4.535 -18.580 4.135 98 H ASP 13 H ASP 13 0.329 -15.788 4.078 99 HA ASP 13 HA ASP 13 -0.774 -17.603 6.012 100 1HB ASP 13 HB2 ASP 13 1.535 -17.793 5.184 101 2HB ASP 13 HB3 ASP 13 1.954 -16.232 5.917 102 H LEU 14 H LEU 14 0.239 -14.159 6.265 103 HA LEU 14 HA LEU 14 -0.213 -14.036 9.125 104 1HB LEU 14 HB2 LEU 14 1.272 -12.447 8.122 105 2HB LEU 14 HB3 LEU 14 0.043 -11.906 6.978 106 HG LEU 14 HG LEU 14 -1.221 -10.817 8.672 107 1HD1 LEU 14 1HD1 LEU 14 -0.909 -12.411 10.605 108 2HD1 LEU 14 2HD1 LEU 14 0.738 -11.779 10.804 109 3HD1 LEU 14 3HD1 LEU 14 -0.660 -10.724 11.030 110 1HD2 LEU 14 1HD2 LEU 14 0.394 -9.124 9.401 111 2HD2 LEU 14 2HD2 LEU 14 1.738 -10.261 9.175 112 3HD2 LEU 14 3HD2 LEU 14 0.825 -9.676 7.778 113 H ARG 15 H ARG 15 -2.132 -13.269 6.178 114 HA ARG 15 HA ARG 15 -4.495 -12.407 7.490 115 1HB ARG 15 HB2 ARG 15 -4.263 -14.010 4.916 116 2HB ARG 15 HB3 ARG 15 -5.694 -13.151 5.485 117 1HG ARG 15 HG2 ARG 15 -4.418 -10.996 5.424 118 2HG ARG 15 HG3 ARG 15 -3.006 -11.850 4.813 119 1HD ARG 15 HD2 ARG 15 -4.093 -10.911 2.923 120 2HD ARG 15 HD3 ARG 15 -4.404 -12.652 2.859 121 HE ARG 15 HE ARG 15 -6.482 -11.347 4.328 122 1HH1 ARG 15 1HH2 ARG 15 -5.315 -11.443 1.005 123 2HH1 ARG 15 2HH2 ARG 15 -6.905 -11.363 0.295 124 1HH2 ARG 15 1HH1 ARG 15 -8.531 -11.392 3.464 125 2HH2 ARG 15 2HH1 ARG 15 -8.795 -11.245 1.738 126 H SER 16 H SER 16 -3.441 -15.730 6.652 127 HA SER 16 HA SER 16 -5.670 -17.135 7.667 128 1HB SER 16 HB2 SER 16 -2.765 -18.024 7.542 129 2HB SER 16 HB3 SER 16 -4.151 -19.076 7.762 130 HG SER 16 HG SER 16 -3.575 -17.434 5.525 131 H HIS 17 H HIS 17 -2.571 -16.258 9.329 132 HA HIS 17 HA HIS 17 -3.352 -17.464 11.786 133 1HB HIS 17 HB2 HIS 17 -1.024 -16.816 11.060 134 2HB HIS 17 HB3 HIS 17 -1.421 -15.138 11.433 135 HD2 HIS 17 HD2 HIS 17 -2.908 -17.425 14.071 136 HE1 HIS 17 HE1 HIS 17 0.986 -16.516 15.503 137 HE2 HIS 17 HE2 HIS 17 -1.271 -17.555 16.083 138 H LEU 18 H LEU 18 -3.857 -14.154 10.483 139 HA LEU 18 HA LEU 18 -5.049 -13.094 12.871 140 1HB LEU 18 HB2 LEU 18 -5.234 -12.352 9.941 141 2HB LEU 18 HB3 LEU 18 -6.111 -11.455 11.191 142 HG LEU 18 HG LEU 18 -3.091 -11.891 11.235 143 1HD1 LEU 18 1HD1 LEU 18 -3.744 -10.641 9.212 144 2HD1 LEU 18 2HD1 LEU 18 -4.688 -9.513 10.219 145 3HD1 LEU 18 3HD1 LEU 18 -2.920 -9.586 10.372 146 1HD2 LEU 18 1HD2 LEU 18 -4.928 -9.960 12.710 147 2HD2 LEU 18 2HD2 LEU 18 -3.984 -11.278 13.441 148 3HD2 LEU 18 3HD2 LEU 18 -3.156 -9.889 12.736 149 H VAL 19 H VAL 19 -6.559 -14.655 9.986 150 HA VAL 19 HA VAL 19 -9.222 -14.705 10.925 151 HB VAL 19 HB VAL 19 -7.631 -16.621 9.204 152 1HG1 VAL 19 1HG1 VAL 19 -9.422 -17.986 10.252 153 2HG1 VAL 19 2HG1 VAL 19 -10.614 -16.768 9.740 154 3HG1 VAL 19 3HG1 VAL 19 -9.709 -17.703 8.539 155 1HG2 VAL 19 1HG2 VAL 19 -8.173 -14.378 8.283 156 2HG2 VAL 19 2HG2 VAL 19 -8.997 -15.666 7.407 157 3HG2 VAL 19 3HG2 VAL 19 -9.894 -14.672 8.581 158 H HIS 20 H HIS 20 -6.567 -17.057 11.566 159 HA HIS 20 HA HIS 20 -8.006 -18.723 13.322 160 1HB HIS 20 HB2 HIS 20 -5.838 -19.325 12.461 161 2HB HIS 20 HB3 HIS 20 -5.072 -17.986 13.297 162 HD2 HIS 20 HD2 HIS 20 -5.672 -21.552 13.690 163 HE1 HIS 20 HE1 HIS 20 -4.576 -20.168 17.562 164 HE2 HIS 20 HE2 HIS 20 -4.916 -22.239 16.118 165 H LYS 21 H LYS 21 -6.072 -15.756 14.176 166 HA LYS 21 HA LYS 21 -6.752 -15.781 16.916 167 1HB LYS 21 HB2 LYS 21 -6.310 -13.387 15.095 168 2HB LYS 21 HB3 LYS 21 -6.460 -13.283 16.843 169 1HG LYS 21 HG2 LYS 21 -4.229 -14.743 15.381 170 2HG LYS 21 HG3 LYS 21 -4.171 -13.127 16.066 171 1HD LYS 21 HD2 LYS 21 -4.650 -14.044 18.339 172 2HD LYS 21 HD3 LYS 21 -4.628 -15.683 17.662 173 1HE LYS 21 HE2 LYS 21 -2.488 -15.208 18.701 174 2HE LYS 21 HE3 LYS 21 -2.276 -15.365 16.948 175 1HZ LYS 21 HZ1 LYS 21 -2.183 -12.996 16.789 176 2HZ LYS 21 HZ2 LYS 21 -2.474 -12.806 18.397 177 3HZ LYS 21 HZ3 LYS 21 -1.076 -13.513 17.891 178 H LEU 22 H LEU 22 -8.630 -14.385 14.155 179 HA LEU 22 HA LEU 22 -10.749 -13.328 15.749 180 1HB LEU 22 HB2 LEU 22 -11.028 -14.654 13.028 181 2HB LEU 22 HB3 LEU 22 -12.228 -13.664 13.833 182 HG LEU 22 HG LEU 22 -9.548 -12.693 12.788 183 1HD1 LEU 22 1HD1 LEU 22 -10.980 -11.480 11.166 184 2HD1 LEU 22 2HD1 LEU 22 -11.211 -13.232 11.040 185 3HD1 LEU 22 3HD1 LEU 22 -12.414 -12.241 11.888 186 1HD2 LEU 22 1HD2 LEU 22 -11.849 -11.205 14.148 187 2HD2 LEU 22 2HD2 LEU 22 -10.201 -11.430 14.774 188 3HD2 LEU 22 3HD2 LEU 22 -10.467 -10.428 13.348 189 H VAL 23 H VAL 23 -10.421 -16.615 14.302 190 HA VAL 23 HA VAL 23 -12.799 -17.642 15.418 191 HB VAL 23 HB VAL 23 -10.236 -19.161 14.847 192 1HG1 VAL 23 1HG1 VAL 23 -13.090 -20.144 15.338 193 2HG1 VAL 23 2HG1 VAL 23 -11.757 -21.150 14.741 194 3HG1 VAL 23 3HG1 VAL 23 -11.686 -20.468 16.367 195 1HG2 VAL 23 1HG2 VAL 23 -11.367 -19.794 12.756 196 2HG2 VAL 23 2HG2 VAL 23 -12.780 -18.809 13.192 197 3HG2 VAL 23 3HG2 VAL 23 -11.223 -18.040 12.839 198 H GLN 24 H GLN 24 -9.470 -17.736 16.853 199 HA GLN 24 HA GLN 24 -10.250 -19.003 19.262 200 1HB GLN 24 HB2 GLN 24 -8.046 -16.919 18.917 201 2HB GLN 24 HB3 GLN 24 -8.230 -18.035 20.272 202 1HG GLN 24 HG2 GLN 24 -7.504 -18.713 17.411 203 2HG GLN 24 HG3 GLN 24 -6.514 -18.874 18.851 204 1HE2 GLN 24 2HE2 GLN 24 -7.532 -20.915 16.760 205 2HE2 GLN 24 1HE2 GLN 24 -8.175 -22.187 17.816 206 H ALA 25 H ALA 25 -10.021 -15.493 18.576 207 HA ALA 25 HA ALA 25 -10.650 -14.658 21.207 208 1HB ALA 25 HB1 ALA 25 -10.994 -12.466 20.215 209 2HB ALA 25 HB2 ALA 25 -9.558 -13.232 19.512 210 3HB ALA 25 HB3 ALA 25 -11.074 -13.170 18.581 211 H ILE 26 H ILE 26 -12.767 -15.293 18.377 212 HA ILE 26 HA ILE 26 -15.209 -14.560 19.769 213 HB ILE 26 HB ILE 26 -14.697 -16.289 17.310 214 1HG1 ILE 26 2HG1 ILE 26 -15.634 -13.397 17.453 215 2HG1 ILE 26 3HG1 ILE 26 -13.949 -13.820 17.212 216 1HG2 ILE 26 1HG2 ILE 26 -16.911 -16.800 18.239 217 2HG2 ILE 26 2HG2 ILE 26 -17.273 -15.070 18.407 218 3HG2 ILE 26 3HG2 ILE 26 -17.125 -15.813 16.807 219 1HD1 ILE 26 1HD1 ILE 26 -14.561 -15.125 15.168 220 2HD1 ILE 26 2HD1 ILE 26 -16.216 -14.484 15.303 221 3HD1 ILE 26 3HD1 ILE 26 -14.859 -13.379 15.060 222 H PHE 27 H PHE 27 -13.344 -17.549 19.268 223 HA PHE 27 HA PHE 27 -14.978 -19.084 21.194 224 1HB PHE 27 HB2 PHE 27 -16.017 -19.042 18.895 225 2HB PHE 27 HB3 PHE 27 -14.585 -19.830 18.272 226 HD1 PHE 27 HD1 PHE 27 -13.988 -22.191 19.274 227 HD2 PHE 27 HD2 PHE 27 -17.842 -20.270 19.612 228 HE1 PHE 27 HE1 PHE 27 -15.066 -24.383 19.440 229 HE2 PHE 27 HE2 PHE 27 -18.925 -22.475 19.706 230 HZ PHE 27 HZ PHE 27 -17.543 -24.558 19.704 231 HA PRO 28 HA PRO 28 -10.457 -20.157 21.270 232 1HB PRO 28 HB2 PRO 28 -10.309 -21.242 23.768 233 2HB PRO 28 HB3 PRO 28 -10.308 -19.484 23.449 234 1HG PRO 28 HG2 PRO 28 -12.678 -21.204 24.221 235 2HG PRO 28 HG3 PRO 28 -12.174 -19.649 24.947 236 1HD PRO 28 HD2 PRO 28 -14.110 -19.780 23.067 237 2HD PRO 28 HD3 PRO 28 -12.935 -18.429 23.034 238 H THR 29 H THR 29 -9.881 -21.994 20.094 239 HA THR 29 HA THR 29 -11.852 -24.041 19.732 240 HB THR 29 HB THR 29 -10.109 -25.006 18.232 241 HG1 THR 29 HG1 THR 29 -8.389 -24.024 19.609 242 1HG2 THR 29 1HG2 THR 29 -11.719 -23.322 17.426 243 2HG2 THR 29 2HG2 THR 29 -10.626 -22.014 17.913 244 3HG2 THR 29 3HG2 THR 29 -10.146 -23.142 16.626 245 HA PRO 30 HA PRO 30 -10.351 -26.702 23.127 246 1HB PRO 30 HB2 PRO 30 -11.926 -28.692 21.488 247 2HB PRO 30 HB3 PRO 30 -11.857 -28.515 23.264 248 1HG PRO 30 HG2 PRO 30 -13.968 -27.490 21.916 249 2HG PRO 30 HG3 PRO 30 -13.166 -26.496 23.169 250 1HD PRO 30 HD2 PRO 30 -12.774 -26.364 20.168 251 2HD PRO 30 HD3 PRO 30 -13.034 -25.043 21.344 252 H ASP 31 H ASP 31 -10.278 -27.684 19.645 253 HA ASP 31 HA ASP 31 -7.491 -28.466 19.895 254 1HB ASP 31 HB2 ASP 31 -8.828 -30.505 20.643 255 2HB ASP 31 HB3 ASP 31 -9.560 -30.547 19.041 256 HA PRO 32 HA PRO 32 -7.787 -26.845 15.645 257 1HB PRO 32 HB2 PRO 32 -5.720 -29.038 15.250 258 2HB PRO 32 HB3 PRO 32 -5.762 -27.410 14.509 259 1HG PRO 32 HG2 PRO 32 -4.204 -27.831 16.679 260 2HG PRO 32 HG3 PRO 32 -5.248 -26.379 16.630 261 1HD PRO 32 HD2 PRO 32 -5.724 -28.973 18.096 262 2HD PRO 32 HD3 PRO 32 -6.012 -27.293 18.635 263 H ALA 33 H ALA 33 -7.686 -30.424 16.175 264 HA ALA 33 HA ALA 33 -8.829 -31.247 13.754 265 1HB ALA 33 HB1 ALA 33 -7.853 -32.764 15.454 266 2HB ALA 33 HB2 ALA 33 -9.240 -32.452 16.523 267 3HB ALA 33 HB3 ALA 33 -9.482 -33.275 14.969 268 H ALA 34 H ALA 34 -10.392 -29.762 16.556 269 HA ALA 34 HA ALA 34 -13.065 -30.597 16.116 270 1HB ALA 34 HB1 ALA 34 -13.679 -28.794 17.586 271 2HB ALA 34 HB2 ALA 34 -12.154 -29.482 18.191 272 3HB ALA 34 HB3 ALA 34 -12.155 -27.942 17.294 273 H LEU 35 H LEU 35 -11.067 -28.260 14.395 274 HA LEU 35 HA LEU 35 -13.078 -26.611 13.295 275 1HB LEU 35 HB2 LEU 35 -10.443 -27.502 12.100 276 2HB LEU 35 HB3 LEU 35 -11.421 -26.157 11.512 277 HG LEU 35 HG LEU 35 -10.222 -26.264 14.326 278 1HD1 LEU 35 1HD1 LEU 35 -9.270 -24.771 11.849 279 2HD1 LEU 35 2HD1 LEU 35 -8.574 -24.659 13.481 280 3HD1 LEU 35 3HD1 LEU 35 -8.471 -26.181 12.578 281 1HD2 LEU 35 1HD2 LEU 35 -10.695 -23.846 14.336 282 2HD2 LEU 35 2HD2 LEU 35 -11.560 -24.011 12.797 283 3HD2 LEU 35 3HD2 LEU 35 -12.169 -24.814 14.261 284 H LYS 36 H LYS 36 -12.468 -30.003 12.657 285 HA LYS 36 HA LYS 36 -13.546 -30.160 10.045 286 1HB LYS 36 HB2 LYS 36 -13.858 -32.492 10.523 287 2HB LYS 36 HB3 LYS 36 -12.344 -31.954 11.260 288 1HG LYS 36 HG2 LYS 36 -13.660 -31.704 13.465 289 2HG LYS 36 HG3 LYS 36 -14.990 -32.509 12.636 290 1HD LYS 36 HD2 LYS 36 -13.556 -34.489 12.211 291 2HD LYS 36 HD3 LYS 36 -12.173 -33.646 12.929 292 1HE LYS 36 HE2 LYS 36 -13.094 -35.209 14.551 293 2HE LYS 36 HE3 LYS 36 -13.328 -33.547 15.116 294 1HZ LYS 36 HZ1 LYS 36 -15.362 -35.216 13.801 295 2HZ LYS 36 HZ2 LYS 36 -15.275 -34.895 15.414 296 3HZ LYS 36 HZ3 LYS 36 -15.591 -33.679 14.350 297 H ASP 37 H ASP 37 -15.171 -29.539 13.138 298 HA ASP 37 HA ASP 37 -17.698 -30.680 12.391 299 1HB ASP 37 HB2 ASP 37 -16.994 -30.273 14.726 300 2HB ASP 37 HB3 ASP 37 -17.061 -28.529 14.444 301 H ARG 38 H ARG 38 -19.427 -29.810 11.301 302 HA ARG 38 HA ARG 38 -19.253 -27.798 9.459 303 1HB ARG 38 HB2 ARG 38 -21.540 -29.137 10.888 304 2HB ARG 38 HB3 ARG 38 -21.889 -27.659 10.000 305 1HG ARG 38 HG2 ARG 38 -22.331 -29.495 8.581 306 2HG ARG 38 HG3 ARG 38 -20.994 -28.557 7.938 307 1HD ARG 38 HD2 ARG 38 -20.749 -31.194 9.482 308 2HD ARG 38 HD3 ARG 38 -20.762 -31.078 7.727 309 HE ARG 38 HE ARG 38 -18.513 -30.696 9.442 310 1HH1 ARG 38 2HH2 ARG 38 -19.876 -29.481 6.410 311 2HH1 ARG 38 1HH2 ARG 38 -18.378 -28.750 5.889 312 1HH2 ARG 38 1HH1 ARG 38 -16.562 -29.947 8.702 313 2HH2 ARG 38 2HH1 ARG 38 -16.416 -29.154 7.145 314 H ARG 39 H ARG 39 -20.337 -27.311 12.856 315 HA ARG 39 HA ARG 39 -21.103 -24.572 12.505 316 1HB ARG 39 HB2 ARG 39 -21.810 -25.898 14.423 317 2HB ARG 39 HB3 ARG 39 -20.136 -26.108 14.946 318 1HG ARG 39 HG2 ARG 39 -21.310 -24.515 16.321 319 2HG ARG 39 HG3 ARG 39 -19.935 -23.753 15.528 320 1HD ARG 39 HD2 ARG 39 -22.765 -23.537 14.401 321 2HD ARG 39 HD3 ARG 39 -22.170 -22.473 15.692 322 HE ARG 39 HE ARG 39 -20.280 -22.488 13.560 323 1HH1 ARG 39 2HH2 ARG 39 -23.498 -21.240 14.307 324 2HH1 ARG 39 1HH2 ARG 39 -23.306 -19.794 13.353 325 1HH2 ARG 39 1HH1 ARG 39 -19.993 -20.632 12.367 326 2HH2 ARG 39 2HH1 ARG 39 -21.264 -19.445 12.201 327 H MET 40 H MET 40 -17.969 -26.165 13.345 328 HA MET 40 HA MET 40 -16.615 -23.650 13.778 329 1HB MET 40 HB2 MET 40 -15.544 -26.450 13.200 330 2HB MET 40 HB3 MET 40 -14.586 -25.019 13.578 331 1HG MET 40 HG2 MET 40 -16.578 -26.399 15.398 332 2HG MET 40 HG3 MET 40 -14.818 -26.326 15.558 333 1HE MET 40 HE1 MET 40 -14.264 -22.585 16.622 334 2HE MET 40 HE2 MET 40 -13.496 -24.123 16.159 335 3HE MET 40 HE3 MET 40 -14.326 -23.129 14.934 336 H GLU 41 H GLU 41 -16.838 -25.952 11.008 337 HA GLU 41 HA GLU 41 -15.233 -24.507 9.241 338 1HB GLU 41 HB2 GLU 41 -16.184 -26.758 8.822 339 2HB GLU 41 HB3 GLU 41 -17.783 -26.037 8.553 340 1HG GLU 41 HG2 GLU 41 -16.920 -24.787 6.607 341 2HG GLU 41 HG3 GLU 41 -15.284 -25.388 6.924 342 H ASN 42 H ASN 42 -18.680 -24.020 9.975 343 HA ASN 42 HA ASN 42 -19.077 -21.805 8.173 344 1HB ASN 42 HB2 ASN 42 -20.563 -22.774 10.633 345 2HB ASN 42 HB3 ASN 42 -20.940 -21.219 9.888 346 1HD2 ASN 42 2HD2 ASN 42 -20.666 -24.718 9.085 347 2HD2 ASN 42 1HD2 ASN 42 -21.846 -24.632 7.778 348 H LEU 43 H LEU 43 -18.033 -21.915 11.626 349 HA LEU 43 HA LEU 43 -17.992 -19.064 11.907 350 1HB LEU 43 HB2 LEU 43 -18.058 -20.575 13.829 351 2HB LEU 43 HB3 LEU 43 -16.468 -21.222 13.409 352 HG LEU 43 HG LEU 43 -15.414 -19.039 13.845 353 1HD1 LEU 43 1HD1 LEU 43 -17.245 -17.472 13.291 354 2HD1 LEU 43 2HD1 LEU 43 -18.219 -18.124 14.634 355 3HD1 LEU 43 3HD1 LEU 43 -16.714 -17.239 14.955 356 1HD2 LEU 43 1HD2 LEU 43 -15.739 -18.995 16.263 357 2HD2 LEU 43 2HD2 LEU 43 -17.240 -19.937 16.109 358 3HD2 LEU 43 3HD2 LEU 43 -15.680 -20.673 15.682 359 H VAL 44 H VAL 44 -15.510 -21.420 10.967 360 HA VAL 44 HA VAL 44 -13.276 -19.715 10.611 361 HB VAL 44 HB VAL 44 -14.162 -22.300 9.304 362 1HG1 VAL 44 1HG1 VAL 44 -11.803 -22.552 8.529 363 2HG1 VAL 44 2HG1 VAL 44 -12.650 -21.242 7.702 364 3HG1 VAL 44 3HG1 VAL 44 -11.492 -20.868 9.001 365 1HG2 VAL 44 1HG2 VAL 44 -13.533 -22.320 11.788 366 2HG2 VAL 44 2HG2 VAL 44 -12.594 -23.380 10.735 367 3HG2 VAL 44 3HG2 VAL 44 -11.909 -21.834 11.288 368 H ALA 45 H ALA 45 -15.835 -20.784 8.285 369 HA ALA 45 HA ALA 45 -14.997 -19.217 6.109 370 1HB ALA 45 HB1 ALA 45 -17.856 -19.959 6.851 371 2HB ALA 45 HB2 ALA 45 -17.268 -19.455 5.258 372 3HB ALA 45 HB3 ALA 45 -16.710 -20.985 5.962 373 H TYR 46 H TYR 46 -17.323 -18.331 8.736 374 HA TYR 46 HA TYR 46 -17.819 -15.684 7.869 375 1HB TYR 46 HB2 TYR 46 -19.082 -16.769 9.691 376 2HB TYR 46 HB3 TYR 46 -17.662 -16.757 10.729 377 HD1 TYR 46 HD1 TYR 46 -16.965 -14.753 11.903 378 HD2 TYR 46 HD2 TYR 46 -20.095 -14.557 8.946 379 HE1 TYR 46 HE1 TYR 46 -17.348 -12.368 12.461 380 HE2 TYR 46 HE2 TYR 46 -20.499 -12.190 9.527 381 HH TYR 46 HH TYR 46 -19.852 -10.413 10.816 382 H ALA 47 H ALA 47 -15.236 -16.886 10.067 383 HA ALA 47 HA ALA 47 -14.046 -14.372 10.561 384 1HB ALA 47 HB1 ALA 47 -13.580 -16.341 11.907 385 2HB ALA 47 HB2 ALA 47 -12.800 -17.148 10.534 386 3HB ALA 47 HB3 ALA 47 -12.071 -15.690 11.242 387 H LYS 48 H LYS 48 -13.317 -16.782 7.986 388 HA LYS 48 HA LYS 48 -11.244 -15.320 6.686 389 1HB LYS 48 HB2 LYS 48 -13.302 -17.296 5.623 390 2HB LYS 48 HB3 LYS 48 -12.017 -16.588 4.633 391 1HG LYS 48 HG2 LYS 48 -10.299 -17.498 6.123 392 2HG LYS 48 HG3 LYS 48 -11.548 -18.213 7.164 393 1HD LYS 48 HD2 LYS 48 -12.323 -19.642 5.340 394 2HD LYS 48 HD3 LYS 48 -11.203 -18.864 4.201 395 1HE LYS 48 HE2 LYS 48 -9.266 -19.689 5.479 396 2HE LYS 48 HE3 LYS 48 -10.340 -20.416 6.688 397 1HZ LYS 48 HZ1 LYS 48 -9.564 -22.008 5.099 398 2HZ LYS 48 HZ2 LYS 48 -11.199 -21.842 4.983 399 3HZ LYS 48 HZ3 LYS 48 -10.218 -21.158 3.849 400 H LYS 49 H LYS 49 -14.778 -15.350 6.053 401 HA LYS 49 HA LYS 49 -14.823 -13.437 3.987 402 1HB LYS 49 HB2 LYS 49 -16.837 -14.218 6.110 403 2HB LYS 49 HB3 LYS 49 -17.205 -13.027 4.867 404 1HG LYS 49 HG2 LYS 49 -16.838 -14.647 3.102 405 2HG LYS 49 HG3 LYS 49 -16.185 -15.827 4.230 406 1HD LYS 49 HD2 LYS 49 -18.476 -16.418 3.621 407 2HD LYS 49 HD3 LYS 49 -18.331 -16.065 5.342 408 1HE LYS 49 HE2 LYS 49 -20.402 -15.119 4.371 409 2HE LYS 49 HE3 LYS 49 -19.364 -13.851 5.027 410 1HZ LYS 49 HZ1 LYS 49 -18.608 -13.406 2.803 411 2HZ LYS 49 HZ2 LYS 49 -19.551 -14.613 2.192 412 3HZ LYS 49 HZ3 LYS 49 -20.249 -13.289 2.881 413 H VAL 50 H VAL 50 -15.203 -12.884 7.536 414 HA VAL 50 HA VAL 50 -15.453 -10.091 7.191 415 HB VAL 50 HB VAL 50 -15.984 -11.798 9.234 416 1HG1 VAL 50 1HG1 VAL 50 -14.762 -11.178 11.216 417 2HG1 VAL 50 2HG1 VAL 50 -13.661 -11.907 10.032 418 3HG1 VAL 50 3HG1 VAL 50 -13.662 -10.142 10.289 419 1HG2 VAL 50 1HG2 VAL 50 -16.652 -9.841 10.484 420 2HG2 VAL 50 2HG2 VAL 50 -15.676 -8.792 9.425 421 3HG2 VAL 50 3HG2 VAL 50 -17.077 -9.681 8.775 422 H GLU 51 H GLU 51 -12.513 -12.085 7.992 423 HA GLU 51 HA GLU 51 -10.727 -9.921 8.138 424 1HB GLU 51 HB2 GLU 51 -10.187 -12.233 8.724 425 2HB GLU 51 HB3 GLU 51 -10.231 -12.700 7.021 426 1HG GLU 51 HG2 GLU 51 -8.401 -10.510 8.132 427 2HG GLU 51 HG3 GLU 51 -7.912 -12.197 8.083 428 H GLY 52 H GLY 52 -11.920 -11.715 5.263 429 1HA GLY 52 HA2 GLY 52 -10.556 -10.331 3.235 430 2HA GLY 52 HA3 GLY 52 -12.189 -11.009 3.098 431 H ASP 53 H ASP 53 -13.767 -9.566 4.652 432 HA ASP 53 HA ASP 53 -14.276 -7.192 3.281 433 1HB ASP 53 HB2 ASP 53 -15.912 -8.361 4.732 434 2HB ASP 53 HB3 ASP 53 -15.022 -7.811 6.163 435 H MET 54 H MET 54 -12.552 -7.567 6.427 436 HA MET 54 HA MET 54 -11.970 -4.785 6.716 437 1HB MET 54 HB2 MET 54 -10.458 -7.186 7.811 438 2HB MET 54 HB3 MET 54 -10.236 -5.508 8.294 439 1HG MET 54 HG2 MET 54 -12.588 -7.321 8.818 440 2HG MET 54 HG3 MET 54 -11.650 -6.349 9.938 441 1HE MET 54 HE1 MET 54 -15.110 -4.930 10.585 442 2HE MET 54 HE2 MET 54 -14.651 -6.624 10.253 443 3HE MET 54 HE3 MET 54 -13.593 -5.589 11.255 444 H TYR 55 H TYR 55 -10.052 -7.424 5.230 445 HA TYR 55 HA TYR 55 -7.737 -5.948 4.646 446 1HB TYR 55 HB2 TYR 55 -8.136 -8.458 4.481 447 2HB TYR 55 HB3 TYR 55 -8.893 -8.173 2.924 448 HD1 TYR 55 HD1 TYR 55 -7.496 -7.950 0.945 449 HD2 TYR 55 HD2 TYR 55 -5.730 -7.922 4.874 450 HE1 TYR 55 HE1 TYR 55 -5.260 -8.386 -0.041 451 HE2 TYR 55 HE2 TYR 55 -3.507 -8.309 3.884 452 HH TYR 55 HH TYR 55 -2.335 -8.916 1.973 453 H GLU 56 H GLU 56 -10.735 -6.370 2.729 454 HA GLU 56 HA GLU 56 -9.943 -4.700 0.534 455 1HB GLU 56 HB2 GLU 56 -12.643 -5.559 1.640 456 2HB GLU 56 HB3 GLU 56 -12.434 -4.706 0.115 457 1HG GLU 56 HG2 GLU 56 -11.162 -7.402 0.750 458 2HG GLU 56 HG3 GLU 56 -12.665 -7.186 -0.135 459 H SER 57 H SER 57 -11.832 -4.030 3.518 460 HA SER 57 HA SER 57 -12.537 -1.375 2.745 461 1HB SER 57 HB2 SER 57 -12.408 -2.633 5.526 462 2HB SER 57 HB3 SER 57 -13.240 -1.129 5.095 463 HG SER 57 HG SER 57 -13.807 -3.754 4.175 464 H ALA 58 H ALA 58 -9.845 -2.627 4.712 465 HA ALA 58 HA ALA 58 -9.189 -0.200 5.941 466 1HB ALA 58 HB1 ALA 58 -8.582 -2.205 6.940 467 2HB ALA 58 HB2 ALA 58 -7.650 -2.751 5.541 468 3HB ALA 58 HB3 ALA 58 -7.063 -1.384 6.514 469 H ASN 59 H ASN 59 -8.594 1.581 4.993 470 HA ASN 59 HA ASN 59 -7.078 2.006 2.664 471 1HB ASN 59 HB2 ASN 59 -6.620 4.261 3.648 472 2HB ASN 59 HB3 ASN 59 -8.322 3.798 3.624 473 1HD2 ASN 59 2HD2 ASN 59 -9.453 4.093 5.524 474 2HD2 ASN 59 1HD2 ASN 59 -8.727 4.157 7.120 475 H SER 60 H SER 60 -5.903 1.121 5.908 476 HA SER 60 HA SER 60 -3.099 1.140 4.927 477 1HB SER 60 HB2 SER 60 -2.410 2.313 7.001 478 2HB SER 60 HB3 SER 60 -3.424 3.333 5.968 479 HG SER 60 HG SER 60 -5.101 3.077 7.307 480 H ARG 61 H ARG 61 -1.685 -0.069 6.369 481 HA ARG 61 HA ARG 61 -2.699 -2.490 7.437 482 1HB ARG 61 HB2 ARG 61 -0.379 -2.096 6.766 483 2HB ARG 61 HB3 ARG 61 -0.135 -0.971 8.112 484 1HG ARG 61 HG2 ARG 61 -0.361 -2.752 9.734 485 2HG ARG 61 HG3 ARG 61 -0.982 -3.873 8.500 486 1HD ARG 61 HD2 ARG 61 1.121 -3.743 7.293 487 2HD ARG 61 HD3 ARG 61 1.821 -2.694 8.545 488 HE ARG 61 HE ARG 61 1.206 -4.686 10.122 489 1HH1 ARG 61 2HH1 ARG 61 2.714 -4.956 6.884 490 2HH1 ARG 61 1HH1 ARG 61 2.928 -6.676 7.020 491 1HH2 ARG 61 1HH2 ARG 61 1.844 -6.765 10.407 492 2HH2 ARG 61 2HH2 ARG 61 2.597 -7.708 9.122 493 H ASP 62 H ASP 62 -1.850 0.625 8.964 494 HA ASP 62 HA ASP 62 -2.477 0.127 11.627 495 1HB ASP 62 HB2 ASP 62 -3.080 2.676 10.084 496 2HB ASP 62 HB3 ASP 62 -2.875 2.520 11.832 497 H GLU 63 H GLU 63 -4.727 1.392 9.091 498 HA GLU 63 HA GLU 63 -7.074 1.292 10.633 499 1HB GLU 63 HB2 GLU 63 -6.797 2.374 8.395 500 2HB GLU 63 HB3 GLU 63 -6.810 0.764 7.650 501 1HG GLU 63 HG2 GLU 63 -8.987 1.653 7.383 502 2HG GLU 63 HG3 GLU 63 -9.139 0.452 8.660 503 H TYR 64 H TYR 64 -5.686 -1.227 8.471 504 HA TYR 64 HA TYR 64 -7.636 -3.209 8.741 505 1HB TYR 64 HB2 TYR 64 -5.903 -3.361 7.114 506 2HB TYR 64 HB3 TYR 64 -4.651 -3.340 8.328 507 HD1 TYR 64 HD1 TYR 64 -3.667 -5.321 9.025 508 HD2 TYR 64 HD2 TYR 64 -7.600 -5.413 7.255 509 HE1 TYR 64 HE1 TYR 64 -3.465 -7.761 8.702 510 HE2 TYR 64 HE2 TYR 64 -7.386 -7.854 6.909 511 HH TYR 64 HH TYR 64 -5.925 -9.658 6.943 512 H TYR 65 H TYR 65 -4.705 -2.793 10.799 513 HA TYR 65 HA TYR 65 -5.465 -4.899 12.606 514 1HB TYR 65 HB2 TYR 65 -3.527 -2.592 12.719 515 2HB TYR 65 HB3 TYR 65 -3.968 -3.412 14.213 516 HD1 TYR 65 HD1 TYR 65 -3.603 -5.792 14.556 517 HD2 TYR 65 HD2 TYR 65 -2.214 -3.854 10.983 518 HE1 TYR 65 HE1 TYR 65 -2.288 -7.821 13.972 519 HE2 TYR 65 HE2 TYR 65 -1.030 -5.916 10.316 520 HH TYR 65 HH TYR 65 -0.676 -8.121 10.809 521 H HIS 66 H HIS 66 -6.060 -1.349 12.712 522 HA HIS 66 HA HIS 66 -7.355 -1.321 15.195 523 1HB HIS 66 HB2 HIS 66 -6.704 0.728 14.113 524 2HB HIS 66 HB3 HIS 66 -7.844 0.450 12.790 525 HD2 HIS 66 HD2 HIS 66 -10.116 1.658 13.063 526 HE1 HIS 66 HE1 HIS 66 -10.389 1.738 17.311 527 HE2 HIS 66 HE2 HIS 66 -11.547 2.388 15.137 528 H LEU 67 H LEU 67 -9.082 -1.478 11.973 529 HA LEU 67 HA LEU 67 -11.524 -1.886 13.406 530 1HB LEU 67 HB2 LEU 67 -12.598 -2.423 11.216 531 2HB LEU 67 HB3 LEU 67 -12.012 -0.800 11.551 532 HG LEU 67 HG LEU 67 -10.164 -1.022 10.077 533 1HD1 LEU 67 1HD1 LEU 67 -11.035 -3.922 9.856 534 2HD1 LEU 67 2HD1 LEU 67 -9.973 -3.152 8.655 535 3HD1 LEU 67 3HD1 LEU 67 -9.470 -3.279 10.348 536 1HD2 LEU 67 1HD2 LEU 67 -11.302 -1.282 7.940 537 2HD2 LEU 67 2HD2 LEU 67 -12.646 -2.136 8.728 538 3HD2 LEU 67 3HD2 LEU 67 -12.344 -0.421 9.088 539 H LEU 68 H LEU 68 -9.189 -4.287 12.230 540 HA LEU 68 HA LEU 68 -11.014 -6.492 12.689 541 1HB LEU 68 HB2 LEU 68 -7.988 -6.275 12.603 542 2HB LEU 68 HB3 LEU 68 -8.770 -7.767 13.123 543 HG LEU 68 HG LEU 68 -9.388 -6.461 10.455 544 1HD1 LEU 68 1HD1 LEU 68 -7.992 -8.297 9.504 545 2HD1 LEU 68 2HD1 LEU 68 -7.041 -7.113 10.438 546 3HD1 LEU 68 3HD1 LEU 68 -7.438 -8.701 11.137 547 1HD2 LEU 68 1HD2 LEU 68 -9.784 -9.334 11.436 548 2HD2 LEU 68 2HD2 LEU 68 -11.107 -8.160 11.376 549 3HD2 LEU 68 3HD2 LEU 68 -10.308 -8.657 9.890 550 H ALA 69 H ALA 69 -8.479 -5.002 14.783 551 HA ALA 69 HA ALA 69 -9.062 -6.601 17.066 552 1HB ALA 69 HB1 ALA 69 -7.930 -4.815 18.328 553 2HB ALA 69 HB2 ALA 69 -7.038 -5.235 16.850 554 3HB ALA 69 HB3 ALA 69 -8.009 -3.743 16.909 555 H GLU 70 H GLU 70 -10.464 -3.466 15.992 556 HA GLU 70 HA GLU 70 -12.191 -3.111 18.179 557 1HB GLU 70 HB2 GLU 70 -11.583 -1.398 16.456 558 2HB GLU 70 HB3 GLU 70 -12.610 -2.262 15.293 559 1HG GLU 70 HG2 GLU 70 -13.781 -0.358 16.187 560 2HG GLU 70 HG3 GLU 70 -14.595 -1.830 16.727 561 H LYS 71 H LYS 71 -12.764 -4.820 15.020 562 HA LYS 71 HA LYS 71 -15.441 -5.532 15.438 563 1HB LYS 71 HB2 LYS 71 -14.399 -5.801 13.356 564 2HB LYS 71 HB3 LYS 71 -13.195 -6.926 13.977 565 1HG LYS 71 HG2 LYS 71 -14.896 -7.999 12.615 566 2HG LYS 71 HG3 LYS 71 -14.845 -8.663 14.250 567 1HD LYS 71 HD2 LYS 71 -16.864 -7.633 14.877 568 2HD LYS 71 HD3 LYS 71 -16.839 -6.498 13.509 569 1HE LYS 71 HE2 LYS 71 -17.341 -8.221 11.931 570 2HE LYS 71 HE3 LYS 71 -17.014 -9.514 13.100 571 1HZ LYS 71 HZ1 LYS 71 -18.924 -8.772 14.338 572 2HZ LYS 71 HZ2 LYS 71 -19.251 -7.623 13.199 573 3HZ LYS 71 HZ3 LYS 71 -19.309 -9.226 12.801 574 H ILE 72 H ILE 72 -12.462 -7.334 16.373 575 HA ILE 72 HA ILE 72 -13.706 -9.460 17.794 576 HB ILE 72 HB ILE 72 -11.056 -8.046 18.277 577 1HG1 ILE 72 2HG1 ILE 72 -11.625 -10.673 16.872 578 2HG1 ILE 72 3HG1 ILE 72 -11.260 -9.127 16.072 579 1HG2 ILE 72 1HG2 ILE 72 -10.439 -10.108 19.557 580 2HG2 ILE 72 2HG2 ILE 72 -11.642 -9.093 20.322 581 3HG2 ILE 72 3HG2 ILE 72 -12.163 -10.584 19.513 582 1HD1 ILE 72 1HD1 ILE 72 -9.391 -10.826 17.710 583 2HD1 ILE 72 2HD1 ILE 72 -9.182 -10.091 16.112 584 3HD1 ILE 72 3HD1 ILE 72 -9.130 -9.069 17.547 585 H TYR 73 H TYR 73 -12.476 -6.353 19.013 586 HA TYR 73 HA TYR 73 -13.063 -6.504 21.714 587 1HB TYR 73 HB2 TYR 73 -11.810 -4.807 20.318 588 2HB TYR 73 HB3 TYR 73 -13.345 -4.018 20.034 589 HD1 TYR 73 HD1 TYR 73 -10.449 -3.474 21.566 590 HD2 TYR 73 HD2 TYR 73 -14.586 -3.977 22.789 591 HE1 TYR 73 HE1 TYR 73 -10.252 -1.565 23.026 592 HE2 TYR 73 HE2 TYR 73 -14.301 -2.125 24.376 593 HH TYR 73 HH TYR 73 -11.384 -0.048 24.387 594 H LYS 74 H LYS 74 -15.155 -5.171 19.139 595 HA LYS 74 HA LYS 74 -17.439 -4.712 20.749 596 1HB LYS 74 HB2 LYS 74 -17.202 -5.320 17.776 597 2HB LYS 74 HB3 LYS 74 -18.719 -4.929 18.603 598 1HG LYS 74 HG2 LYS 74 -17.697 -2.779 19.423 599 2HG LYS 74 HG3 LYS 74 -16.238 -3.155 18.510 600 1HD LYS 74 HD2 LYS 74 -17.533 -1.623 17.213 601 2HD LYS 74 HD3 LYS 74 -17.615 -3.194 16.398 602 1HE LYS 74 HE2 LYS 74 -19.887 -3.574 17.319 603 2HE LYS 74 HE3 LYS 74 -19.760 -2.108 18.301 604 1HZ LYS 74 HZ1 LYS 74 -21.019 -1.748 16.324 605 2HZ LYS 74 HZ2 LYS 74 -19.640 -0.849 16.268 606 3HZ LYS 74 HZ3 LYS 74 -19.766 -2.223 15.365 607 H ILE 75 H ILE 75 -16.685 -7.656 18.746 608 HA ILE 75 HA ILE 75 -19.007 -9.143 19.506 609 HB ILE 75 HB ILE 75 -16.175 -10.140 18.923 610 1HG1 ILE 75 2HG1 ILE 75 -18.679 -10.068 17.150 611 2HG1 ILE 75 3HG1 ILE 75 -17.443 -8.815 17.101 612 1HG2 ILE 75 1HG2 ILE 75 -17.356 -12.324 18.467 613 2HG2 ILE 75 2HG2 ILE 75 -17.441 -11.859 20.155 614 3HG2 ILE 75 3HG2 ILE 75 -18.848 -11.616 19.099 615 1HD1 ILE 75 1HD1 ILE 75 -17.051 -11.733 16.357 616 2HD1 ILE 75 2HD1 ILE 75 -17.001 -10.317 15.310 617 3HD1 ILE 75 3HD1 ILE 75 -15.727 -10.551 16.520 618 H GLN 76 H GLN 76 -15.790 -9.199 21.125 619 HA GLN 76 HA GLN 76 -16.604 -10.841 23.284 620 1HB GLN 76 HB2 GLN 76 -14.482 -8.752 22.850 621 2HB GLN 76 HB3 GLN 76 -14.718 -9.348 24.486 622 1HG GLN 76 HG2 GLN 76 -14.186 -11.167 22.079 623 2HG GLN 76 HG3 GLN 76 -12.963 -10.614 23.221 624 1HE2 GLN 76 2HE2 GLN 76 -13.905 -13.470 22.736 625 2HE2 GLN 76 1HE2 GLN 76 -14.389 -13.980 24.336 626 H LYS 77 H LYS 77 -16.457 -7.258 23.231 627 HA LYS 77 HA LYS 77 -17.385 -6.842 25.815 628 1HB LYS 77 HB2 LYS 77 -16.282 -5.211 24.213 629 2HB LYS 77 HB3 LYS 77 -17.814 -5.083 23.380 630 1HG LYS 77 HG2 LYS 77 -17.798 -3.195 24.663 631 2HG LYS 77 HG3 LYS 77 -18.790 -4.270 25.628 632 1HD LYS 77 HD2 LYS 77 -15.838 -3.596 26.086 633 2HD LYS 77 HD3 LYS 77 -17.216 -2.897 26.940 634 1HE LYS 77 HE2 LYS 77 -17.780 -5.313 27.694 635 2HE LYS 77 HE3 LYS 77 -16.123 -5.715 27.170 636 1HZ LYS 77 HZ1 LYS 77 -15.300 -4.082 28.676 637 2HZ LYS 77 HZ2 LYS 77 -16.826 -3.668 29.141 638 3HZ LYS 77 HZ3 LYS 77 -16.237 -5.168 29.477 639 H GLU 78 H GLU 78 -19.228 -6.836 22.812 640 HA GLU 78 HA GLU 78 -21.810 -6.362 23.982 641 1HB GLU 78 HB2 GLU 78 -20.991 -7.711 21.375 642 2HB GLU 78 HB3 GLU 78 -22.664 -7.338 21.815 643 1HG GLU 78 HG2 GLU 78 -20.470 -5.249 21.506 644 2HG GLU 78 HG3 GLU 78 -21.714 -5.632 20.319 645 H LEU 79 H LEU 79 -20.203 -9.395 22.973 646 HA LEU 79 HA LEU 79 -22.456 -11.010 23.545 647 1HB LEU 79 HB2 LEU 79 -20.659 -11.331 21.869 648 2HB LEU 79 HB3 LEU 79 -19.549 -11.784 23.178 649 HG LEU 79 HG LEU 79 -20.872 -13.810 23.579 650 1HD1 LEU 79 1HD1 LEU 79 -22.696 -14.412 21.937 651 2HD1 LEU 79 2HD1 LEU 79 -23.152 -13.053 22.971 652 3HD1 LEU 79 3HD1 LEU 79 -22.630 -12.762 21.297 653 1HD2 LEU 79 1HD2 LEU 79 -20.151 -13.200 20.661 654 2HD2 LEU 79 2HD2 LEU 79 -19.054 -13.795 21.915 655 3HD2 LEU 79 3HD2 LEU 79 -20.359 -14.843 21.324 656 H GLU 80 H GLU 80 -19.432 -10.420 25.406 657 HA GLU 80 HA GLU 80 -19.753 -12.421 27.313 658 1HB GLU 80 HB2 GLU 80 -18.112 -11.252 28.597 659 2HB GLU 80 HB3 GLU 80 -17.727 -11.147 26.882 660 1HG GLU 80 HG2 GLU 80 -17.358 -8.946 27.374 661 2HG GLU 80 HG3 GLU 80 -19.079 -8.827 27.079 662 H GLU 81 H GLU 81 -21.262 -9.203 27.239 663 HA GLU 81 HA GLU 81 -22.335 -9.082 29.840 664 1HB GLU 81 HB2 GLU 81 -23.547 -8.220 27.190 665 2HB GLU 81 HB3 GLU 81 -24.176 -7.762 28.780 666 1HG GLU 81 HG2 GLU 81 -22.059 -6.647 29.343 667 2HG GLU 81 HG3 GLU 81 -21.367 -7.114 27.788 668 H LYS 82 H LYS 82 -23.429 -10.927 26.972 669 HA LYS 82 HA LYS 82 -25.915 -11.768 28.222 670 1HB LYS 82 HB2 LYS 82 -24.499 -12.874 25.779 671 2HB LYS 82 HB3 LYS 82 -26.186 -13.136 26.192 672 1HG LYS 82 HG2 LYS 82 -25.176 -10.297 25.694 673 2HG LYS 82 HG3 LYS 82 -25.444 -11.399 24.360 674 1HD LYS 82 HD2 LYS 82 -27.385 -10.051 24.605 675 2HD LYS 82 HD3 LYS 82 -27.797 -11.715 25.021 676 1HE LYS 82 HE2 LYS 82 -28.843 -10.040 26.523 677 2HE LYS 82 HE3 LYS 82 -27.807 -11.163 27.399 678 1HZ LYS 82 HZ1 LYS 82 -27.496 -8.889 28.086 679 2HZ LYS 82 HZ2 LYS 82 -26.109 -9.477 27.421 680 3HZ LYS 82 HZ3 LYS 82 -27.062 -8.443 26.560 681 H ARG 83 H ARG 83 -22.647 -12.760 28.553 682 HA ARG 83 HA ARG 83 -23.359 -15.483 29.479 683 1HB ARG 83 HB2 ARG 83 -20.697 -14.037 29.638 684 2HB ARG 83 HB3 ARG 83 -21.024 -15.734 29.966 685 1HG ARG 83 HG2 ARG 83 -21.335 -14.358 27.254 686 2HG ARG 83 HG3 ARG 83 -19.984 -15.372 27.755 687 1HD ARG 83 HD2 ARG 83 -21.493 -17.308 28.045 688 2HD ARG 83 HD3 ARG 83 -22.875 -16.356 27.504 689 HE ARG 83 HE ARG 83 -20.797 -17.553 25.888 690 1HH1 ARG 83 1HH2 ARG 83 -23.078 -14.864 26.009 691 2HH1 ARG 83 2HH2 ARG 83 -23.262 -14.743 24.282 692 1HH2 ARG 83 1HH1 ARG 83 -20.954 -17.367 23.627 693 2HH2 ARG 83 2HH1 ARG 83 -21.996 -16.180 22.897 694 H ARG 84 H ARG 84 -22.051 -12.384 30.755 695 HA ARG 84 HA ARG 84 -22.075 -13.310 33.450 696 1HB ARG 84 HB2 ARG 84 -21.970 -10.468 32.379 697 2HB ARG 84 HB3 ARG 84 -21.673 -10.954 34.056 698 1HG ARG 84 HG2 ARG 84 -19.816 -12.432 33.236 699 2HG ARG 84 HG3 ARG 84 -20.022 -11.734 31.619 700 1HD ARG 84 HD2 ARG 84 -19.349 -10.181 34.172 701 2HD ARG 84 HD3 ARG 84 -18.216 -10.638 32.907 702 HE ARG 84 HE ARG 84 -19.063 -9.104 31.424 703 1HH1 ARG 84 2HH1 ARG 84 -20.862 -8.878 34.477 704 2HH1 ARG 84 1HH1 ARG 84 -21.658 -7.394 34.040 705 1HH2 ARG 84 2HH2 ARG 84 -20.177 -7.261 30.820 706 2HH2 ARG 84 1HH2 ARG 84 -21.255 -6.444 31.928 707 H SER 85 H SER 85 -24.521 -11.446 31.671 708 HA SER 85 HA SER 85 -25.839 -10.519 34.038 709 1HB SER 85 HB2 SER 85 -26.940 -10.617 31.213 710 2HB SER 85 HB3 SER 85 -27.490 -9.586 32.546 711 HG SER 85 HG SER 85 -24.987 -9.534 31.218 712 H ARG 86 H ARG 86 -25.755 -13.304 34.435 713 HA ARG 86 HA ARG 86 -28.525 -14.314 34.041 714 1HB ARG 86 HB2 ARG 86 -25.972 -15.484 35.166 715 2HB ARG 86 HB3 ARG 86 -27.551 -16.275 35.382 716 1HG ARG 86 HG2 ARG 86 -27.951 -16.416 33.040 717 2HG ARG 86 HG3 ARG 86 -26.600 -15.343 32.662 718 1HD ARG 86 HD2 ARG 86 -24.975 -17.050 33.225 719 2HD ARG 86 HD3 ARG 86 -26.225 -18.063 33.967 720 HE ARG 86 HE ARG 86 -26.695 -18.950 31.938 721 1HH1 ARG 86 1HH2 ARG 86 -25.047 -15.873 31.315 722 2HH1 ARG 86 2HH2 ARG 86 -25.608 -15.730 29.674 723 1HH2 ARG 86 2HH1 ARG 86 -27.223 -18.915 29.714 724 2HH2 ARG 86 1HH1 ARG 86 -26.685 -17.599 28.702 725 H LEU 87 H LEU 87 -29.175 -12.250 35.098 726 HA LEU 87 HA LEU 87 -29.628 -12.722 37.990 727 1HB LEU 87 HB2 LEU 87 -27.602 -11.283 37.781 728 2HB LEU 87 HB3 LEU 87 -28.513 -10.166 36.760 729 HG LEU 87 HG LEU 87 -30.045 -9.692 38.699 730 1HD1 LEU 87 1HD1 LEU 87 -29.771 -11.748 40.031 731 2HD1 LEU 87 2HD1 LEU 87 -29.248 -10.351 40.977 732 3HD1 LEU 87 3HD1 LEU 87 -28.036 -11.412 40.232 733 1HD2 LEU 87 1HD2 LEU 87 -27.071 -9.248 39.185 734 2HD2 LEU 87 2HD2 LEU 87 -28.128 -8.244 38.170 735 3HD2 LEU 87 3HD2 LEU 87 -28.397 -8.321 39.920 736 1H LYS 88 H1 LYS 88 -14.451 -8.287 33.162 737 2H LYS 88 H2 LYS 88 -13.133 -7.984 32.227 738 3H LYS 88 H3 LYS 88 -13.253 -7.313 33.728 739 HA LYS 88 HA LYS 88 -15.048 -6.788 31.478 740 1HB LYS 88 HB2 LYS 88 -14.873 -5.419 34.183 741 2HB LYS 88 HB3 LYS 88 -15.903 -4.922 32.820 742 1HG LYS 88 HG2 LYS 88 -16.889 -7.303 32.889 743 2HG LYS 88 HG3 LYS 88 -16.094 -7.483 34.458 744 1HD LYS 88 HD2 LYS 88 -18.225 -5.421 33.695 745 2HD LYS 88 HD3 LYS 88 -18.438 -6.866 34.678 746 1HE LYS 88 HE2 LYS 88 -18.302 -5.205 36.295 747 2HE LYS 88 HE3 LYS 88 -16.652 -5.842 36.282 748 1HZ LYS 88 HZ1 LYS 88 -16.074 -3.967 34.855 749 2HZ LYS 88 HZ2 LYS 88 -17.623 -3.418 34.919 750 3HZ LYS 88 HZ3 LYS 88 -16.708 -3.463 36.286 751 H GLU 89 H GLU 89 -12.429 -5.408 33.468 752 HA GLU 89 HA GLU 89 -12.033 -3.240 31.528 753 1HB GLU 89 HB2 GLU 89 -12.157 -2.821 33.932 754 2HB GLU 89 HB3 GLU 89 -10.696 -3.761 34.220 755 1HG GLU 89 HG2 GLU 89 -9.427 -2.184 32.717 756 2HG GLU 89 HG3 GLU 89 -10.910 -1.246 32.495 757 H LYS 90 H LYS 90 -9.648 -5.249 33.256 758 HA LYS 90 HA LYS 90 -7.516 -4.659 31.602 759 1HB LYS 90 HB2 LYS 90 -7.885 -7.340 32.997 760 2HB LYS 90 HB3 LYS 90 -6.368 -6.563 32.541 761 1HG LYS 90 HG2 LYS 90 -8.296 -5.730 34.749 762 2HG LYS 90 HG3 LYS 90 -6.639 -6.307 34.888 763 1HD LYS 90 HD2 LYS 90 -5.851 -4.232 33.683 764 2HD LYS 90 HD3 LYS 90 -7.523 -3.630 33.712 765 1HE LYS 90 HE2 LYS 90 -7.502 -3.860 36.229 766 2HE LYS 90 HE3 LYS 90 -5.776 -4.267 36.127 767 1HZ LYS 90 HZ1 LYS 90 -5.452 -2.121 35.058 768 2HZ LYS 90 HZ2 LYS 90 -7.057 -1.773 35.253 769 3HZ LYS 90 HZ3 LYS 90 -6.089 -1.970 36.571 770 H ARG 91 H ARG 91 -9.930 -7.137 31.158 771 HA ARG 91 HA ARG 91 -8.949 -8.752 29.142 772 1HB ARG 91 HB2 ARG 91 -11.203 -9.165 28.454 773 2HB ARG 91 HB3 ARG 91 -11.065 -9.104 30.205 774 1HG ARG 91 HG2 ARG 91 -12.881 -7.827 30.111 775 2HG ARG 91 HG3 ARG 91 -11.775 -6.513 29.758 776 1HD ARG 91 HD2 ARG 91 -13.700 -6.466 28.237 777 2HD ARG 91 HD3 ARG 91 -12.261 -6.768 27.303 778 HE ARG 91 HE ARG 91 -13.069 -8.845 26.709 779 1HH1 ARG 91 1HH1 ARG 91 -14.880 -7.670 29.483 780 2HH1 ARG 91 2HH1 ARG 91 -16.002 -9.007 29.531 781 1HH2 ARG 91 1HH2 ARG 91 -14.575 -10.643 26.706 782 2HH2 ARG 91 2HH2 ARG 91 -15.768 -10.721 27.962 783 H ILE 92 H ILE 92 -10.158 -5.416 28.838 784 HA ILE 92 HA ILE 92 -10.517 -5.278 26.050 785 HB ILE 92 HB ILE 92 -9.599 -3.186 28.075 786 1HG1 ILE 92 2HG1 ILE 92 -11.859 -4.318 28.529 787 2HG1 ILE 92 3HG1 ILE 92 -11.840 -2.566 28.407 788 1HG2 ILE 92 1HG2 ILE 92 -10.565 -2.919 25.244 789 2HG2 ILE 92 2HG2 ILE 92 -10.605 -1.557 26.402 790 3HG2 ILE 92 3HG2 ILE 92 -9.063 -2.292 25.941 791 1HD1 ILE 92 1HD1 ILE 92 -12.634 -4.375 26.087 792 2HD1 ILE 92 2HD1 ILE 92 -13.758 -3.712 27.286 793 3HD1 ILE 92 3HD1 ILE 92 -12.842 -2.611 26.257 794 H LYS 93 H LYS 93 -7.590 -4.604 28.032 795 HA LYS 93 HA LYS 93 -6.180 -3.677 25.683 796 1HB LYS 93 HB2 LYS 93 -5.217 -4.318 28.491 797 2HB LYS 93 HB3 LYS 93 -4.202 -3.553 27.264 798 1HG LYS 93 HG2 LYS 93 -6.875 -2.293 27.977 799 2HG LYS 93 HG3 LYS 93 -5.513 -2.145 29.080 800 1HD LYS 93 HD2 LYS 93 -5.635 -0.195 27.726 801 2HD LYS 93 HD3 LYS 93 -4.142 -1.050 27.350 802 1HE LYS 93 HE2 LYS 93 -6.630 -1.473 25.642 803 2HE LYS 93 HE3 LYS 93 -5.677 -0.007 25.444 804 1HZ LYS 93 HZ1 LYS 93 -4.518 -2.682 25.214 805 2HZ LYS 93 HZ2 LYS 93 -5.001 -1.737 23.954 806 3HZ LYS 93 HZ3 LYS 93 -3.774 -1.242 24.935 807 H GLU 94 H GLU 94 -5.974 -6.613 27.714 808 HA GLU 94 HA GLU 94 -3.965 -7.873 26.128 809 1HB GLU 94 HB2 GLU 94 -4.667 -9.978 27.147 810 2HB GLU 94 HB3 GLU 94 -4.439 -8.680 28.328 811 1HG GLU 94 HG2 GLU 94 -6.911 -8.313 28.333 812 2HG GLU 94 HG3 GLU 94 -7.110 -9.733 27.290 813 H LEU 95 H LEU 95 -7.533 -7.773 25.757 814 HA LEU 95 HA LEU 95 -7.705 -9.598 23.612 815 1HB LEU 95 HB2 LEU 95 -9.608 -8.790 24.925 816 2HB LEU 95 HB3 LEU 95 -9.414 -7.158 24.256 817 HG LEU 95 HG LEU 95 -10.017 -8.032 22.003 818 1HD1 LEU 95 1HD1 LEU 95 -10.315 -10.659 23.569 819 2HD1 LEU 95 2HD1 LEU 95 -11.065 -10.392 21.995 820 3HD1 LEU 95 3HD1 LEU 95 -9.303 -10.382 22.133 821 1HD2 LEU 95 1HD2 LEU 95 -11.940 -8.715 24.265 822 2HD2 LEU 95 2HD2 LEU 95 -11.683 -7.108 23.554 823 3HD2 LEU 95 3HD2 LEU 95 -12.347 -8.418 22.558 824 H GLU 96 H GLU 96 -7.383 -5.976 23.533 825 HA GLU 96 HA GLU 96 -7.197 -5.732 20.717 826 1HB GLU 96 HB2 GLU 96 -5.899 -4.083 22.916 827 2HB GLU 96 HB3 GLU 96 -5.850 -3.693 21.185 828 1HG GLU 96 HG2 GLU 96 -8.257 -3.626 21.034 829 2HG GLU 96 HG3 GLU 96 -8.402 -3.935 22.777 830 H LEU 97 H LEU 97 -4.591 -6.087 23.156 831 HA LEU 97 HA LEU 97 -2.408 -6.123 21.394 832 1HB LEU 97 HB2 LEU 97 -2.783 -7.313 24.149 833 2HB LEU 97 HB3 LEU 97 -1.228 -7.322 23.320 834 HG LEU 97 HG LEU 97 -2.768 -4.743 23.845 835 1HD1 LEU 97 1HD1 LEU 97 -2.254 -5.849 25.991 836 2HD1 LEU 97 2HD1 LEU 97 -0.556 -6.033 25.499 837 3HD1 LEU 97 3HD1 LEU 97 -1.242 -4.415 25.757 838 1HD2 LEU 97 1HD2 LEU 97 -0.501 -3.731 23.552 839 2HD2 LEU 97 2HD2 LEU 97 0.140 -5.326 23.113 840 3HD2 LEU 97 3HD2 LEU 97 -1.062 -4.524 22.080 841 H LEU 98 H LEU 98 -4.355 -8.894 22.567 842 HA LEU 98 HA LEU 98 -2.813 -10.997 21.653 843 1HB LEU 98 HB2 LEU 98 -4.808 -11.345 22.968 844 2HB LEU 98 HB3 LEU 98 -5.830 -10.640 21.712 845 HG LEU 98 HG LEU 98 -5.357 -12.541 20.208 846 1HD1 LEU 98 1HD1 LEU 98 -3.800 -13.660 22.587 847 2HD1 LEU 98 2HD1 LEU 98 -4.257 -14.575 21.136 848 3HD1 LEU 98 3HD1 LEU 98 -3.120 -13.229 21.002 849 1HD2 LEU 98 1HD2 LEU 98 -6.337 -13.344 22.974 850 2HD2 LEU 98 2HD2 LEU 98 -7.307 -12.570 21.702 851 3HD2 LEU 98 3HD2 LEU 98 -6.665 -14.202 21.453 852 H LEU 99 H LEU 99 -5.285 -9.176 19.774 853 HA LEU 99 HA LEU 99 -4.714 -10.616 17.336 854 1HB LEU 99 HB2 LEU 99 -6.851 -9.467 17.903 855 2HB LEU 99 HB3 LEU 99 -6.087 -7.904 17.677 856 HG LEU 99 HG LEU 99 -7.430 -8.545 15.775 857 1HD1 LEU 99 1HD1 LEU 99 -5.989 -8.085 13.969 858 2HD1 LEU 99 2HD1 LEU 99 -5.329 -7.222 15.372 859 3HD1 LEU 99 3HD1 LEU 99 -4.577 -8.736 14.797 860 1HD2 LEU 99 1HD2 LEU 99 -7.042 -10.448 14.375 861 2HD2 LEU 99 2HD2 LEU 99 -5.560 -10.887 15.243 862 3HD2 LEU 99 3HD2 LEU 99 -7.132 -11.048 16.042 863 H MET 100 H MET 100 -3.859 -7.322 18.541 864 HA MET 100 HA MET 100 -2.416 -6.480 16.301 865 1HB MET 100 HB2 MET 100 -2.065 -5.789 19.223 866 2HB MET 100 HB3 MET 100 -1.246 -4.931 17.912 867 1HG MET 100 HG2 MET 100 -3.322 -4.209 16.945 868 2HG MET 100 HG3 MET 100 -4.274 -5.224 18.027 869 1HE MET 100 HE1 MET 100 -4.974 -2.210 17.499 870 2HE MET 100 HE2 MET 100 -5.881 -3.266 18.611 871 3HE MET 100 HE3 MET 100 -5.331 -1.666 19.155 872 H SER 101 H SER 101 -1.243 -8.552 18.932 873 HA SER 101 HA SER 101 1.508 -8.317 18.233 874 1HB SER 101 HB2 SER 101 0.124 -10.535 19.783 875 2HB SER 101 HB3 SER 101 1.865 -10.185 19.748 876 HG SER 101 HG SER 101 -0.191 -8.485 20.706 877 H THR 102 H THR 102 -0.950 -10.097 16.510 878 HA THR 102 HA THR 102 0.380 -12.444 15.874 879 HB THR 102 HB THR 102 -1.227 -10.839 13.844 880 HG1 THR 102 HG1 THR 102 -2.469 -10.931 15.655 881 1HG2 THR 102 1HG2 THR 102 -0.957 -13.828 14.366 882 2HG2 THR 102 2HG2 THR 102 -1.940 -13.080 13.097 883 3HG2 THR 102 3HG2 THR 102 -0.169 -12.979 13.018 884 H GLU 103 H GLU 103 0.753 -9.300 14.183 885 HA GLU 103 HA GLU 103 2.727 -10.197 12.329 886 1HB GLU 103 HB2 GLU 103 3.216 -7.839 11.978 887 2HB GLU 103 HB3 GLU 103 1.484 -8.198 11.987 888 1HG GLU 103 HG2 GLU 103 1.441 -7.368 14.412 889 2HG GLU 103 HG3 GLU 103 3.100 -6.804 14.168 890 H ASN 104 H ASN 104 3.006 -8.902 15.643 891 HA ASN 104 HA ASN 104 5.861 -8.654 15.692 892 1HB ASN 104 HB2 ASN 104 4.579 -7.609 17.429 893 2HB ASN 104 HB3 ASN 104 3.858 -9.136 17.938 894 1HD2 ASN 104 2HD2 ASN 104 5.085 -10.684 19.169 895 2HD2 ASN 104 1HD2 ASN 104 6.604 -10.181 19.894 896 H GLU 105 H GLU 105 3.663 -11.381 16.496 897 HA GLU 105 HA GLU 105 5.717 -13.249 17.166 898 1HB GLU 105 HB2 GLU 105 2.877 -13.569 16.150 899 2HB GLU 105 HB3 GLU 105 3.967 -14.949 16.278 900 1HG GLU 105 HG2 GLU 105 2.698 -14.860 18.289 901 2HG GLU 105 HG3 GLU 105 4.367 -14.447 18.680 902 H LEU 106 H LEU 106 4.042 -12.769 13.989 903 HA LEU 106 HA LEU 106 5.686 -14.654 12.649 904 1HB LEU 106 HB2 LEU 106 3.790 -12.503 11.796 905 2HB LEU 106 HB3 LEU 106 4.987 -13.013 10.603 906 HG LEU 106 HG LEU 106 4.345 -15.367 10.853 907 1HD1 LEU 106 1HD1 LEU 106 2.279 -15.975 12.048 908 2HD1 LEU 106 2HD1 LEU 106 3.491 -15.377 13.183 909 3HD1 LEU 106 3HD1 LEU 106 2.145 -14.324 12.694 910 1HD2 LEU 106 1HD2 LEU 106 2.138 -15.189 9.754 911 2HD2 LEU 106 2HD2 LEU 106 2.019 -13.502 10.273 912 3HD2 LEU 106 3HD2 LEU 106 3.280 -13.988 9.119 913 H LYS 107 H LYS 107 6.337 -11.196 13.197 914 HA LYS 107 HA LYS 107 8.545 -11.148 11.308 915 1HB LYS 107 HB2 LYS 107 7.521 -9.173 13.368 916 2HB LYS 107 HB3 LYS 107 8.888 -8.849 12.288 917 1HG LYS 107 HG2 LYS 107 7.542 -9.099 10.311 918 2HG LYS 107 HG3 LYS 107 6.139 -9.641 11.246 919 1HD LYS 107 HD2 LYS 107 5.979 -7.468 12.363 920 2HD LYS 107 HD3 LYS 107 7.438 -6.893 11.531 921 1HE LYS 107 HE2 LYS 107 6.327 -7.082 9.346 922 2HE LYS 107 HE3 LYS 107 4.891 -7.792 10.101 923 1HZ LYS 107 HZ1 LYS 107 5.902 -5.076 10.572 924 2HZ LYS 107 HZ2 LYS 107 4.598 -5.482 9.650 925 3HZ LYS 107 HZ3 LYS 107 4.565 -5.737 11.274 926 H GLY 108 H GLY 108 9.217 -13.232 12.660 927 1HA GLY 108 HA2 GLY 108 11.498 -13.807 13.047 928 2HA GLY 108 HA3 GLY 108 11.742 -12.346 14.002 929 H GLN 109 H GLN 109 9.399 -12.618 15.669 930 HA GLN 109 HA GLN 109 10.716 -13.971 17.781 931 1HB GLN 109 HB2 GLN 109 7.940 -12.807 17.469 932 2HB GLN 109 HB3 GLN 109 8.437 -13.614 18.958 933 1HG GLN 109 HG2 GLN 109 8.730 -11.140 19.060 934 2HG GLN 109 HG3 GLN 109 10.212 -12.055 19.358 935 1HE2 GLN 109 2HE2 GLN 109 8.441 -10.623 16.524 936 2HE2 GLN 109 1HE2 GLN 109 9.901 -10.115 15.697 937 H GLN 110 H GLN 110 8.013 -15.052 15.711 938 HA GLN 110 HA GLN 110 7.666 -17.555 17.114 939 1HB GLN 110 HB2 GLN 110 5.869 -16.555 15.809 940 2HB GLN 110 HB3 GLN 110 6.823 -16.677 14.324 941 1HG GLN 110 HG2 GLN 110 5.095 -18.434 14.518 942 2HG GLN 110 HG3 GLN 110 6.703 -19.133 14.397 943 1HE2 GLN 110 2HE2 GLN 110 7.546 -20.383 16.216 944 2HE2 GLN 110 1HE2 GLN 110 6.518 -20.702 17.594 945 H ALA 111 H ALA 111 9.972 -18.031 17.296 946 HA ALA 111 HA ALA 111 11.619 -18.920 15.200 947 1HB ALA 111 HB1 ALA 111 12.639 -20.427 16.878 948 2HB ALA 111 HB2 ALA 111 12.330 -18.818 17.563 949 3HB ALA 111 HB3 ALA 111 11.250 -20.176 17.957 950 H LEU 112 H LEU 112 11.878 -20.938 14.139 951 HA LEU 112 HA LEU 112 9.351 -22.323 13.614 952 1HB LEU 112 HB2 LEU 112 12.127 -22.818 12.476 953 2HB LEU 112 HB3 LEU 112 10.591 -23.418 11.837 954 HG LEU 112 HG LEU 112 11.495 -20.498 11.947 955 1HD1 LEU 112 1HD1 LEU 112 11.542 -20.681 9.505 956 2HD1 LEU 112 2HD1 LEU 112 12.622 -21.880 10.238 957 3HD1 LEU 112 3HD1 LEU 112 11.042 -22.383 9.599 958 1HD2 LEU 112 1HD2 LEU 112 9.443 -20.053 10.584 959 2HD2 LEU 112 2HD2 LEU 112 8.894 -21.711 10.908 960 3HD2 LEU 112 3HD2 LEU 112 9.067 -20.539 12.237 Start of MODEL 15 1 1H GLY 1 H1 GLY 1 -1.726 -4.505 -1.717 2 2H GLY 1 H2 GLY 1 -2.547 -3.081 -1.857 3 3H GLY 1 H3 GLY 1 -1.474 -3.529 -3.024 4 1HA GLY 1 HA2 GLY 1 -0.829 -2.868 -0.236 5 2HA GLY 1 HA3 GLY 1 0.349 -3.371 -1.459 6 H VAL 2 H VAL 2 0.658 -1.962 -3.348 7 HA VAL 2 HA VAL 2 0.837 0.785 -2.613 8 HB VAL 2 HB VAL 2 1.533 1.121 -5.002 9 1HG1 VAL 2 1HG1 VAL 2 3.108 0.734 -3.144 10 2HG1 VAL 2 2HG1 VAL 2 2.991 -1.019 -3.400 11 3HG1 VAL 2 3HG1 VAL 2 3.693 0.022 -4.655 12 1HG2 VAL 2 1HG2 VAL 2 1.426 -1.929 -5.191 13 2HG2 VAL 2 2HG2 VAL 2 0.385 -0.816 -6.100 14 3HG2 VAL 2 3HG2 VAL 2 2.127 -0.806 -6.360 15 H ARG 3 H ARG 3 -0.987 1.919 -2.223 16 HA ARG 3 HA ARG 3 -3.453 1.518 -3.673 17 1HB ARG 3 HB2 ARG 3 -2.575 3.920 -2.017 18 2HB ARG 3 HB3 ARG 3 -4.225 3.522 -2.504 19 1HG ARG 3 HG2 ARG 3 -2.467 1.982 -0.550 20 2HG ARG 3 HG3 ARG 3 -3.914 2.931 -0.203 21 1HD ARG 3 HD2 ARG 3 -5.165 1.283 -1.741 22 2HD ARG 3 HD3 ARG 3 -3.733 0.249 -1.641 23 HE ARG 3 HE ARG 3 -5.771 0.747 0.364 24 1HH1 ARG 3 1HH2 ARG 3 -2.354 -0.250 0.006 25 2HH1 ARG 3 2HH2 ARG 3 -2.307 -0.984 1.581 26 1HH2 ARG 3 1HH1 ARG 3 -5.666 -0.240 2.388 27 2HH2 ARG 3 2HH1 ARG 3 -4.202 -1.009 2.936 28 H LYS 4 H LYS 4 -0.653 3.570 -4.153 29 HA LYS 4 HA LYS 4 -1.722 4.576 -6.738 30 1HB LYS 4 HB2 LYS 4 -0.182 6.195 -4.687 31 2HB LYS 4 HB3 LYS 4 -0.663 6.722 -6.305 32 1HG LYS 4 HG2 LYS 4 -2.639 6.027 -4.076 33 2HG LYS 4 HG3 LYS 4 -2.052 7.648 -4.449 34 1HD LYS 4 HD2 LYS 4 -2.923 7.369 -6.807 35 2HD LYS 4 HD3 LYS 4 -3.601 5.809 -6.334 36 1HE LYS 4 HE2 LYS 4 -5.314 7.551 -6.270 37 2HE LYS 4 HE3 LYS 4 -5.025 6.896 -4.653 38 1HZ LYS 4 HZ1 LYS 4 -5.201 9.331 -4.841 39 2HZ LYS 4 HZ2 LYS 4 -3.843 8.824 -4.075 40 3HZ LYS 4 HZ3 LYS 4 -3.750 9.363 -5.625 41 H GLY 5 H GLY 5 0.055 4.818 -8.283 42 1HA GLY 5 HA2 GLY 5 2.166 3.010 -8.183 43 2HA GLY 5 HA3 GLY 5 2.180 4.501 -9.139 44 H TRP 6 H TRP 6 2.255 6.457 -7.329 45 HA TRP 6 HA TRP 6 4.965 6.566 -6.531 46 1HB TRP 6 HB2 TRP 6 4.402 8.731 -5.589 47 2HB TRP 6 HB3 TRP 6 3.695 8.514 -7.176 48 HD1 TRP 6 HD1 TRP 6 1.042 8.486 -7.352 49 HE1 TRP 6 HE1 TRP 6 -0.815 9.334 -5.775 50 HE3 TRP 6 HE3 TRP 6 3.767 9.000 -3.044 51 HZ2 TRP 6 HZ2 TRP 6 -1.127 9.881 -2.999 52 HZ3 TRP 6 HZ3 TRP 6 2.660 9.823 -0.972 53 HH2 TRP 6 HH2 TRP 6 0.220 10.235 -0.938 54 H HIS 7 H HIS 7 2.305 5.116 -4.838 55 HA HIS 7 HA HIS 7 3.121 5.542 -2.151 56 1HB HIS 7 HB2 HIS 7 0.901 4.572 -3.082 57 2HB HIS 7 HB3 HIS 7 1.785 3.055 -3.306 58 HD2 HIS 7 HD2 HIS 7 2.827 4.490 -0.021 59 HE1 HIS 7 HE1 HIS 7 -0.596 2.125 0.849 60 HE2 HIS 7 HE2 HIS 7 1.364 3.390 1.845 61 H GLU 8 H GLU 8 4.308 3.330 -4.653 62 HA GLU 8 HA GLU 8 5.836 1.513 -3.398 63 1HB GLU 8 HB2 GLU 8 5.489 1.927 -5.824 64 2HB GLU 8 HB3 GLU 8 6.498 3.378 -5.713 65 1HG GLU 8 HG2 GLU 8 8.395 1.959 -5.003 66 2HG GLU 8 HG3 GLU 8 7.317 0.546 -5.098 67 H HIS 9 H HIS 9 6.409 5.025 -3.513 68 HA HIS 9 HA HIS 9 9.087 4.669 -2.260 69 1HB HIS 9 HB2 HIS 9 7.824 6.742 -4.069 70 2HB HIS 9 HB3 HIS 9 9.273 7.091 -3.155 71 HD2 HIS 9 HD2 HIS 9 8.043 5.101 -6.122 72 HE1 HIS 9 HE1 HIS 9 12.009 3.711 -5.503 73 HE2 HIS 9 HE2 HIS 9 9.956 3.577 -7.023 74 H VAL 10 H VAL 10 6.088 5.099 -0.996 75 HA VAL 10 HA VAL 10 7.061 7.124 0.992 76 HB VAL 10 HB VAL 10 4.298 6.913 -0.246 77 1HG1 VAL 10 1HG1 VAL 10 4.150 7.516 2.162 78 2HG1 VAL 10 2HG1 VAL 10 5.347 8.802 1.909 79 3HG1 VAL 10 3HG1 VAL 10 3.762 8.893 1.125 80 1HG2 VAL 10 1HG2 VAL 10 4.900 9.293 -0.946 81 2HG2 VAL 10 2HG2 VAL 10 6.552 8.974 -0.414 82 3HG2 VAL 10 3HG2 VAL 10 5.850 8.038 -1.750 83 H THR 11 H THR 11 7.414 6.133 2.880 84 HA THR 11 HA THR 11 6.242 3.552 3.428 85 HB THR 11 HB THR 11 7.624 3.732 5.509 86 HG1 THR 11 HG1 THR 11 9.082 5.644 5.423 87 1HG2 THR 11 1HG2 THR 11 9.125 4.479 2.967 88 2HG2 THR 11 2HG2 THR 11 9.779 3.656 4.402 89 3HG2 THR 11 3HG2 THR 11 8.545 2.855 3.410 90 H GLN 12 H GLN 12 5.300 2.998 5.482 91 HA GLN 12 HA GLN 12 3.095 4.642 6.270 92 1HB GLN 12 HB2 GLN 12 3.155 2.162 6.551 93 2HB GLN 12 HB3 GLN 12 4.442 2.350 7.752 94 1HG GLN 12 HG2 GLN 12 2.185 2.035 8.758 95 2HG GLN 12 HG3 GLN 12 2.967 3.541 9.254 96 1HE2 GLN 12 2HE2 GLN 12 1.334 5.086 9.510 97 2HE2 GLN 12 1HE2 GLN 12 0.065 5.335 8.325 98 H ASP 13 H ASP 13 6.360 4.133 7.621 99 HA ASP 13 HA ASP 13 6.130 5.824 9.871 100 1HB ASP 13 HB2 ASP 13 8.083 4.380 9.452 101 2HB ASP 13 HB3 ASP 13 8.513 5.329 8.017 102 H LEU 14 H LEU 14 7.059 6.684 6.456 103 HA LEU 14 HA LEU 14 7.297 9.440 6.963 104 1HB LEU 14 HB2 LEU 14 8.174 8.362 5.007 105 2HB LEU 14 HB3 LEU 14 6.559 7.957 4.420 106 HG LEU 14 HG LEU 14 6.077 10.215 3.874 107 1HD1 LEU 14 1HD1 LEU 14 8.651 11.027 5.294 108 2HD1 LEU 14 2HD1 LEU 14 7.642 12.098 4.305 109 3HD1 LEU 14 3HD1 LEU 14 6.992 11.437 5.802 110 1HD2 LEU 14 1HD2 LEU 14 9.012 9.682 3.196 111 2HD2 LEU 14 2HD2 LEU 14 7.635 8.949 2.360 112 3HD2 LEU 14 3HD2 LEU 14 7.896 10.696 2.271 113 H ARG 15 H ARG 15 4.358 7.640 5.799 114 HA ARG 15 HA ARG 15 2.587 9.852 5.835 115 1HB ARG 15 HB2 ARG 15 2.103 6.920 6.499 116 2HB ARG 15 HB3 ARG 15 0.819 8.136 6.468 117 1HG ARG 15 HG2 ARG 15 1.400 8.717 4.137 118 2HG ARG 15 HG3 ARG 15 2.630 7.453 4.127 119 1HD ARG 15 HD2 ARG 15 -0.360 7.035 4.683 120 2HD ARG 15 HD3 ARG 15 0.367 6.801 3.103 121 HE ARG 15 HE ARG 15 0.434 4.970 5.335 122 1HH1 ARG 15 1HH2 ARG 15 2.322 6.077 2.587 123 2HH1 ARG 15 2HH2 ARG 15 3.298 4.652 2.433 124 1HH2 ARG 15 1HH1 ARG 15 1.470 3.056 5.117 125 2HH2 ARG 15 2HH1 ARG 15 2.665 2.753 3.863 126 H SER 16 H SER 16 3.518 7.727 8.529 127 HA SER 16 HA SER 16 1.778 8.832 10.479 128 1HB SER 16 HB2 SER 16 4.430 7.404 10.842 129 2HB SER 16 HB3 SER 16 3.203 7.615 12.084 130 HG SER 16 HG SER 16 2.971 6.209 9.632 131 H HIS 17 H HIS 17 5.212 9.624 9.675 132 HA HIS 17 HA HIS 17 5.369 11.656 11.719 133 1HB HIS 17 HB2 HIS 17 7.264 10.366 10.496 134 2HB HIS 17 HB3 HIS 17 7.123 11.609 9.249 135 HD2 HIS 17 HD2 HIS 17 7.228 14.297 10.545 136 HE1 HIS 17 HE1 HIS 17 9.870 12.911 13.571 137 HE2 HIS 17 HE2 HIS 17 8.872 14.974 12.462 138 H LEU 18 H LEU 18 4.357 11.659 8.262 139 HA LEU 18 HA LEU 18 4.123 14.518 8.085 140 1HB LEU 18 HB2 LEU 18 2.834 12.207 6.611 141 2HB LEU 18 HB3 LEU 18 2.415 13.890 6.235 142 HG LEU 18 HG LEU 18 5.275 12.837 6.260 143 1HD1 LEU 18 1HD1 LEU 18 5.085 12.633 3.824 144 2HD1 LEU 18 2HD1 LEU 18 3.940 11.541 4.622 145 3HD1 LEU 18 3HD1 LEU 18 3.363 13.066 3.907 146 1HD2 LEU 18 1HD2 LEU 18 5.709 14.760 4.820 147 2HD2 LEU 18 2HD2 LEU 18 3.996 15.243 4.912 148 3HD2 LEU 18 3HD2 LEU 18 5.055 15.318 6.344 149 H VAL 19 H VAL 19 1.732 12.019 9.044 150 HA VAL 19 HA VAL 19 -0.341 13.761 9.861 151 HB VAL 19 HB VAL 19 0.589 11.056 10.843 152 1HG1 VAL 19 1HG1 VAL 19 -0.524 12.145 12.788 153 2HG1 VAL 19 2HG1 VAL 19 -1.937 12.461 11.750 154 3HG1 VAL 19 3HG1 VAL 19 -1.442 10.801 12.114 155 1HG2 VAL 19 1HG2 VAL 19 -1.877 11.965 9.294 156 2HG2 VAL 19 2HG2 VAL 19 -0.436 11.199 8.597 157 3HG2 VAL 19 3HG2 VAL 19 -1.446 10.291 9.717 158 H HIS 20 H HIS 20 2.560 12.653 11.734 159 HA HIS 20 HA HIS 20 2.089 14.193 14.022 160 1HB HIS 20 HB2 HIS 20 3.889 12.544 13.861 161 2HB HIS 20 HB3 HIS 20 4.796 13.606 12.788 162 HD2 HIS 20 HD2 HIS 20 3.981 13.124 16.409 163 HE1 HIS 20 HE1 HIS 20 6.700 16.395 16.186 164 HE2 HIS 20 HE2 HIS 20 5.503 14.802 17.773 165 H LYS 21 H LYS 21 3.801 15.278 11.019 166 HA LYS 21 HA LYS 21 4.254 17.950 11.868 167 1HB LYS 21 HB2 LYS 21 3.700 16.973 9.038 168 2HB LYS 21 HB3 LYS 21 4.237 18.583 9.485 169 1HG LYS 21 HG2 LYS 21 5.820 16.019 9.734 170 2HG LYS 21 HG3 LYS 21 6.064 17.395 8.663 171 1HD LYS 21 HD2 LYS 21 6.461 18.865 10.686 172 2HD LYS 21 HD3 LYS 21 6.416 17.401 11.690 173 1HE LYS 21 HE2 LYS 21 8.718 18.043 11.227 174 2HE LYS 21 HE3 LYS 21 8.359 16.480 10.473 175 1HZ LYS 21 HZ1 LYS 21 8.177 17.522 8.397 176 2HZ LYS 21 HZ2 LYS 21 8.306 19.039 9.026 177 3HZ LYS 21 HZ3 LYS 21 9.595 18.014 9.067 178 H LEU 22 H LEU 22 1.352 16.537 10.251 179 HA LEU 22 HA LEU 22 -0.110 18.990 10.141 180 1HB LEU 22 HB2 LEU 22 -1.233 16.227 10.705 181 2HB LEU 22 HB3 LEU 22 -2.145 17.647 10.229 182 HG LEU 22 HG LEU 22 -0.140 16.132 8.522 183 1HD1 LEU 22 1HD1 LEU 22 -2.161 15.651 7.172 184 2HD1 LEU 22 2HD1 LEU 22 -2.346 15.063 8.834 185 3HD1 LEU 22 3HD1 LEU 22 -3.137 16.573 8.334 186 1HD2 LEU 22 1HD2 LEU 22 -1.720 18.689 7.945 187 2HD2 LEU 22 2HD2 LEU 22 0.049 18.502 7.986 188 3HD2 LEU 22 3HD2 LEU 22 -0.884 17.729 6.710 189 H VAL 23 H VAL 23 0.008 16.527 12.764 190 HA VAL 23 HA VAL 23 -1.622 17.960 14.561 191 HB VAL 23 HB VAL 23 0.683 16.119 15.256 192 1HG1 VAL 23 1HG1 VAL 23 -0.461 15.895 17.449 193 2HG1 VAL 23 2HG1 VAL 23 0.050 17.565 17.191 194 3HG1 VAL 23 3HG1 VAL 23 -1.645 17.122 16.964 195 1HG2 VAL 23 1HG2 VAL 23 -1.068 14.435 15.561 196 2HG2 VAL 23 2HG2 VAL 23 -2.323 15.605 15.099 197 3HG2 VAL 23 3HG2 VAL 23 -1.141 15.041 13.907 198 H GLN 24 H GLN 24 1.982 18.220 14.160 199 HA GLN 24 HA GLN 24 2.297 20.216 16.207 200 1HB GLN 24 HB2 GLN 24 3.977 19.935 13.667 201 2HB GLN 24 HB3 GLN 24 4.407 20.743 15.175 202 1HG GLN 24 HG2 GLN 24 4.380 17.805 14.555 203 2HG GLN 24 HG3 GLN 24 5.575 18.782 15.381 204 1HE2 GLN 24 2HE2 GLN 24 2.789 16.753 15.752 205 2HE2 GLN 24 1HE2 GLN 24 2.571 16.990 17.502 206 H ALA 25 H ALA 25 1.717 20.574 12.700 207 HA ALA 25 HA ALA 25 2.009 23.392 12.652 208 1HB ALA 25 HB1 ALA 25 0.986 23.249 10.468 209 2HB ALA 25 HB2 ALA 25 2.138 21.918 10.668 210 3HB ALA 25 HB3 ALA 25 0.390 21.603 10.789 211 H ILE 26 H ILE 26 -0.860 21.327 13.182 212 HA ILE 26 HA ILE 26 -2.686 23.588 13.454 213 HB ILE 26 HB ILE 26 -2.943 20.653 14.230 214 1HG1 ILE 26 2HG1 ILE 26 -4.055 22.020 11.760 215 2HG1 ILE 26 3HG1 ILE 26 -2.517 21.174 11.725 216 1HG2 ILE 26 1HG2 ILE 26 -5.430 21.166 14.104 217 2HG2 ILE 26 2HG2 ILE 26 -4.612 21.993 15.419 218 3HG2 ILE 26 3HG2 ILE 26 -5.016 22.876 13.933 219 1HD1 ILE 26 1HD1 ILE 26 -3.636 19.085 12.515 220 2HD1 ILE 26 2HD1 ILE 26 -5.207 19.895 12.306 221 3HD1 ILE 26 3HD1 ILE 26 -4.146 19.652 10.914 222 H PHE 27 H PHE 27 -0.762 21.528 15.598 223 HA PHE 27 HA PHE 27 -1.342 23.118 18.018 224 1HB PHE 27 HB2 PHE 27 -3.166 21.406 17.519 225 2HB PHE 27 HB3 PHE 27 -1.969 20.154 17.777 226 HD1 PHE 27 HD1 PHE 27 -0.768 20.161 20.178 227 HD2 PHE 27 HD2 PHE 27 -4.524 22.096 19.244 228 HE1 PHE 27 HE1 PHE 27 -1.422 20.023 22.521 229 HE2 PHE 27 HE2 PHE 27 -5.246 21.780 21.569 230 HZ PHE 27 HZ PHE 27 -3.670 20.833 23.260 231 HA PRO 28 HA PRO 28 3.064 21.577 17.810 232 1HB PRO 28 HB2 PRO 28 3.107 23.745 19.866 233 2HB PRO 28 HB3 PRO 28 4.374 23.337 18.676 234 1HG PRO 28 HG2 PRO 28 2.733 25.437 18.189 235 2HG PRO 28 HG3 PRO 28 3.024 24.251 16.880 236 1HD PRO 28 HD2 PRO 28 0.643 24.413 18.747 237 2HD PRO 28 HD3 PRO 28 0.670 24.173 16.974 238 H THR 29 H THR 29 3.328 19.663 18.912 239 HA THR 29 HA THR 29 1.702 19.157 21.247 240 HB THR 29 HB THR 29 3.681 17.382 19.800 241 HG1 THR 29 HG1 THR 29 1.470 18.464 18.897 242 1HG2 THR 29 1HG2 THR 29 3.022 16.451 21.980 243 2HG2 THR 29 2HG2 THR 29 1.308 16.716 21.587 244 3HG2 THR 29 3HG2 THR 29 2.266 15.540 20.665 245 HA PRO 30 HA PRO 30 5.071 20.271 23.979 246 1HB PRO 30 HB2 PRO 30 4.179 19.257 26.380 247 2HB PRO 30 HB3 PRO 30 3.515 20.717 25.596 248 1HG PRO 30 HG2 PRO 30 2.421 17.901 25.480 249 2HG PRO 30 HG3 PRO 30 1.527 19.412 25.810 250 1HD PRO 30 HD2 PRO 30 1.556 18.295 23.340 251 2HD PRO 30 HD3 PRO 30 1.634 20.073 23.525 252 H ASP 31 H ASP 31 3.916 16.843 24.091 253 HA ASP 31 HA ASP 31 6.686 15.916 23.967 254 1HB ASP 31 HB2 ASP 31 6.197 16.274 26.422 255 2HB ASP 31 HB3 ASP 31 4.862 15.129 26.289 256 HA PRO 32 HA PRO 32 4.517 12.829 21.452 257 1HB PRO 32 HB2 PRO 32 6.558 11.038 22.811 258 2HB PRO 32 HB3 PRO 32 5.974 10.968 21.121 259 1HG PRO 32 HG2 PRO 32 8.305 12.228 21.654 260 2HG PRO 32 HG3 PRO 32 7.111 13.031 20.592 261 1HD PRO 32 HD2 PRO 32 7.669 13.558 23.511 262 2HD PRO 32 HD3 PRO 32 7.361 14.717 22.185 263 H ALA 33 H ALA 33 5.326 11.952 24.876 264 HA ALA 33 HA ALA 33 3.411 9.915 25.207 265 1HB ALA 33 HB1 ALA 33 5.234 10.426 26.804 266 2HB ALA 33 HB2 ALA 33 4.406 11.932 27.264 267 3HB ALA 33 HB3 ALA 33 3.655 10.362 27.609 268 H ALA 34 H ALA 34 2.972 13.415 25.112 269 HA ALA 34 HA ALA 34 0.482 13.581 26.492 270 1HB ALA 34 HB1 ALA 34 0.306 15.772 25.541 271 2HB ALA 34 HB2 ALA 34 2.024 15.502 25.919 272 3HB ALA 34 HB3 ALA 34 1.441 15.385 24.240 273 H LEU 35 H LEU 35 1.315 12.379 23.278 274 HA LEU 35 HA LEU 35 -1.180 12.764 21.980 275 1HB LEU 35 HB2 LEU 35 0.842 10.523 21.681 276 2HB LEU 35 HB3 LEU 35 -0.455 10.873 20.540 277 HG LEU 35 HG LEU 35 1.733 12.902 21.211 278 1HD1 LEU 35 1HD1 LEU 35 1.573 10.965 18.865 279 2HD1 LEU 35 2HD1 LEU 35 2.792 12.235 19.104 280 3HD1 LEU 35 3HD1 LEU 35 2.721 10.857 20.215 281 1HD2 LEU 35 1HD2 LEU 35 -0.215 12.733 18.884 282 2HD2 LEU 35 2HD2 LEU 35 -0.332 13.879 20.235 283 3HD2 LEU 35 3HD2 LEU 35 1.034 13.965 19.117 284 H LYS 36 H LYS 36 -0.383 10.628 24.664 285 HA LYS 36 HA LYS 36 -2.484 8.720 24.226 286 1HB LYS 36 HB2 LYS 36 -1.091 9.653 26.747 287 2HB LYS 36 HB3 LYS 36 -2.156 8.253 26.624 288 1HG LYS 36 HG2 LYS 36 -0.701 7.254 24.897 289 2HG LYS 36 HG3 LYS 36 0.479 8.545 25.124 290 1HD LYS 36 HD2 LYS 36 -0.452 6.854 27.482 291 2HD LYS 36 HD3 LYS 36 0.742 6.229 26.347 292 1HE LYS 36 HE2 LYS 36 1.834 7.204 28.298 293 2HE LYS 36 HE3 LYS 36 2.288 8.049 26.811 294 1HZ LYS 36 HZ1 LYS 36 0.226 8.994 28.674 295 2HZ LYS 36 HZ2 LYS 36 1.796 9.498 28.685 296 3HZ LYS 36 HZ3 LYS 36 0.852 9.800 27.370 297 H ASP 37 H ASP 37 -2.612 12.079 25.195 298 HA ASP 37 HA ASP 37 -4.944 11.950 26.876 299 1HB ASP 37 HB2 ASP 37 -3.575 13.911 26.975 300 2HB ASP 37 HB3 ASP 37 -3.643 14.132 25.221 301 H ARG 38 H ARG 38 -7.135 12.386 26.359 302 HA ARG 38 HA ARG 38 -8.025 11.109 24.002 303 1HB ARG 38 HB2 ARG 38 -9.132 11.703 26.451 304 2HB ARG 38 HB3 ARG 38 -9.955 12.879 25.444 305 1HG ARG 38 HG2 ARG 38 -11.241 10.828 25.689 306 2HG ARG 38 HG3 ARG 38 -10.812 11.072 23.994 307 1HD ARG 38 HD2 ARG 38 -10.627 8.686 24.998 308 2HD ARG 38 HD3 ARG 38 -9.322 9.261 23.986 309 HE ARG 38 HE ARG 38 -9.320 9.219 26.994 310 1HH1 ARG 38 1HH2 ARG 38 -7.419 8.668 23.984 311 2HH1 ARG 38 2HH2 ARG 38 -5.909 8.949 24.839 312 1HH2 ARG 38 1HH1 ARG 38 -7.235 9.349 28.007 313 2HH2 ARG 38 2HH1 ARG 38 -5.805 9.240 26.983 314 H ARG 39 H ARG 39 -7.897 14.585 24.805 315 HA ARG 39 HA ARG 39 -9.290 15.445 22.449 316 1HB ARG 39 HB2 ARG 39 -8.935 16.745 24.601 317 2HB ARG 39 HB3 ARG 39 -7.272 17.025 24.086 318 1HG ARG 39 HG2 ARG 39 -8.974 17.738 21.872 319 2HG ARG 39 HG3 ARG 39 -9.721 18.392 23.331 320 1HD ARG 39 HD2 ARG 39 -8.197 20.077 22.477 321 2HD ARG 39 HD3 ARG 39 -7.524 19.427 23.964 322 HE ARG 39 HE ARG 39 -5.737 18.552 22.804 323 1HH1 ARG 39 2HH2 ARG 39 -8.274 19.386 20.492 324 2HH1 ARG 39 1HH2 ARG 39 -7.276 19.131 19.088 325 1HH2 ARG 39 2HH1 ARG 39 -4.434 18.164 20.981 326 2HH2 ARG 39 1HH1 ARG 39 -5.065 18.409 19.379 327 H MET 40 H MET 40 -5.795 15.119 23.299 328 HA MET 40 HA MET 40 -4.723 15.794 20.765 329 1HB MET 40 HB2 MET 40 -3.778 13.771 22.848 330 2HB MET 40 HB3 MET 40 -2.879 14.235 21.414 331 1HG MET 40 HG2 MET 40 -3.625 16.048 23.725 332 2HG MET 40 HG3 MET 40 -2.028 15.432 23.285 333 1HE MET 40 HE1 MET 40 -1.341 17.492 19.960 334 2HE MET 40 HE2 MET 40 -0.824 16.108 20.948 335 3HE MET 40 HE3 MET 40 -2.296 15.995 19.953 336 H GLU 41 H GLU 41 -5.696 12.546 22.003 337 HA GLU 41 HA GLU 41 -5.177 11.114 19.703 338 1HB GLU 41 HB2 GLU 41 -5.748 10.150 21.879 339 2HB GLU 41 HB3 GLU 41 -7.442 10.636 21.671 340 1HG GLU 41 HG2 GLU 41 -7.685 9.137 19.755 341 2HG GLU 41 HG3 GLU 41 -5.945 8.794 19.756 342 H ASN 42 H ASN 42 -8.107 12.986 20.452 343 HA ASN 42 HA ASN 42 -9.540 12.311 18.041 344 1HB ASN 42 HB2 ASN 42 -9.729 14.641 19.971 345 2HB ASN 42 HB3 ASN 42 -10.601 14.650 18.440 346 1HD2 ASN 42 2HD2 ASN 42 -10.125 12.579 21.372 347 2HD2 ASN 42 1HD2 ASN 42 -11.755 11.917 21.297 348 H LEU 43 H LEU 43 -7.204 14.979 18.742 349 HA LEU 43 HA LEU 43 -7.466 16.119 16.120 350 1HB LEU 43 HB2 LEU 43 -6.559 17.406 17.960 351 2HB LEU 43 HB3 LEU 43 -5.191 16.296 18.127 352 HG LEU 43 HG LEU 43 -4.349 16.935 15.899 353 1HD1 LEU 43 1HD1 LEU 43 -6.709 18.872 15.839 354 2HD1 LEU 43 2HD1 LEU 43 -5.328 18.892 14.722 355 3HD1 LEU 43 3HD1 LEU 43 -6.431 17.522 14.713 356 1HD2 LEU 43 1HD2 LEU 43 -4.944 19.390 17.595 357 2HD2 LEU 43 2HD2 LEU 43 -3.635 18.218 17.898 358 3HD2 LEU 43 3HD2 LEU 43 -3.639 19.181 16.410 359 H VAL 44 H VAL 44 -5.249 13.707 17.494 360 HA VAL 44 HA VAL 44 -3.603 13.199 15.247 361 HB VAL 44 HB VAL 44 -4.576 11.478 17.536 362 1HG1 VAL 44 1HG1 VAL 44 -2.701 9.927 16.984 363 2HG1 VAL 44 2HG1 VAL 44 -3.967 9.920 15.753 364 3HG1 VAL 44 3HG1 VAL 44 -2.451 10.808 15.461 365 1HG2 VAL 44 1HG2 VAL 44 -1.830 12.677 17.028 366 2HG2 VAL 44 2HG2 VAL 44 -3.042 13.447 18.060 367 3HG2 VAL 44 3HG2 VAL 44 -2.403 11.861 18.498 368 H ALA 45 H ALA 45 -6.739 11.684 16.235 369 HA ALA 45 HA ALA 45 -7.014 10.000 13.994 370 1HB ALA 45 HB1 ALA 45 -9.223 11.356 15.595 371 2HB ALA 45 HB2 ALA 45 -9.397 9.946 14.536 372 3HB ALA 45 HB3 ALA 45 -8.412 9.831 16.008 373 H TYR 46 H TYR 46 -8.197 13.396 14.424 374 HA TYR 46 HA TYR 46 -9.302 13.675 11.830 375 1HB TYR 46 HB2 TYR 46 -9.656 15.365 13.542 376 2HB TYR 46 HB3 TYR 46 -7.941 15.761 13.579 377 HD1 TYR 46 HD1 TYR 46 -6.960 17.272 11.973 378 HD2 TYR 46 HD2 TYR 46 -10.959 15.777 11.369 379 HE1 TYR 46 HE1 TYR 46 -7.193 18.695 9.956 380 HE2 TYR 46 HE2 TYR 46 -11.198 17.218 9.377 381 HH TYR 46 HH TYR 46 -10.182 18.723 7.992 382 H ALA 47 H ALA 47 -5.944 14.317 12.936 383 HA ALA 47 HA ALA 47 -4.944 15.194 10.441 384 1HB ALA 47 HB1 ALA 47 -3.757 15.578 12.521 385 2HB ALA 47 HB2 ALA 47 -3.525 13.837 12.767 386 3HB ALA 47 HB3 ALA 47 -2.723 14.656 11.411 387 H LYS 48 H LYS 48 -5.042 11.878 11.840 388 HA LYS 48 HA LYS 48 -3.815 10.516 9.661 389 1HB LYS 48 HB2 LYS 48 -5.918 9.638 11.679 390 2HB LYS 48 HB3 LYS 48 -5.223 8.558 10.463 391 1HG LYS 48 HG2 LYS 48 -2.972 8.943 11.324 392 2HG LYS 48 HG3 LYS 48 -3.599 10.076 12.539 393 1HD LYS 48 HD2 LYS 48 -4.933 8.310 13.578 394 2HD LYS 48 HD3 LYS 48 -4.416 7.137 12.356 395 1HE LYS 48 HE2 LYS 48 -2.516 8.586 14.266 396 2HE LYS 48 HE3 LYS 48 -3.182 6.973 14.552 397 1HZ LYS 48 HZ1 LYS 48 -1.024 6.859 13.589 398 2HZ LYS 48 HZ2 LYS 48 -2.129 6.249 12.531 399 3HZ LYS 48 HZ3 LYS 48 -1.487 7.747 12.283 400 H LYS 49 H LYS 49 -7.290 11.198 10.297 401 HA LYS 49 HA LYS 49 -8.360 10.043 7.989 402 1HB LYS 49 HB2 LYS 49 -9.573 10.971 9.984 403 2HB LYS 49 HB3 LYS 49 -9.339 12.587 9.335 404 1HG LYS 49 HG2 LYS 49 -10.569 11.973 7.297 405 2HG LYS 49 HG3 LYS 49 -10.785 10.319 7.906 406 1HD LYS 49 HD2 LYS 49 -12.099 11.163 9.817 407 2HD LYS 49 HD3 LYS 49 -11.775 12.835 9.335 408 1HE LYS 49 HE2 LYS 49 -14.030 12.204 8.650 409 2HE LYS 49 HE3 LYS 49 -13.027 12.497 7.221 410 1HZ LYS 49 HZ1 LYS 49 -12.762 10.134 7.001 411 2HZ LYS 49 HZ2 LYS 49 -13.669 9.859 8.350 412 3HZ LYS 49 HZ3 LYS 49 -14.360 10.530 7.013 413 H VAL 50 H VAL 50 -7.453 13.471 8.481 414 HA VAL 50 HA VAL 50 -7.976 14.192 5.819 415 HB VAL 50 HB VAL 50 -7.497 15.614 8.072 416 1HG1 VAL 50 1HG1 VAL 50 -5.044 15.439 7.933 417 2HG1 VAL 50 2HG1 VAL 50 -5.078 16.241 6.338 418 3HG1 VAL 50 3HG1 VAL 50 -5.629 17.109 7.779 419 1HG2 VAL 50 1HG2 VAL 50 -8.815 16.320 6.156 420 2HG2 VAL 50 2HG2 VAL 50 -7.690 17.594 6.660 421 3HG2 VAL 50 3HG2 VAL 50 -7.331 16.625 5.215 422 H GLU 51 H GLU 51 -4.786 13.198 7.282 423 HA GLU 51 HA GLU 51 -3.299 13.453 4.916 424 1HB GLU 51 HB2 GLU 51 -2.357 13.075 7.114 425 2HB GLU 51 HB3 GLU 51 -3.034 11.444 7.172 426 1HG GLU 51 HG2 GLU 51 -1.183 12.306 4.909 427 2HG GLU 51 HG3 GLU 51 -0.509 11.841 6.464 428 H GLY 52 H GLY 52 -5.330 10.706 6.042 429 1HA GLY 52 HA2 GLY 52 -4.948 8.935 3.886 430 2HA GLY 52 HA3 GLY 52 -6.435 9.107 4.835 431 H ASP 53 H ASP 53 -7.451 11.494 4.257 432 HA ASP 53 HA ASP 53 -8.705 11.257 1.760 433 1HB ASP 53 HB2 ASP 53 -9.539 12.661 3.613 434 2HB ASP 53 HB3 ASP 53 -8.215 13.806 3.343 435 H MET 54 H MET 54 -5.902 13.316 2.649 436 HA MET 54 HA MET 54 -5.473 14.360 0.028 437 1HB MET 54 HB2 MET 54 -3.514 13.943 2.328 438 2HB MET 54 HB3 MET 54 -3.165 14.839 0.852 439 1HG MET 54 HG2 MET 54 -5.235 15.526 2.965 440 2HG MET 54 HG3 MET 54 -3.779 16.416 2.546 441 1HE MET 54 HE1 MET 54 -5.026 18.495 2.670 442 2HE MET 54 HE2 MET 54 -6.498 18.936 1.752 443 3HE MET 54 HE3 MET 54 -6.579 17.684 3.026 444 H TYR 55 H TYR 55 -4.158 11.432 1.632 445 HA TYR 55 HA TYR 55 -2.388 10.665 -0.408 446 1HB TYR 55 HB2 TYR 55 -2.799 9.660 1.952 447 2HB TYR 55 HB3 TYR 55 -4.020 8.653 1.183 448 HD1 TYR 55 HD1 TYR 55 -0.533 9.076 1.915 449 HD2 TYR 55 HD2 TYR 55 -3.237 7.228 -0.900 450 HE1 TYR 55 HE1 TYR 55 1.366 7.937 0.828 451 HE2 TYR 55 HE2 TYR 55 -1.315 6.170 -2.031 452 HH TYR 55 HH TYR 55 0.965 6.548 -2.372 453 H GLU 56 H GLU 56 -5.857 9.788 0.029 454 HA GLU 56 HA GLU 56 -6.081 8.324 -2.408 455 1HB GLU 56 HB2 GLU 56 -8.165 9.765 -0.730 456 2HB GLU 56 HB3 GLU 56 -8.515 8.598 -2.009 457 1HG GLU 56 HG2 GLU 56 -6.927 7.960 0.510 458 2HG GLU 56 HG3 GLU 56 -8.619 7.579 0.244 459 H SER 57 H SER 57 -6.562 11.799 -1.704 460 HA SER 57 HA SER 57 -7.566 12.445 -4.327 461 1HB SER 57 HB2 SER 57 -6.056 14.217 -2.353 462 2HB SER 57 HB3 SER 57 -7.065 14.750 -3.707 463 HG SER 57 HG SER 57 -7.899 13.308 -1.394 464 H ALA 58 H ALA 58 -4.296 12.288 -2.944 465 HA ALA 58 HA ALA 58 -3.011 13.767 -4.953 466 1HB ALA 58 HB1 ALA 58 -2.107 13.659 -2.797 467 2HB ALA 58 HB2 ALA 58 -1.960 11.897 -2.838 468 3HB ALA 58 HB3 ALA 58 -0.946 12.897 -3.909 469 H ASN 59 H ASN 59 -3.070 13.176 -7.014 470 HA ASN 59 HA ASN 59 -2.867 10.437 -7.959 471 1HB ASN 59 HB2 ASN 59 -2.835 13.158 -9.288 472 2HB ASN 59 HB3 ASN 59 -2.514 11.671 -10.178 473 1HD2 ASN 59 2HD2 ASN 59 -5.058 12.497 -7.579 474 2HD2 ASN 59 1HD2 ASN 59 -6.331 11.930 -8.621 475 H SER 60 H SER 60 -0.526 12.869 -7.000 476 HA SER 60 HA SER 60 1.630 10.959 -7.534 477 1HB SER 60 HB2 SER 60 1.642 12.305 -9.598 478 2HB SER 60 HB3 SER 60 1.748 13.788 -8.628 479 HG SER 60 HG SER 60 3.837 13.296 -9.052 480 H ARG 61 H ARG 61 3.627 11.791 -6.602 481 HA ARG 61 HA ARG 61 3.273 12.242 -3.790 482 1HB ARG 61 HB2 ARG 61 5.065 10.897 -4.801 483 2HB ARG 61 HB3 ARG 61 5.770 12.345 -5.541 484 1HG ARG 61 HG2 ARG 61 6.275 13.271 -3.334 485 2HG ARG 61 HG3 ARG 61 5.400 11.929 -2.544 486 1HD ARG 61 HD2 ARG 61 6.963 10.325 -3.441 487 2HD ARG 61 HD3 ARG 61 7.802 11.590 -4.363 488 HE ARG 61 HE ARG 61 8.040 12.539 -1.834 489 1HH1 ARG 61 1HH2 ARG 61 8.907 9.495 -3.431 490 2HH1 ARG 61 2HH2 ARG 61 10.196 9.123 -2.330 491 1HH2 ARG 61 1HH1 ARG 61 9.791 12.186 -0.535 492 2HH2 ARG 61 2HH1 ARG 61 10.809 10.776 -0.658 493 H ASP 62 H ASP 62 4.532 14.273 -6.470 494 HA ASP 62 HA ASP 62 5.065 16.645 -5.101 495 1HB ASP 62 HB2 ASP 62 4.431 17.758 -7.287 496 2HB ASP 62 HB3 ASP 62 5.682 16.520 -7.361 497 H GLU 63 H GLU 63 1.901 15.711 -6.556 498 HA GLU 63 HA GLU 63 0.415 17.827 -5.472 499 1HB GLU 63 HB2 GLU 63 -0.447 16.396 -7.220 500 2HB GLU 63 HB3 GLU 63 -0.495 15.001 -6.127 501 1HG GLU 63 HG2 GLU 63 -2.208 16.031 -4.762 502 2HG GLU 63 HG3 GLU 63 -2.053 17.574 -5.613 503 H TYR 64 H TYR 64 0.959 14.535 -4.071 504 HA TYR 64 HA TYR 64 -0.478 14.780 -1.717 505 1HB TYR 64 HB2 TYR 64 0.674 12.726 -2.426 506 2HB TYR 64 HB3 TYR 64 2.222 13.468 -2.107 507 HD1 TYR 64 HD1 TYR 64 -1.007 12.934 -0.226 508 HD2 TYR 64 HD2 TYR 64 3.306 12.725 -0.231 509 HE1 TYR 64 HE1 TYR 64 -1.054 11.835 1.989 510 HE2 TYR 64 HE2 TYR 64 3.250 11.596 1.964 511 HH TYR 64 HH TYR 64 0.205 10.760 3.600 512 H TYR 65 H TYR 65 2.931 15.859 -2.160 513 HA TYR 65 HA TYR 65 3.036 17.044 0.476 514 1HB TYR 65 HB2 TYR 65 4.717 17.361 -2.027 515 2HB TYR 65 HB3 TYR 65 4.981 18.362 -0.602 516 HD1 TYR 65 HD1 TYR 65 5.543 15.056 -2.011 517 HD2 TYR 65 HD2 TYR 65 5.373 17.299 1.653 518 HE1 TYR 65 HE1 TYR 65 6.242 13.042 -0.734 519 HE2 TYR 65 HE2 TYR 65 6.342 15.378 2.864 520 HH TYR 65 HH TYR 65 6.768 12.187 1.300 521 H HIS 66 H HIS 66 2.343 18.465 -2.760 522 HA HIS 66 HA HIS 66 2.127 21.118 -1.899 523 1HB HIS 66 HB2 HIS 66 2.163 20.551 -4.250 524 2HB HIS 66 HB3 HIS 66 0.595 19.742 -4.116 525 HD2 HIS 66 HD2 HIS 66 -1.524 21.216 -4.480 526 HE1 HIS 66 HE1 HIS 66 0.153 25.063 -3.771 527 HE2 HIS 66 HE2 HIS 66 -1.961 23.801 -4.421 528 H LEU 67 H LEU 67 -0.683 18.813 -2.257 529 HA LEU 67 HA LEU 67 -2.390 20.844 -1.169 530 1HB LEU 67 HB2 LEU 67 -4.159 19.040 -1.000 531 2HB LEU 67 HB3 LEU 67 -3.629 19.678 -2.549 532 HG LEU 67 HG LEU 67 -2.378 17.718 -3.070 533 1HD1 LEU 67 1HD1 LEU 67 -2.577 15.692 -1.500 534 2HD1 LEU 67 2HD1 LEU 67 -1.515 17.001 -0.954 535 3HD1 LEU 67 3HD1 LEU 67 -3.122 16.836 -0.256 536 1HD2 LEU 67 1HD2 LEU 67 -4.758 17.712 -3.607 537 2HD2 LEU 67 2HD2 LEU 67 -4.172 16.080 -3.247 538 3HD2 LEU 67 3HD2 LEU 67 -5.125 16.962 -2.033 539 H LEU 68 H LEU 68 -0.575 18.286 0.474 540 HA LEU 68 HA LEU 68 -1.959 18.684 2.987 541 1HB LEU 68 HB2 LEU 68 0.766 17.581 2.242 542 2HB LEU 68 HB3 LEU 68 0.326 17.849 3.934 543 HG LEU 68 HG LEU 68 -1.405 16.170 2.103 544 1HD1 LEU 68 1HD1 LEU 68 0.854 15.273 3.958 545 2HD1 LEU 68 2HD1 LEU 68 -0.369 14.210 3.235 546 3HD1 LEU 68 3HD1 LEU 68 0.786 15.074 2.194 547 1HD2 LEU 68 1HD2 LEU 68 -1.065 16.135 5.135 548 2HD2 LEU 68 2HD2 LEU 68 -2.357 17.062 4.354 549 3HD2 LEU 68 3HD2 LEU 68 -2.304 15.306 4.188 550 H ALA 69 H ALA 69 1.080 20.104 1.632 551 HA ALA 69 HA ALA 69 1.560 21.864 3.827 552 1HB ALA 69 HB1 ALA 69 3.223 21.365 2.107 553 2HB ALA 69 HB2 ALA 69 2.238 22.185 0.872 554 3HB ALA 69 HB3 ALA 69 2.940 23.114 2.215 555 H GLU 70 H GLU 70 -0.344 22.337 0.822 556 HA GLU 70 HA GLU 70 -1.166 24.976 1.290 557 1HB GLU 70 HB2 GLU 70 -1.427 23.662 -0.833 558 2HB GLU 70 HB3 GLU 70 -2.716 22.728 -0.053 559 1HG GLU 70 HG2 GLU 70 -3.640 24.443 -1.488 560 2HG GLU 70 HG3 GLU 70 -4.082 24.767 0.192 561 H LYS 71 H LYS 71 -2.770 21.875 2.264 562 HA LYS 71 HA LYS 71 -4.981 22.958 3.592 563 1HB LYS 71 HB2 LYS 71 -4.808 20.670 3.080 564 2HB LYS 71 HB3 LYS 71 -3.365 20.442 4.057 565 1HG LYS 71 HG2 LYS 71 -5.354 19.433 5.037 566 2HG LYS 71 HG3 LYS 71 -4.613 20.624 6.105 567 1HD LYS 71 HD2 LYS 71 -6.326 22.201 5.742 568 2HD LYS 71 HD3 LYS 71 -6.926 21.367 4.289 569 1HE LYS 71 HE2 LYS 71 -7.856 19.582 5.544 570 2HE LYS 71 HE3 LYS 71 -6.976 20.024 7.019 571 1HZ LYS 71 HZ1 LYS 71 -9.222 20.657 7.167 572 2HZ LYS 71 HZ2 LYS 71 -8.292 22.016 7.122 573 3HZ LYS 71 HZ3 LYS 71 -9.146 21.562 5.785 574 H ILE 72 H ILE 72 -1.737 22.195 4.993 575 HA ILE 72 HA ILE 72 -2.199 23.234 7.596 576 HB ILE 72 HB ILE 72 0.301 23.198 5.873 577 1HG1 ILE 72 2HG1 ILE 72 -0.489 21.426 8.214 578 2HG1 ILE 72 3HG1 ILE 72 -0.717 20.999 6.503 579 1HG2 ILE 72 1HG2 ILE 72 1.523 23.525 8.075 580 2HG2 ILE 72 2HG2 ILE 72 0.740 24.925 7.370 581 3HG2 ILE 72 3HG2 ILE 72 -0.043 24.095 8.727 582 1HD1 ILE 72 1HD1 ILE 72 1.762 21.502 6.185 583 2HD1 ILE 72 2HD1 ILE 72 1.906 21.322 7.953 584 3HD1 ILE 72 3HD1 ILE 72 1.289 19.990 6.958 585 H TYR 73 H TYR 73 -0.915 24.886 4.710 586 HA TYR 73 HA TYR 73 -0.428 27.388 5.819 587 1HB TYR 73 HB2 TYR 73 0.161 26.321 3.569 588 2HB TYR 73 HB3 TYR 73 -1.385 26.912 2.988 589 HD1 TYR 73 HD1 TYR 73 -0.467 29.650 4.980 590 HD2 TYR 73 HD2 TYR 73 1.199 27.453 1.673 591 HE1 TYR 73 HE1 TYR 73 -0.080 31.755 3.773 592 HE2 TYR 73 HE2 TYR 73 1.685 29.558 0.520 593 HH TYR 73 HH TYR 73 1.186 31.833 0.424 594 H LYS 74 H LYS 74 -3.354 26.247 4.121 595 HA LYS 74 HA LYS 74 -4.985 28.539 4.539 596 1HB LYS 74 HB2 LYS 74 -5.755 25.602 4.233 597 2HB LYS 74 HB3 LYS 74 -6.896 26.952 4.297 598 1HG LYS 74 HG2 LYS 74 -5.768 28.011 2.324 599 2HG LYS 74 HG3 LYS 74 -4.685 26.626 2.226 600 1HD LYS 74 HD2 LYS 74 -6.401 26.305 0.603 601 2HD LYS 74 HD3 LYS 74 -6.686 25.129 1.896 602 1HE LYS 74 HE2 LYS 74 -8.491 26.582 2.822 603 2HE LYS 74 HE3 LYS 74 -8.121 27.824 1.617 604 1HZ LYS 74 HZ1 LYS 74 -9.103 25.114 1.054 605 2HZ LYS 74 HZ2 LYS 74 -9.985 26.503 0.984 606 3HZ LYS 74 HZ3 LYS 74 -8.752 26.257 -0.080 607 H ILE 75 H ILE 75 -4.707 25.543 6.604 608 HA ILE 75 HA ILE 75 -6.522 26.368 8.639 609 HB ILE 75 HB ILE 75 -3.952 24.745 8.838 610 1HG1 ILE 75 2HG1 ILE 75 -6.924 23.980 8.863 611 2HG1 ILE 75 3HG1 ILE 75 -5.919 23.897 7.427 612 1HG2 ILE 75 1HG2 ILE 75 -4.850 24.022 11.050 613 2HG2 ILE 75 2HG2 ILE 75 -4.464 25.728 11.048 614 3HG2 ILE 75 3HG2 ILE 75 -6.157 25.208 10.898 615 1HD1 ILE 75 1HD1 ILE 75 -4.386 22.295 8.601 616 2HD1 ILE 75 2HD1 ILE 75 -5.560 22.236 9.943 617 3HD1 ILE 75 3HD1 ILE 75 -6.034 21.698 8.335 618 H GLN 76 H GLN 76 -2.966 27.033 8.547 619 HA GLN 76 HA GLN 76 -3.046 28.710 10.835 620 1HB GLN 76 HB2 GLN 76 -1.220 28.551 8.422 621 2HB GLN 76 HB3 GLN 76 -0.946 29.760 9.671 622 1HG GLN 76 HG2 GLN 76 -1.119 26.748 10.209 623 2HG GLN 76 HG3 GLN 76 0.380 27.669 10.036 624 1HE2 GLN 76 2HE2 GLN 76 -0.554 26.170 12.527 625 2HE2 GLN 76 1HE2 GLN 76 -0.611 27.442 13.717 626 H LYS 77 H LYS 77 -3.274 29.720 7.384 627 HA LYS 77 HA LYS 77 -3.593 32.485 7.902 628 1HB LYS 77 HB2 LYS 77 -4.506 30.702 5.630 629 2HB LYS 77 HB3 LYS 77 -4.658 32.447 5.565 630 1HG LYS 77 HG2 LYS 77 -2.039 30.951 5.888 631 2HG LYS 77 HG3 LYS 77 -2.667 31.648 4.394 632 1HD LYS 77 HD2 LYS 77 -1.433 33.468 4.952 633 2HD LYS 77 HD3 LYS 77 -2.761 33.832 6.049 634 1HE LYS 77 HE2 LYS 77 -1.431 32.420 7.821 635 2HE LYS 77 HE3 LYS 77 -0.110 32.430 6.655 636 1HZ LYS 77 HZ1 LYS 77 0.082 34.187 8.250 637 2HZ LYS 77 HZ2 LYS 77 -0.162 34.836 6.754 638 3HZ LYS 77 HZ3 LYS 77 -1.392 34.791 7.850 639 H GLU 78 H GLU 78 -6.141 30.042 7.579 640 HA GLU 78 HA GLU 78 -8.305 31.923 7.885 641 1HB GLU 78 HB2 GLU 78 -8.137 28.902 8.188 642 2HB GLU 78 HB3 GLU 78 -9.646 29.820 8.277 643 1HG GLU 78 HG2 GLU 78 -7.822 29.769 5.837 644 2HG GLU 78 HG3 GLU 78 -9.292 28.822 6.045 645 H LEU 79 H LEU 79 -6.590 29.737 10.096 646 HA LEU 79 HA LEU 79 -8.398 30.108 12.273 647 1HB LEU 79 HB2 LEU 79 -7.084 28.106 11.724 648 2HB LEU 79 HB3 LEU 79 -5.593 28.964 12.168 649 HG LEU 79 HG LEU 79 -6.238 28.969 14.501 650 1HD1 LEU 79 1HD1 LEU 79 -8.315 27.757 15.234 651 2HD1 LEU 79 2HD1 LEU 79 -8.669 29.265 14.385 652 3HD1 LEU 79 3HD1 LEU 79 -8.854 27.708 13.542 653 1HD2 LEU 79 1HD2 LEU 79 -6.699 26.305 13.055 654 2HD2 LEU 79 2HD2 LEU 79 -5.135 26.986 13.518 655 3HD2 LEU 79 3HD2 LEU 79 -6.272 26.466 14.779 656 H GLU 80 H GLU 80 -5.200 31.504 11.454 657 HA GLU 80 HA GLU 80 -4.991 33.093 13.893 658 1HB GLU 80 HB2 GLU 80 -3.609 33.275 11.191 659 2HB GLU 80 HB3 GLU 80 -3.182 34.240 12.610 660 1HG GLU 80 HG2 GLU 80 -2.561 32.250 13.875 661 2HG GLU 80 HG3 GLU 80 -3.076 31.187 12.560 662 H GLU 81 H GLU 81 -7.351 33.718 13.573 663 HA GLU 81 HA GLU 81 -8.496 35.221 11.676 664 1HB GLU 81 HB2 GLU 81 -8.850 35.986 14.591 665 2HB GLU 81 HB3 GLU 81 -10.014 36.084 13.264 666 1HG GLU 81 HG2 GLU 81 -9.679 33.461 13.129 667 2HG GLU 81 HG3 GLU 81 -9.029 33.634 14.763 668 H LYS 82 H LYS 82 -6.155 36.503 13.960 669 HA LYS 82 HA LYS 82 -6.322 39.264 13.649 670 1HB LYS 82 HB2 LYS 82 -3.947 37.393 13.977 671 2HB LYS 82 HB3 LYS 82 -3.771 39.146 13.889 672 1HG LYS 82 HG2 LYS 82 -3.779 38.499 16.179 673 2HG LYS 82 HG3 LYS 82 -5.217 39.466 15.840 674 1HD LYS 82 HD2 LYS 82 -6.634 37.472 15.882 675 2HD LYS 82 HD3 LYS 82 -5.200 36.412 15.990 676 1HE LYS 82 HE2 LYS 82 -4.650 37.435 18.195 677 2HE LYS 82 HE3 LYS 82 -6.090 38.464 18.070 678 1HZ LYS 82 HZ1 LYS 82 -7.420 36.477 18.029 679 2HZ LYS 82 HZ2 LYS 82 -6.077 35.528 18.148 680 3HZ LYS 82 HZ3 LYS 82 -6.490 36.530 19.388 681 H ARG 83 H ARG 83 -4.736 36.879 11.478 682 HA ARG 83 HA ARG 83 -3.558 38.655 9.620 683 1HB ARG 83 HB2 ARG 83 -3.114 36.246 9.709 684 2HB ARG 83 HB3 ARG 83 -4.788 35.879 9.292 685 1HG ARG 83 HG2 ARG 83 -3.324 35.515 7.441 686 2HG ARG 83 HG3 ARG 83 -4.522 36.737 7.045 687 1HD ARG 83 HD2 ARG 83 -1.791 37.588 8.073 688 2HD ARG 83 HD3 ARG 83 -1.943 37.066 6.403 689 HE ARG 83 HE ARG 83 -3.025 39.512 7.607 690 1HH1 ARG 83 1HH1 ARG 83 -3.299 37.303 4.851 691 2HH1 ARG 83 2HH1 ARG 83 -4.023 38.502 3.812 692 1HH2 ARG 83 1HH2 ARG 83 -4.034 41.027 6.296 693 2HH2 ARG 83 2HH2 ARG 83 -4.438 40.676 4.643 694 H ARG 84 H ARG 84 -6.757 37.029 9.511 695 HA ARG 84 HA ARG 84 -7.626 38.370 7.152 696 1HB ARG 84 HB2 ARG 84 -9.192 36.940 9.337 697 2HB ARG 84 HB3 ARG 84 -9.880 37.514 7.804 698 1HG ARG 84 HG2 ARG 84 -8.222 36.143 6.564 699 2HG ARG 84 HG3 ARG 84 -7.607 35.481 8.085 700 1HD ARG 84 HD2 ARG 84 -10.490 35.182 7.101 701 2HD ARG 84 HD3 ARG 84 -9.208 34.007 6.878 702 HE ARG 84 HE ARG 84 -9.135 33.466 9.138 703 1HH1 ARG 84 2HH1 ARG 84 -11.592 35.974 8.649 704 2HH1 ARG 84 1HH1 ARG 84 -12.458 35.558 10.105 705 1HH2 ARG 84 1HH2 ARG 84 -10.193 32.931 10.904 706 2HH2 ARG 84 2HH2 ARG 84 -11.596 33.808 11.507 707 H SER 85 H SER 85 -7.979 39.204 10.589 708 HA SER 85 HA SER 85 -9.770 41.398 10.124 709 1HB SER 85 HB2 SER 85 -9.374 42.117 12.314 710 2HB SER 85 HB3 SER 85 -9.265 40.351 12.376 711 HG SER 85 HG SER 85 -6.903 40.748 12.146 712 H ARG 86 H ARG 86 -6.183 41.236 10.251 713 HA ARG 86 HA ARG 86 -5.894 44.056 9.456 714 1HB ARG 86 HB2 ARG 86 -3.823 41.872 9.744 715 2HB ARG 86 HB3 ARG 86 -3.524 43.604 9.534 716 1HG ARG 86 HG2 ARG 86 -4.796 42.222 11.931 717 2HG ARG 86 HG3 ARG 86 -3.235 43.041 11.852 718 1HD ARG 86 HD2 ARG 86 -4.532 45.183 11.347 719 2HD ARG 86 HD3 ARG 86 -6.013 44.306 11.758 720 HE ARG 86 HE ARG 86 -3.952 45.314 13.533 721 1HH1 ARG 86 2HH1 ARG 86 -6.523 42.795 13.326 722 2HH1 ARG 86 1HH1 ARG 86 -6.748 42.785 15.040 723 1HH2 ARG 86 1HH2 ARG 86 -4.249 45.172 15.755 724 2HH2 ARG 86 2HH2 ARG 86 -5.434 44.095 16.440 725 H LEU 87 H LEU 87 -7.476 43.253 7.687 726 HA LEU 87 HA LEU 87 -6.988 41.489 5.744 727 1HB LEU 87 HB2 LEU 87 -8.608 42.543 4.405 728 2HB LEU 87 HB3 LEU 87 -9.065 42.754 6.093 729 HG LEU 87 HG LEU 87 -7.875 44.876 4.240 730 1HD1 LEU 87 1HD1 LEU 87 -10.642 44.572 5.469 731 2HD1 LEU 87 2HD1 LEU 87 -10.096 45.904 4.428 732 3HD1 LEU 87 3HD1 LEU 87 -10.216 44.262 3.771 733 1HD2 LEU 87 1HD2 LEU 87 -8.749 45.114 7.158 734 2HD2 LEU 87 2HD2 LEU 87 -7.118 45.413 6.509 735 3HD2 LEU 87 3HD2 LEU 87 -8.443 46.486 6.075 736 1H LYS 88 H1 LYS 88 3.414 36.588 8.181 737 2H LYS 88 H2 LYS 88 3.764 35.141 7.461 738 3H LYS 88 H3 LYS 88 4.964 36.016 8.161 739 HA LYS 88 HA LYS 88 3.389 36.746 5.848 740 1HB LYS 88 HB2 LYS 88 4.905 38.697 5.603 741 2HB LYS 88 HB3 LYS 88 3.987 38.738 7.110 742 1HG LYS 88 HG2 LYS 88 5.939 37.932 8.373 743 2HG LYS 88 HG3 LYS 88 6.886 37.800 6.875 744 1HD LYS 88 HD2 LYS 88 6.579 40.241 6.478 745 2HD LYS 88 HD3 LYS 88 5.691 40.378 8.001 746 1HE LYS 88 HE2 LYS 88 8.596 39.457 7.715 747 2HE LYS 88 HE3 LYS 88 8.071 41.077 8.196 748 1HZ LYS 88 HZ1 LYS 88 6.999 40.105 10.099 749 2HZ LYS 88 HZ2 LYS 88 7.530 38.602 9.677 750 3HZ LYS 88 HZ3 LYS 88 8.612 39.774 10.085 751 H GLU 89 H GLU 89 4.989 37.211 3.964 752 HA GLU 89 HA GLU 89 5.677 35.368 2.462 753 1HB GLU 89 HB2 GLU 89 7.865 37.381 3.125 754 2HB GLU 89 HB3 GLU 89 7.667 36.477 1.615 755 1HG GLU 89 HG2 GLU 89 5.397 37.569 1.354 756 2HG GLU 89 HG3 GLU 89 5.774 38.576 2.769 757 H LYS 90 H LYS 90 8.475 35.993 4.585 758 HA LYS 90 HA LYS 90 9.781 33.587 3.919 759 1HB LYS 90 HB2 LYS 90 10.901 35.565 4.860 760 2HB LYS 90 HB3 LYS 90 10.065 35.334 6.399 761 1HG LYS 90 HG2 LYS 90 12.376 34.578 6.500 762 2HG LYS 90 HG3 LYS 90 11.273 33.227 6.784 763 1HD LYS 90 HD2 LYS 90 11.676 32.328 4.560 764 2HD LYS 90 HD3 LYS 90 12.479 33.823 4.043 765 1HE LYS 90 HE2 LYS 90 14.140 32.084 4.465 766 2HE LYS 90 HE3 LYS 90 14.333 33.409 5.622 767 1HZ LYS 90 HZ1 LYS 90 13.116 32.062 7.215 768 2HZ LYS 90 HZ2 LYS 90 13.026 30.823 6.126 769 3HZ LYS 90 HZ3 LYS 90 14.487 31.315 6.695 770 H ARG 91 H ARG 91 7.594 34.341 6.598 771 HA ARG 91 HA ARG 91 7.869 31.809 7.993 772 1HB ARG 91 HB2 ARG 91 7.080 33.692 9.225 773 2HB ARG 91 HB3 ARG 91 5.740 33.993 8.120 774 1HG ARG 91 HG2 ARG 91 5.878 31.279 9.381 775 2HG ARG 91 HG3 ARG 91 5.472 32.645 10.412 776 1HD ARG 91 HD2 ARG 91 3.557 33.232 9.163 777 2HD ARG 91 HD3 ARG 91 3.830 32.054 7.865 778 HE ARG 91 HE ARG 91 3.887 30.501 10.110 779 1HH1 ARG 91 1HH2 ARG 91 1.471 32.703 8.793 780 2HH1 ARG 91 2HH2 ARG 91 0.197 32.143 9.864 781 1HH2 ARG 91 2HH1 ARG 91 2.264 29.783 11.489 782 2HH2 ARG 91 1HH1 ARG 91 0.633 30.373 11.370 783 H ILE 92 H ILE 92 5.668 33.178 5.528 784 HA ILE 92 HA ILE 92 3.959 30.909 5.309 785 HB ILE 92 HB ILE 92 4.592 33.309 3.628 786 1HG1 ILE 92 2HG1 ILE 92 2.027 33.150 3.400 787 2HG1 ILE 92 3HG1 ILE 92 2.122 31.849 4.600 788 1HG2 ILE 92 1HG2 ILE 92 4.907 31.687 1.862 789 2HG2 ILE 92 2HG2 ILE 92 3.430 30.824 2.341 790 3HG2 ILE 92 3HG2 ILE 92 3.354 32.471 1.669 791 1HD1 ILE 92 1HD1 ILE 92 3.264 33.492 6.146 792 2HD1 ILE 92 2HD1 ILE 92 2.991 34.730 4.891 793 3HD1 ILE 92 3HD1 ILE 92 1.615 33.952 5.684 794 H LYS 93 H LYS 93 7.005 31.664 3.562 795 HA LYS 93 HA LYS 93 6.969 29.227 2.105 796 1HB LYS 93 HB2 LYS 93 9.246 31.072 2.887 797 2HB LYS 93 HB3 LYS 93 9.472 29.693 1.807 798 1HG LYS 93 HG2 LYS 93 7.254 31.644 1.156 799 2HG LYS 93 HG3 LYS 93 8.918 32.163 0.918 800 1HD LYS 93 HD2 LYS 93 8.021 31.281 -1.150 801 2HD LYS 93 HD3 LYS 93 9.374 30.291 -0.590 802 1HE LYS 93 HE2 LYS 93 7.837 28.542 0.181 803 2HE LYS 93 HE3 LYS 93 6.428 29.571 -0.181 804 1HZ LYS 93 HZ1 LYS 93 6.821 27.955 -1.850 805 2HZ LYS 93 HZ2 LYS 93 7.042 29.464 -2.478 806 3HZ LYS 93 HZ3 LYS 93 8.348 28.517 -2.131 807 H GLU 94 H GLU 94 8.566 30.005 5.230 808 HA GLU 94 HA GLU 94 9.709 27.448 5.670 809 1HB GLU 94 HB2 GLU 94 8.597 29.506 7.619 810 2HB GLU 94 HB3 GLU 94 9.478 28.065 8.125 811 1HG GLU 94 HG2 GLU 94 10.620 30.185 6.244 812 2HG GLU 94 HG3 GLU 94 10.904 30.129 7.983 813 H LEU 95 H LEU 95 6.449 28.639 6.576 814 HA LEU 95 HA LEU 95 5.537 26.291 7.851 815 1HB LEU 95 HB2 LEU 95 4.437 28.485 8.027 816 2HB LEU 95 HB3 LEU 95 4.049 28.449 6.306 817 HG LEU 95 HG LEU 95 2.593 26.436 6.702 818 1HD1 LEU 95 1HD1 LEU 95 3.172 27.076 9.636 819 2HD1 LEU 95 2HD1 LEU 95 1.850 26.037 9.076 820 3HD1 LEU 95 3HD1 LEU 95 3.528 25.549 8.794 821 1HD2 LEU 95 1HD2 LEU 95 1.915 28.919 8.321 822 2HD2 LEU 95 2HD2 LEU 95 1.698 28.731 6.568 823 3HD2 LEU 95 3HD2 LEU 95 0.782 27.704 7.686 824 H GLU 96 H GLU 96 5.165 27.376 4.442 825 HA GLU 96 HA GLU 96 3.773 25.136 3.449 826 1HB GLU 96 HB2 GLU 96 4.031 27.268 2.306 827 2HB GLU 96 HB3 GLU 96 5.754 26.989 2.081 828 1HG GLU 96 HG2 GLU 96 5.221 24.995 0.661 829 2HG GLU 96 HG3 GLU 96 3.494 25.344 0.869 830 H LEU 97 H LEU 97 7.290 25.777 3.660 831 HA LEU 97 HA LEU 97 8.202 23.391 2.459 832 1HB LEU 97 HB2 LEU 97 9.540 25.426 2.666 833 2HB LEU 97 HB3 LEU 97 9.505 25.305 4.427 834 HG LEU 97 HG LEU 97 10.847 23.217 4.325 835 1HD1 LEU 97 1HD1 LEU 97 10.963 23.819 1.331 836 2HD1 LEU 97 2HD1 LEU 97 11.978 22.636 2.182 837 3HD1 LEU 97 3HD1 LEU 97 10.233 22.384 2.082 838 1HD2 LEU 97 1HD2 LEU 97 11.909 25.419 4.616 839 2HD2 LEU 97 2HD2 LEU 97 12.949 24.320 3.692 840 3HD2 LEU 97 3HD2 LEU 97 12.042 25.599 2.854 841 H LEU 98 H LEU 98 7.592 24.181 5.887 842 HA LEU 98 HA LEU 98 8.898 22.260 7.248 843 1HB LEU 98 HB2 LEU 98 7.567 23.988 8.318 844 2HB LEU 98 HB3 LEU 98 6.071 23.267 7.712 845 HG LEU 98 HG LEU 98 6.399 21.282 9.141 846 1HD1 LEU 98 1HD1 LEU 98 8.841 22.790 10.186 847 2HD1 LEU 98 2HD1 LEU 98 8.125 21.346 10.932 848 3HD1 LEU 98 3HD1 LEU 98 8.864 21.233 9.330 849 1HD2 LEU 98 1HD2 LEU 98 5.103 23.225 9.926 850 2HD2 LEU 98 2HD2 LEU 98 5.925 22.407 11.266 851 3HD2 LEU 98 3HD2 LEU 98 6.575 23.932 10.626 852 H LEU 99 H LEU 99 5.682 21.752 5.740 853 HA LEU 99 HA LEU 99 5.353 19.111 6.678 854 1HB LEU 99 HB2 LEU 99 3.677 20.675 5.726 855 2HB LEU 99 HB3 LEU 99 4.241 20.342 4.104 856 HG LEU 99 HG LEU 99 2.136 19.193 4.872 857 1HD1 LEU 99 1HD1 LEU 99 3.331 18.377 2.922 858 2HD1 LEU 99 2HD1 LEU 99 4.332 17.324 3.950 859 3HD1 LEU 99 3HD1 LEU 99 2.599 17.045 3.843 860 1HD2 LEU 99 1HD2 LEU 99 2.984 18.600 7.188 861 2HD2 LEU 99 2HD2 LEU 99 2.191 17.277 6.308 862 3HD2 LEU 99 3HD2 LEU 99 3.958 17.331 6.432 863 H MET 100 H MET 100 7.088 20.386 3.868 864 HA MET 100 HA MET 100 7.478 17.785 2.602 865 1HB MET 100 HB2 MET 100 8.917 20.382 1.970 866 2HB MET 100 HB3 MET 100 8.646 18.977 0.929 867 1HG MET 100 HG2 MET 100 6.142 19.462 1.149 868 2HG MET 100 HG3 MET 100 6.582 20.989 1.921 869 1HE MET 100 HE1 MET 100 5.203 22.195 -1.466 870 2HE MET 100 HE2 MET 100 4.613 20.839 -0.479 871 3HE MET 100 HE3 MET 100 5.131 22.350 0.306 872 H SER 101 H SER 101 9.327 20.033 4.638 873 HA SER 101 HA SER 101 11.852 18.965 4.407 874 1HB SER 101 HB2 SER 101 12.447 19.992 6.461 875 2HB SER 101 HB3 SER 101 11.220 21.024 5.708 876 HG SER 101 HG SER 101 9.686 19.909 7.119 877 H THR 102 H THR 102 9.190 17.534 6.235 878 HA THR 102 HA THR 102 10.236 15.590 7.784 879 HB THR 102 HB THR 102 8.128 15.029 5.638 880 HG1 THR 102 HG1 THR 102 7.111 16.623 6.461 881 1HG2 THR 102 1HG2 THR 102 8.531 14.090 8.512 882 2HG2 THR 102 2HG2 THR 102 7.100 13.739 7.523 883 3HG2 THR 102 3HG2 THR 102 8.687 13.102 7.049 884 H GLU 103 H GLU 103 10.164 15.535 4.187 885 HA GLU 103 HA GLU 103 11.060 12.848 3.852 886 1HB GLU 103 HB2 GLU 103 11.412 15.330 2.087 887 2HB GLU 103 HB3 GLU 103 11.653 13.658 1.550 888 1HG GLU 103 HG2 GLU 103 9.309 13.130 1.961 889 2HG GLU 103 HG3 GLU 103 8.996 14.739 2.624 890 H ASN 104 H ASN 104 12.836 15.812 4.578 891 HA ASN 104 HA ASN 104 15.491 14.613 3.960 892 1HB ASN 104 HB2 ASN 104 14.761 17.278 5.223 893 2HB ASN 104 HB3 ASN 104 16.362 16.757 4.682 894 1HD2 ASN 104 2HD2 ASN 104 14.876 19.130 3.769 895 2HD2 ASN 104 1HD2 ASN 104 14.624 18.897 2.047 896 H GLU 105 H GLU 105 13.514 15.563 6.796 897 HA GLU 105 HA GLU 105 15.382 14.701 8.771 898 1HB GLU 105 HB2 GLU 105 12.338 14.485 8.894 899 2HB GLU 105 HB3 GLU 105 13.461 14.468 10.257 900 1HG GLU 105 HG2 GLU 105 12.904 16.828 8.399 901 2HG GLU 105 HG3 GLU 105 12.431 16.661 10.087 902 H LEU 106 H LEU 106 12.918 12.910 6.977 903 HA LEU 106 HA LEU 106 13.811 10.269 7.995 904 1HB LEU 106 HB2 LEU 106 11.478 11.390 6.443 905 2HB LEU 106 HB3 LEU 106 11.804 9.689 6.346 906 HG LEU 106 HG LEU 106 11.659 9.442 8.802 907 1HD1 LEU 106 1HD1 LEU 106 12.242 11.659 9.637 908 2HD1 LEU 106 2HD1 LEU 106 10.863 12.390 8.774 909 3HD1 LEU 106 3HD1 LEU 106 10.595 11.282 10.134 910 1HD2 LEU 106 1HD2 LEU 106 9.689 9.096 7.340 911 2HD2 LEU 106 2HD2 LEU 106 9.230 9.681 8.949 912 3HD2 LEU 106 3HD2 LEU 106 9.233 10.801 7.575 913 H LYS 107 H LYS 107 15.322 12.102 6.101 914 HA LYS 107 HA LYS 107 15.886 12.251 3.872 915 1HB LYS 107 HB2 LYS 107 17.626 11.798 5.628 916 2HB LYS 107 HB3 LYS 107 17.779 10.190 4.952 917 1HG LYS 107 HG2 LYS 107 18.530 11.007 2.860 918 2HG LYS 107 HG3 LYS 107 17.966 12.653 3.154 919 1HD LYS 107 HD2 LYS 107 20.077 11.505 4.986 920 2HD LYS 107 HD3 LYS 107 20.516 12.044 3.360 921 1HE LYS 107 HE2 LYS 107 20.905 13.864 4.891 922 2HE LYS 107 HE3 LYS 107 19.589 14.294 3.792 923 1HZ LYS 107 HZ1 LYS 107 19.148 14.899 6.062 924 2HZ LYS 107 HZ2 LYS 107 18.041 13.791 5.559 925 3HZ LYS 107 HZ3 LYS 107 19.271 13.333 6.553 926 H GLY 108 H GLY 108 13.925 11.270 2.961 927 1HA GLY 108 HA2 GLY 108 14.487 8.784 1.354 928 2HA GLY 108 HA3 GLY 108 12.900 9.244 1.981 929 H GLN 109 H GLN 109 15.555 10.523 -0.033 930 HA GLN 109 HA GLN 109 13.802 12.343 -1.489 931 1HB GLN 109 HB2 GLN 109 16.765 11.677 -1.643 932 2HB GLN 109 HB3 GLN 109 15.983 12.817 -2.737 933 1HG GLN 109 HG2 GLN 109 17.070 13.990 -0.883 934 2HG GLN 109 HG3 GLN 109 15.324 14.276 -0.940 935 1HE2 GLN 109 2HE2 GLN 109 14.891 14.701 1.299 936 2HE2 GLN 109 1HE2 GLN 109 14.955 13.365 2.424 937 H GLN 110 H GLN 110 13.915 9.083 -1.875 938 HA GLN 110 HA GLN 110 14.276 9.008 -4.804 939 1HB GLN 110 HB2 GLN 110 13.224 6.649 -4.450 940 2HB GLN 110 HB3 GLN 110 14.905 6.993 -4.100 941 1HG GLN 110 HG2 GLN 110 13.780 5.535 -2.425 942 2HG GLN 110 HG3 GLN 110 14.621 6.941 -1.781 943 1HE2 GLN 110 2HE2 GLN 110 11.291 5.784 -2.651 944 2HE2 GLN 110 1HE2 GLN 110 10.526 6.664 -1.326 945 H ALA 111 H ALA 111 12.831 10.810 -5.088 946 HA ALA 111 HA ALA 111 10.276 11.218 -4.542 947 1HB ALA 111 HB1 ALA 111 11.534 12.659 -6.012 948 2HB ALA 111 HB2 ALA 111 11.443 11.475 -7.333 949 3HB ALA 111 HB3 ALA 111 9.966 12.270 -6.746 950 H LEU 112 H LEU 112 11.034 9.240 -7.456 951 HA LEU 112 HA LEU 112 8.651 7.567 -7.086 952 1HB LEU 112 HB2 LEU 112 7.820 9.549 -8.306 953 2HB LEU 112 HB3 LEU 112 9.134 9.398 -9.478 954 HG LEU 112 HG LEU 112 8.189 7.265 -10.303 955 1HD1 LEU 112 1HD1 LEU 112 5.963 7.816 -8.290 956 2HD1 LEU 112 2HD1 LEU 112 5.891 6.599 -9.580 957 3HD1 LEU 112 3HD1 LEU 112 7.064 6.418 -8.273 958 1HD2 LEU 112 1HD2 LEU 112 7.516 9.412 -11.319 959 2HD2 LEU 112 2HD2 LEU 112 6.202 8.225 -11.378 960 3HD2 LEU 112 3HD2 LEU 112 6.160 9.533 -10.177 Start of MODEL 16 1 1H GLY 1 H1 GLY 1 12.466 -2.821 1.511 2 2H GLY 1 H2 GLY 1 11.650 -1.922 2.626 3 3H GLY 1 H3 GLY 1 10.855 -2.528 1.316 4 1HA GLY 1 HA2 GLY 1 13.012 -0.532 1.247 5 2HA GLY 1 HA3 GLY 1 12.145 -1.152 -0.166 6 H VAL 2 H VAL 2 9.732 -0.855 -0.130 7 HA VAL 2 HA VAL 2 9.103 1.913 0.404 8 HB VAL 2 HB VAL 2 6.907 1.328 -0.637 9 1HG1 VAL 2 1HG1 VAL 2 8.773 2.289 -1.909 10 2HG1 VAL 2 2HG1 VAL 2 9.418 0.664 -2.227 11 3HG1 VAL 2 3HG1 VAL 2 7.846 1.148 -2.894 12 1HG2 VAL 2 1HG2 VAL 2 6.619 -0.750 -1.821 13 2HG2 VAL 2 2HG2 VAL 2 8.202 -1.355 -1.320 14 3HG2 VAL 2 3HG2 VAL 2 6.905 -1.158 -0.126 15 H ARG 3 H ARG 3 9.555 1.516 2.749 16 HA ARG 3 HA ARG 3 7.945 -0.084 4.364 17 1HB ARG 3 HB2 ARG 3 8.895 1.099 6.242 18 2HB ARG 3 HB3 ARG 3 10.105 0.838 4.990 19 1HG ARG 3 HG2 ARG 3 9.155 3.367 4.293 20 2HG ARG 3 HG3 ARG 3 8.935 3.363 6.056 21 1HD ARG 3 HD2 ARG 3 11.099 4.271 5.506 22 2HD ARG 3 HD3 ARG 3 11.329 2.689 6.292 23 HE ARG 3 HE ARG 3 11.184 2.317 3.464 24 1HH1 ARG 3 1HH1 ARG 3 13.373 3.740 5.864 25 2HH1 ARG 3 2HH1 ARG 3 14.806 3.400 4.927 26 1HH2 ARG 3 1HH2 ARG 3 12.924 1.820 2.322 27 2HH2 ARG 3 2HH2 ARG 3 14.560 2.260 2.803 28 H LYS 4 H LYS 4 7.162 3.121 3.162 29 HA LYS 4 HA LYS 4 4.644 3.161 4.799 30 1HB LYS 4 HB2 LYS 4 6.079 5.453 3.439 31 2HB LYS 4 HB3 LYS 4 4.566 5.534 4.339 32 1HG LYS 4 HG2 LYS 4 7.259 4.775 5.542 33 2HG LYS 4 HG3 LYS 4 6.542 6.379 5.585 34 1HD LYS 4 HD2 LYS 4 4.543 5.422 6.789 35 2HD LYS 4 HD3 LYS 4 5.399 3.867 6.895 36 1HE LYS 4 HE2 LYS 4 7.205 4.887 8.156 37 2HE LYS 4 HE3 LYS 4 6.516 6.498 7.936 38 1HZ LYS 4 HZ1 LYS 4 6.063 5.612 10.061 39 2HZ LYS 4 HZ2 LYS 4 4.653 5.863 9.239 40 3HZ LYS 4 HZ3 LYS 4 5.238 4.327 9.429 41 H GLY 5 H GLY 5 2.704 3.297 3.647 42 1HA GLY 5 HA2 GLY 5 2.443 2.520 0.971 43 2HA GLY 5 HA3 GLY 5 1.260 3.494 1.862 44 H TRP 6 H TRP 6 2.852 5.770 2.332 45 HA TRP 6 HA TRP 6 2.584 7.121 -0.223 46 1HB TRP 6 HB2 TRP 6 2.992 9.135 1.026 47 2HB TRP 6 HB3 TRP 6 1.820 8.132 1.854 48 HD1 TRP 6 HD1 TRP 6 2.413 7.314 4.281 49 HE1 TRP 6 HE1 TRP 6 4.289 7.898 5.966 50 HE3 TRP 6 HE3 TRP 6 5.579 9.906 1.186 51 HZ2 TRP 6 HZ2 TRP 6 6.852 9.105 5.926 52 HZ3 TRP 6 HZ3 TRP 6 7.741 10.762 2.080 53 HH2 TRP 6 HH2 TRP 6 8.394 10.339 4.403 54 H HIS 7 H HIS 7 5.169 5.316 1.065 55 HA HIS 7 HA HIS 7 7.431 6.859 0.553 56 1HB HIS 7 HB2 HIS 7 7.333 4.590 1.600 57 2HB HIS 7 HB3 HIS 7 7.086 3.870 0.002 58 HD2 HIS 7 HD2 HIS 7 9.494 5.164 -1.661 59 HE1 HIS 7 HE1 HIS 7 12.009 3.997 1.549 60 HE2 HIS 7 HE2 HIS 7 11.950 4.808 -0.857 61 H GLU 8 H GLU 8 5.481 4.851 -1.654 62 HA GLU 8 HA GLU 8 6.985 5.037 -3.971 63 1HB GLU 8 HB2 GLU 8 4.995 4.391 -5.128 64 2HB GLU 8 HB3 GLU 8 4.982 3.603 -3.548 65 1HG GLU 8 HG2 GLU 8 3.455 5.519 -2.744 66 2HG GLU 8 HG3 GLU 8 3.419 6.052 -4.433 67 H HIS 9 H HIS 9 5.029 7.590 -2.490 68 HA HIS 9 HA HIS 9 4.985 9.243 -4.893 69 1HB HIS 9 HB2 HIS 9 4.317 9.992 -2.025 70 2HB HIS 9 HB3 HIS 9 3.848 10.825 -3.507 71 HD2 HIS 9 HD2 HIS 9 2.730 8.277 -5.139 72 HE1 HIS 9 HE1 HIS 9 0.128 7.676 -1.835 73 HE2 HIS 9 HE2 HIS 9 0.601 7.042 -4.256 74 H VAL 10 H VAL 10 6.834 8.982 -1.868 75 HA VAL 10 HA VAL 10 8.511 11.324 -2.676 76 HB VAL 10 HB VAL 10 8.263 10.013 0.023 77 1HG1 VAL 10 1HG1 VAL 10 9.700 12.587 -0.779 78 2HG1 VAL 10 2HG1 VAL 10 9.691 11.807 0.811 79 3HG1 VAL 10 3HG1 VAL 10 10.558 11.064 -0.527 80 1HG2 VAL 10 1HG2 VAL 10 7.230 12.284 0.596 81 2HG2 VAL 10 2HG2 VAL 10 7.281 12.686 -1.113 82 3HG2 VAL 10 3HG2 VAL 10 6.255 11.348 -0.550 83 H THR 11 H THR 11 9.677 10.352 -4.243 84 HA THR 11 HA THR 11 11.055 7.901 -4.114 85 HB THR 11 HB THR 11 12.429 8.967 -5.935 86 HG1 THR 11 HG1 THR 11 11.916 11.112 -6.488 87 1HG2 THR 11 1HG2 THR 11 10.286 7.901 -6.457 88 2HG2 THR 11 2HG2 THR 11 9.439 9.450 -6.233 89 3HG2 THR 11 3HG2 THR 11 10.634 9.266 -7.536 90 H GLN 12 H GLN 12 13.386 7.674 -4.201 91 HA GLN 12 HA GLN 12 14.766 8.516 -1.894 92 1HB GLN 12 HB2 GLN 12 15.872 7.469 -4.511 93 2HB GLN 12 HB3 GLN 12 16.709 7.520 -2.964 94 1HG GLN 12 HG2 GLN 12 14.247 5.870 -3.697 95 2HG GLN 12 HG3 GLN 12 15.862 5.264 -3.351 96 1HE2 GLN 12 2HE2 GLN 12 16.651 6.210 -0.994 97 2HE2 GLN 12 1HE2 GLN 12 15.477 5.869 0.261 98 H ASP 13 H ASP 13 15.020 9.607 -5.296 99 HA ASP 13 HA ASP 13 16.798 11.764 -4.899 100 1HB ASP 13 HB2 ASP 13 15.640 12.683 -6.991 101 2HB ASP 13 HB3 ASP 13 16.465 11.129 -7.108 102 H LEU 14 H LEU 14 13.117 11.799 -4.649 103 HA LEU 14 HA LEU 14 13.121 14.578 -4.082 104 1HB LEU 14 HB2 LEU 14 11.123 13.450 -4.772 105 2HB LEU 14 HB3 LEU 14 11.099 12.463 -3.305 106 HG LEU 14 HG LEU 14 10.552 14.336 -1.933 107 1HD1 LEU 14 1HD1 LEU 14 10.242 16.657 -2.878 108 2HD1 LEU 14 2HD1 LEU 14 11.912 16.160 -2.694 109 3HD1 LEU 14 3HD1 LEU 14 11.168 16.136 -4.301 110 1HD2 LEU 14 1HD2 LEU 14 8.997 14.659 -4.537 111 2HD2 LEU 14 2HD2 LEU 14 8.709 13.388 -3.343 112 3HD2 LEU 14 3HD2 LEU 14 8.433 15.076 -2.907 113 H ARG 15 H ARG 15 13.247 11.748 -1.751 114 HA ARG 15 HA ARG 15 13.341 13.529 0.489 115 1HB ARG 15 HB2 ARG 15 14.224 11.742 1.825 116 2HB ARG 15 HB3 ARG 15 12.767 11.334 0.930 117 1HG ARG 15 HG2 ARG 15 14.293 10.255 -0.777 118 2HG ARG 15 HG3 ARG 15 15.638 10.448 0.360 119 1HD ARG 15 HD2 ARG 15 13.054 8.868 0.732 120 2HD ARG 15 HD3 ARG 15 14.678 8.195 0.501 121 HE ARG 15 HE ARG 15 14.831 9.858 2.753 122 1HH1 ARG 15 1HH2 ARG 15 13.109 6.918 1.802 123 2HH1 ARG 15 2HH2 ARG 15 12.974 6.302 3.425 124 1HH2 ARG 15 1HH1 ARG 15 14.649 9.096 4.856 125 2HH2 ARG 15 2HH1 ARG 15 13.895 7.562 5.210 126 H SER 16 H SER 16 15.963 12.371 -1.647 127 HA SER 16 HA SER 16 18.123 13.511 -0.175 128 1HB SER 16 HB2 SER 16 17.838 13.279 -3.188 129 2HB SER 16 HB3 SER 16 19.329 13.539 -2.294 130 HG SER 16 HG SER 16 17.618 11.273 -2.101 131 H HIS 17 H HIS 17 15.972 14.963 -2.675 132 HA HIS 17 HA HIS 17 17.189 17.538 -2.646 133 1HB HIS 17 HB2 HIS 17 15.692 16.621 -4.403 134 2HB HIS 17 HB3 HIS 17 14.322 16.775 -3.305 135 HD2 HIS 17 HD2 HIS 17 16.589 19.842 -3.138 136 HE1 HIS 17 HE1 HIS 17 13.584 20.733 -6.018 137 HE2 HIS 17 HE2 HIS 17 15.470 21.701 -4.612 138 H LEU 18 H LEU 18 14.513 16.133 -0.703 139 HA LEU 18 HA LEU 18 13.946 18.547 0.744 140 1HB LEU 18 HB2 LEU 18 13.457 15.622 1.289 141 2HB LEU 18 HB3 LEU 18 12.937 16.877 2.430 142 HG LEU 18 HG LEU 18 12.136 16.826 -0.517 143 1HD1 LEU 18 1HD1 LEU 18 10.625 15.814 1.904 144 2HD1 LEU 18 2HD1 LEU 18 9.990 15.885 0.245 145 3HD1 LEU 18 3HD1 LEU 18 11.329 14.786 0.628 146 1HD2 LEU 18 1HD2 LEU 18 11.822 19.040 0.584 147 2HD2 LEU 18 2HD2 LEU 18 10.272 18.258 0.263 148 3HD2 LEU 18 3HD2 LEU 18 10.946 18.242 1.912 149 H VAL 19 H VAL 19 16.120 15.774 1.573 150 HA VAL 19 HA VAL 19 17.253 16.836 3.926 151 HB VAL 19 HB VAL 19 18.392 15.145 1.696 152 1HG1 VAL 19 1HG1 VAL 19 20.372 14.688 2.975 153 2HG1 VAL 19 2HG1 VAL 19 20.343 16.407 2.611 154 3HG1 VAL 19 3HG1 VAL 19 19.895 15.836 4.237 155 1HG2 VAL 19 1HG2 VAL 19 16.782 14.084 3.202 156 2HG2 VAL 19 2HG2 VAL 19 18.386 13.419 3.469 157 3HG2 VAL 19 3HG2 VAL 19 17.719 14.600 4.622 158 H HIS 20 H HIS 20 18.278 17.491 0.527 159 HA HIS 20 HA HIS 20 20.189 19.478 1.096 160 1HB HIS 20 HB2 HIS 20 20.051 18.633 -1.089 161 2HB HIS 20 HB3 HIS 20 18.363 19.054 -1.266 162 HD2 HIS 20 HD2 HIS 20 21.486 20.145 -2.567 163 HE1 HIS 20 HE1 HIS 20 18.978 23.573 -2.789 164 HE2 HIS 20 HE2 HIS 20 21.142 22.522 -3.625 165 H LYS 21 H LYS 21 16.635 20.024 0.516 166 HA LYS 21 HA LYS 21 16.648 22.776 1.080 167 1HB LYS 21 HB2 LYS 21 14.493 20.744 1.738 168 2HB LYS 21 HB3 LYS 21 14.302 22.481 1.905 169 1HG LYS 21 HG2 LYS 21 14.778 21.020 -0.716 170 2HG LYS 21 HG3 LYS 21 13.271 21.660 -0.082 171 1HD LYS 21 HD2 LYS 21 14.319 23.978 -0.025 172 2HD LYS 21 HD3 LYS 21 15.706 23.291 -0.894 173 1HE LYS 21 HE2 LYS 21 14.225 24.354 -2.487 174 2HE LYS 21 HE3 LYS 21 14.196 22.602 -2.744 175 1HZ LYS 21 HZ1 LYS 21 12.116 22.507 -1.609 176 2HZ LYS 21 HZ2 LYS 21 12.148 24.114 -1.253 177 3HZ LYS 21 HZ3 LYS 21 12.029 23.621 -2.819 178 H LEU 22 H LEU 22 16.492 20.066 3.466 179 HA LEU 22 HA LEU 22 16.182 21.748 5.751 180 1HB LEU 22 HB2 LEU 22 17.840 19.211 5.661 181 2HB LEU 22 HB3 LEU 22 17.199 20.021 7.075 182 HG LEU 22 HG LEU 22 15.692 18.437 4.984 183 1HD1 LEU 22 1HD1 LEU 22 16.767 17.272 6.896 184 2HD1 LEU 22 2HD1 LEU 22 15.822 18.283 8.015 185 3HD1 LEU 22 3HD1 LEU 22 15.002 17.139 6.933 186 1HD2 LEU 22 1HD2 LEU 22 14.342 20.407 5.308 187 2HD2 LEU 22 2HD2 LEU 22 13.598 19.074 6.185 188 3HD2 LEU 22 3HD2 LEU 22 14.521 20.298 7.083 189 H VAL 23 H VAL 23 19.199 20.543 4.207 190 HA VAL 23 HA VAL 23 20.971 21.958 5.905 191 HB VAL 23 HB VAL 23 21.439 21.338 2.975 192 1HG1 VAL 23 1HG1 VAL 23 23.835 21.429 3.622 193 2HG1 VAL 23 2HG1 VAL 23 23.057 22.993 3.885 194 3HG1 VAL 23 3HG1 VAL 23 23.388 21.928 5.264 195 1HG2 VAL 23 1HG2 VAL 23 22.646 19.349 3.849 196 2HG2 VAL 23 2HG2 VAL 23 22.094 19.738 5.493 197 3HG2 VAL 23 3HG2 VAL 23 20.929 19.272 4.239 198 H GLN 24 H GLN 24 19.539 23.058 2.763 199 HA GLN 24 HA GLN 24 20.726 25.631 2.802 200 1HB GLN 24 HB2 GLN 24 17.945 24.928 1.756 201 2HB GLN 24 HB3 GLN 24 18.886 26.361 1.339 202 1HG GLN 24 HG2 GLN 24 19.519 23.487 0.597 203 2HG GLN 24 HG3 GLN 24 18.960 24.770 -0.466 204 1HE2 GLN 24 2HE2 GLN 24 21.359 23.119 -0.781 205 2HE2 GLN 24 1HE2 GLN 24 22.697 24.279 -0.771 206 H ALA 25 H ALA 25 17.589 24.615 4.205 207 HA ALA 25 HA ALA 25 16.810 27.215 5.048 208 1HB ALA 25 HB1 ALA 25 15.120 26.061 6.347 209 2HB ALA 25 HB2 ALA 25 15.260 25.312 4.746 210 3HB ALA 25 HB3 ALA 25 15.973 24.508 6.165 211 H ILE 26 H ILE 26 18.631 24.626 6.732 212 HA ILE 26 HA ILE 26 18.862 26.064 9.228 213 HB ILE 26 HB ILE 26 20.406 23.755 7.989 214 1HG1 ILE 26 2HG1 ILE 26 18.306 23.815 10.201 215 2HG1 ILE 26 3HG1 ILE 26 17.920 23.452 8.524 216 1HG2 ILE 26 1HG2 ILE 26 21.261 23.325 10.293 217 2HG2 ILE 26 2HG2 ILE 26 21.842 24.857 9.664 218 3HG2 ILE 26 3HG2 ILE 26 20.512 24.840 10.841 219 1HD1 ILE 26 1HD1 ILE 26 19.520 21.524 8.578 220 2HD1 ILE 26 2HD1 ILE 26 19.676 21.765 10.335 221 3HD1 ILE 26 3HD1 ILE 26 18.103 21.367 9.631 222 H PHE 27 H PHE 27 20.885 25.801 6.290 223 HA PHE 27 HA PHE 27 22.446 28.198 6.899 224 1HB PHE 27 HB2 PHE 27 23.484 26.629 8.426 225 2HB PHE 27 HB3 PHE 27 23.571 25.419 7.150 226 HD1 PHE 27 HD1 PHE 27 25.455 25.274 5.746 227 HD2 PHE 27 HD2 PHE 27 24.833 28.856 8.046 228 HE1 PHE 27 HE1 PHE 27 27.733 26.030 5.157 229 HE2 PHE 27 HE2 PHE 27 27.058 29.694 7.326 230 HZ PHE 27 HZ PHE 27 28.518 28.282 5.890 231 HA PRO 28 HA PRO 28 21.803 27.436 2.410 232 1HB PRO 28 HB2 PRO 28 23.123 30.121 2.480 233 2HB PRO 28 HB3 PRO 28 21.828 29.557 1.385 234 1HG PRO 28 HG2 PRO 28 21.156 31.057 3.534 235 2HG PRO 28 HG3 PRO 28 20.232 29.558 3.210 236 1HD PRO 28 HD2 PRO 28 22.489 29.959 5.190 237 2HD PRO 28 HD3 PRO 28 20.917 29.130 5.415 238 H THR 29 H THR 29 23.234 26.286 1.080 239 HA THR 29 HA THR 29 25.898 25.801 1.980 240 HB THR 29 HB THR 29 26.068 24.597 -0.226 241 HG1 THR 29 HG1 THR 29 24.470 26.103 -1.173 242 1HG2 THR 29 1HG2 THR 29 24.338 22.899 0.320 243 2HG2 THR 29 2HG2 THR 29 25.287 23.391 1.729 244 3HG2 THR 29 3HG2 THR 29 23.636 24.008 1.521 245 HA PRO 30 HA PRO 30 27.747 29.468 -0.024 246 1HB PRO 30 HB2 PRO 30 30.192 27.732 0.353 247 2HB PRO 30 HB3 PRO 30 30.024 29.494 0.600 248 1HG PRO 30 HG2 PRO 30 29.947 27.846 2.747 249 2HG PRO 30 HG3 PRO 30 28.729 29.148 2.600 250 1HD PRO 30 HD2 PRO 30 28.400 26.218 1.915 251 2HD PRO 30 HD3 PRO 30 27.316 27.304 2.833 252 H ASP 31 H ASP 31 28.625 26.083 -0.960 253 HA ASP 31 HA ASP 31 28.038 26.621 -3.738 254 1HB ASP 31 HB2 ASP 31 30.395 27.497 -3.494 255 2HB ASP 31 HB3 ASP 31 30.899 25.907 -2.914 256 HA PRO 32 HA PRO 32 27.024 22.224 -3.232 257 1HB PRO 32 HB2 PRO 32 28.227 22.094 -6.017 258 2HB PRO 32 HB3 PRO 32 26.808 21.209 -5.379 259 1HG PRO 32 HG2 PRO 32 26.404 23.462 -6.813 260 2HG PRO 32 HG3 PRO 32 25.521 23.250 -5.272 261 1HD PRO 32 HD2 PRO 32 27.987 24.905 -5.800 262 2HD PRO 32 HD3 PRO 32 26.543 25.306 -4.828 263 H ALA 33 H ALA 33 30.238 23.026 -4.699 264 HA ALA 33 HA ALA 33 31.578 20.637 -4.070 265 1HB ALA 33 HB1 ALA 33 33.627 21.976 -4.247 266 2HB ALA 33 HB2 ALA 33 32.481 22.424 -5.524 267 3HB ALA 33 HB3 ALA 33 32.688 23.476 -4.104 268 H ALA 34 H ALA 34 30.684 23.335 -1.968 269 HA ALA 34 HA ALA 34 32.527 22.922 0.145 270 1HB ALA 34 HB1 ALA 34 29.665 23.914 0.449 271 2HB ALA 34 HB2 ALA 34 31.065 24.270 1.471 272 3HB ALA 34 HB3 ALA 34 30.997 24.923 -0.178 273 H LEU 35 H LEU 35 29.614 21.142 -0.799 274 HA LEU 35 HA LEU 35 28.956 19.884 1.637 275 1HB LEU 35 HB2 LEU 35 28.819 18.794 -1.187 276 2HB LEU 35 HB3 LEU 35 27.990 18.104 0.207 277 HG LEU 35 HG LEU 35 27.467 20.943 -0.807 278 1HD1 LEU 35 1HD1 LEU 35 25.893 18.376 -1.278 279 2HD1 LEU 35 2HD1 LEU 35 25.417 20.010 -1.789 280 3HD1 LEU 35 3HD1 LEU 35 26.846 19.243 -2.501 281 1HD2 LEU 35 1HD2 LEU 35 25.961 19.171 1.150 282 2HD2 LEU 35 2HD2 LEU 35 26.848 20.661 1.553 283 3HD2 LEU 35 3HD2 LEU 35 25.405 20.737 0.539 284 H LYS 36 H LYS 36 31.790 19.378 -0.403 285 HA LYS 36 HA LYS 36 32.388 16.719 0.522 286 1HB LYS 36 HB2 LYS 36 34.112 18.908 -0.677 287 2HB LYS 36 HB3 LYS 36 34.606 17.227 -0.446 288 1HG LYS 36 HG2 LYS 36 32.794 16.441 -1.900 289 2HG LYS 36 HG3 LYS 36 32.260 18.110 -2.168 290 1HD LYS 36 HD2 LYS 36 34.465 18.686 -3.131 291 2HD LYS 36 HD3 LYS 36 35.004 17.010 -2.931 292 1HE LYS 36 HE2 LYS 36 32.627 17.925 -4.631 293 2HE LYS 36 HE3 LYS 36 34.233 17.514 -5.255 294 1HZ LYS 36 HZ1 LYS 36 33.938 15.301 -4.419 295 2HZ LYS 36 HZ2 LYS 36 32.440 15.670 -3.841 296 3HZ LYS 36 HZ3 LYS 36 32.724 15.695 -5.461 297 H ASP 37 H ASP 37 32.614 19.801 2.147 298 HA ASP 37 HA ASP 37 34.988 18.994 3.716 299 1HB ASP 37 HB2 ASP 37 34.837 21.258 2.756 300 2HB ASP 37 HB3 ASP 37 33.392 21.573 3.731 301 H ARG 38 H ARG 38 34.945 18.422 5.786 302 HA ARG 38 HA ARG 38 33.153 17.350 7.391 303 1HB ARG 38 HB2 ARG 38 34.876 19.486 8.647 304 2HB ARG 38 HB3 ARG 38 34.463 17.885 9.252 305 1HG ARG 38 HG2 ARG 38 36.411 18.598 7.015 306 2HG ARG 38 HG3 ARG 38 36.817 18.061 8.625 307 1HD ARG 38 HD2 ARG 38 36.373 15.860 8.230 308 2HD ARG 38 HD3 ARG 38 35.091 16.157 7.082 309 HE ARG 38 HE ARG 38 38.024 16.197 6.583 310 1HH1 ARG 38 1HH2 ARG 38 34.756 16.152 5.163 311 2HH1 ARG 38 2HH2 ARG 38 35.298 16.472 3.553 312 1HH2 ARG 38 1HH1 ARG 38 38.752 16.350 4.428 313 2HH2 ARG 38 2HH1 ARG 38 37.606 16.382 3.113 314 H ARG 39 H ARG 39 33.540 20.898 7.274 315 HA ARG 39 HA ARG 39 31.697 21.602 9.259 316 1HB ARG 39 HB2 ARG 39 33.304 23.183 8.434 317 2HB ARG 39 HB3 ARG 39 32.697 23.042 6.778 318 1HG ARG 39 HG2 ARG 39 32.040 25.154 7.793 319 2HG ARG 39 HG3 ARG 39 30.660 24.184 7.309 320 1HD ARG 39 HD2 ARG 39 30.441 23.467 9.793 321 2HD ARG 39 HD3 ARG 39 31.758 24.586 10.133 322 HE ARG 39 HE ARG 39 30.277 26.317 10.024 323 1HH1 ARG 39 1HH2 ARG 39 28.790 23.516 8.386 324 2HH1 ARG 39 2HH2 ARG 39 27.348 24.405 7.961 325 1HH2 ARG 39 1HH1 ARG 39 28.326 27.397 9.546 326 2HH2 ARG 39 2HH1 ARG 39 27.100 26.632 8.580 327 H MET 40 H MET 40 31.114 20.901 5.785 328 HA MET 40 HA MET 40 28.254 21.568 6.049 329 1HB MET 40 HB2 MET 40 30.029 20.610 3.794 330 2HB MET 40 HB3 MET 40 28.270 20.659 3.659 331 1HG MET 40 HG2 MET 40 29.577 23.168 4.653 332 2HG MET 40 HG3 MET 40 29.872 22.712 2.981 333 1HE MET 40 HE1 MET 40 26.385 21.871 4.645 334 2HE MET 40 HE2 MET 40 26.883 23.340 5.532 335 3HE MET 40 HE3 MET 40 25.536 23.401 4.369 336 H GLU 41 H GLU 41 30.388 18.744 5.554 337 HA GLU 41 HA GLU 41 28.501 16.774 5.221 338 1HB GLU 41 HB2 GLU 41 31.127 16.632 6.714 339 2HB GLU 41 HB3 GLU 41 30.158 15.210 6.310 340 1HG GLU 41 HG2 GLU 41 30.265 15.726 3.915 341 2HG GLU 41 HG3 GLU 41 31.210 17.182 4.229 342 H ASN 42 H ASN 42 29.493 18.179 8.326 343 HA ASN 42 HA ASN 42 27.948 16.470 10.020 344 1HB ASN 42 HB2 ASN 42 28.838 19.369 10.275 345 2HB ASN 42 HB3 ASN 42 27.779 18.624 11.476 346 1HD2 ASN 42 2HD2 ASN 42 31.029 18.299 9.965 347 2HD2 ASN 42 1HD2 ASN 42 31.694 17.405 11.327 348 H LEU 43 H LEU 43 26.897 19.397 8.198 349 HA LEU 43 HA LEU 43 24.221 19.334 9.391 350 1HB LEU 43 HB2 LEU 43 25.378 20.891 7.043 351 2HB LEU 43 HB3 LEU 43 23.674 20.887 7.493 352 HG LEU 43 HG LEU 43 24.298 21.670 9.812 353 1HD1 LEU 43 1HD1 LEU 43 26.692 21.127 9.888 354 2HD1 LEU 43 2HD1 LEU 43 26.947 22.059 8.393 355 3HD1 LEU 43 3HD1 LEU 43 26.525 22.884 9.917 356 1HD2 LEU 43 1HD2 LEU 43 24.565 24.002 9.076 357 2HD2 LEU 43 2HD2 LEU 43 25.044 23.453 7.454 358 3HD2 LEU 43 3HD2 LEU 43 23.394 23.151 8.052 359 H VAL 44 H VAL 44 25.790 18.284 6.353 360 HA VAL 44 HA VAL 44 23.469 17.313 5.030 361 HB VAL 44 HB VAL 44 26.314 16.272 4.990 362 1HG1 VAL 44 1HG1 VAL 44 24.824 14.550 4.089 363 2HG1 VAL 44 2HG1 VAL 44 24.019 15.754 3.056 364 3HG1 VAL 44 3HG1 VAL 44 25.716 15.316 2.772 365 1HG2 VAL 44 1HG2 VAL 44 26.548 17.599 2.930 366 2HG2 VAL 44 2HG2 VAL 44 24.870 18.161 3.079 367 3HG2 VAL 44 3HG2 VAL 44 26.094 18.673 4.249 368 H ALA 45 H ALA 45 25.698 15.625 7.281 369 HA ALA 45 HA ALA 45 24.336 13.170 7.414 370 1HB ALA 45 HB1 ALA 45 26.049 14.530 9.528 371 2HB ALA 45 HB2 ALA 45 25.599 12.813 9.489 372 3HB ALA 45 HB3 ALA 45 26.622 13.491 8.207 373 H TYR 46 H TYR 46 24.113 15.990 9.673 374 HA TYR 46 HA TYR 46 22.076 14.980 11.343 375 1HB TYR 46 HB2 TYR 46 23.323 17.021 11.847 376 2HB TYR 46 HB3 TYR 46 22.683 17.821 10.416 377 HD1 TYR 46 HD1 TYR 46 20.466 18.802 10.379 378 HD2 TYR 46 HD2 TYR 46 21.794 16.525 13.794 379 HE1 TYR 46 HE1 TYR 46 18.474 19.536 11.642 380 HE2 TYR 46 HE2 TYR 46 19.825 17.320 15.079 381 HH TYR 46 HH TYR 46 17.527 19.690 13.744 382 H ALA 47 H ALA 47 21.745 16.870 8.305 383 HA ALA 47 HA ALA 47 18.919 16.975 8.310 384 1HB ALA 47 HB1 ALA 47 19.200 17.434 5.861 385 2HB ALA 47 HB2 ALA 47 20.226 18.444 6.901 386 3HB ALA 47 HB3 ALA 47 20.928 17.073 6.020 387 H LYS 48 H LYS 48 21.151 14.580 6.773 388 HA LYS 48 HA LYS 48 19.144 12.894 5.676 389 1HB LYS 48 HB2 LYS 48 21.950 12.335 6.698 390 2HB LYS 48 HB3 LYS 48 20.913 11.073 6.018 391 1HG LYS 48 HG2 LYS 48 20.681 12.311 3.927 392 2HG LYS 48 HG3 LYS 48 21.675 13.636 4.567 393 1HD LYS 48 HD2 LYS 48 23.605 12.158 4.787 394 2HD LYS 48 HD3 LYS 48 22.660 10.760 4.250 395 1HE LYS 48 HE2 LYS 48 23.134 13.260 2.551 396 2HE LYS 48 HE3 LYS 48 24.130 11.799 2.466 397 1HZ LYS 48 HZ1 LYS 48 22.447 11.811 0.794 398 2HZ LYS 48 HZ2 LYS 48 22.192 10.566 1.841 399 3HZ LYS 48 HZ3 LYS 48 21.248 11.914 1.916 400 H LYS 49 H LYS 49 20.722 12.726 8.898 401 HA LYS 49 HA LYS 49 19.276 10.542 9.937 402 1HB LYS 49 HB2 LYS 49 20.527 12.985 11.216 403 2HB LYS 49 HB3 LYS 49 19.781 11.722 12.182 404 1HG LYS 49 HG2 LYS 49 21.302 10.053 11.272 405 2HG LYS 49 HG3 LYS 49 22.026 11.240 10.173 406 1HD LYS 49 HD2 LYS 49 22.765 12.605 12.105 407 2HD LYS 49 HD3 LYS 49 22.069 11.427 13.228 408 1HE LYS 49 HE2 LYS 49 24.299 10.843 11.214 409 2HE LYS 49 HE3 LYS 49 24.543 11.193 12.931 410 1HZ LYS 49 HZ1 LYS 49 24.550 8.865 12.530 411 2HZ LYS 49 HZ2 LYS 49 23.247 9.259 13.458 412 3HZ LYS 49 HZ3 LYS 49 23.047 8.908 11.860 413 H VAL 50 H VAL 50 18.499 14.045 10.290 414 HA VAL 50 HA VAL 50 16.129 13.492 11.732 415 HB VAL 50 HB VAL 50 17.684 15.711 11.365 416 1HG1 VAL 50 1HG1 VAL 50 16.354 17.537 10.533 417 2HG1 VAL 50 2HG1 VAL 50 16.628 16.356 9.238 418 3HG1 VAL 50 3HG1 VAL 50 15.042 16.448 10.056 419 1HG2 VAL 50 1HG2 VAL 50 14.862 15.636 12.468 420 2HG2 VAL 50 2HG2 VAL 50 16.344 15.153 13.330 421 3HG2 VAL 50 3HG2 VAL 50 16.126 16.837 12.834 422 H GLU 51 H GLU 51 16.597 14.235 8.208 423 HA GLU 51 HA GLU 51 13.874 14.135 7.515 424 1HB GLU 51 HB2 GLU 51 15.658 14.957 6.076 425 2HB GLU 51 HB3 GLU 51 16.348 13.333 5.961 426 1HG GLU 51 HG2 GLU 51 13.471 13.918 5.150 427 2HG GLU 51 HG3 GLU 51 14.785 14.239 4.033 428 H GLY 52 H GLY 52 16.324 11.517 7.787 429 1HA GLY 52 HA2 GLY 52 14.789 9.279 7.134 430 2HA GLY 52 HA3 GLY 52 16.065 9.325 8.364 431 H ASP 53 H ASP 53 15.233 10.696 10.414 432 HA ASP 53 HA ASP 53 13.412 9.132 11.819 433 1HB ASP 53 HB2 ASP 53 14.947 10.733 12.879 434 2HB ASP 53 HB3 ASP 53 13.994 12.086 12.245 435 H MET 54 H MET 54 12.690 12.253 10.141 436 HA MET 54 HA MET 54 9.894 12.159 10.737 437 1HB MET 54 HB2 MET 54 11.276 13.493 8.378 438 2HB MET 54 HB3 MET 54 9.611 13.750 8.887 439 1HG MET 54 HG2 MET 54 12.136 14.522 10.359 440 2HG MET 54 HG3 MET 54 10.822 15.543 9.789 441 1HE MET 54 HE1 MET 54 10.809 16.836 11.790 442 2HE MET 54 HE2 MET 54 10.671 16.253 13.480 443 3HE MET 54 HE3 MET 54 12.140 15.891 12.523 444 H TYR 55 H TYR 55 11.703 10.860 7.925 445 HA TYR 55 HA TYR 55 9.437 10.106 6.422 446 1HB TYR 55 HB2 TYR 55 11.979 10.124 5.839 447 2HB TYR 55 HB3 TYR 55 11.999 8.486 6.465 448 HD1 TYR 55 HD1 TYR 55 11.332 10.598 3.640 449 HD2 TYR 55 HD2 TYR 55 10.312 6.785 5.360 450 HE1 TYR 55 HE1 TYR 55 10.756 9.767 1.407 451 HE2 TYR 55 HE2 TYR 55 9.523 6.026 3.135 452 HH TYR 55 HH TYR 55 9.959 7.998 0.130 453 H GLU 56 H GLU 56 11.294 8.307 8.905 454 HA GLU 56 HA GLU 56 9.672 5.944 8.768 455 1HB GLU 56 HB2 GLU 56 11.486 7.018 10.947 456 2HB GLU 56 HB3 GLU 56 10.855 5.373 10.864 457 1HG GLU 56 HG2 GLU 56 12.670 6.639 8.766 458 2HG GLU 56 HG3 GLU 56 13.201 5.567 10.039 459 H SER 57 H SER 57 9.498 8.896 10.796 460 HA SER 57 HA SER 57 7.429 7.861 12.518 461 1HB SER 57 HB2 SER 57 8.218 10.756 11.951 462 2HB SER 57 HB3 SER 57 7.250 10.165 13.312 463 HG SER 57 HG SER 57 9.967 9.575 12.725 464 H ALA 58 H ALA 58 7.354 9.934 9.623 465 HA ALA 58 HA ALA 58 4.700 10.855 9.875 466 1HB ALA 58 HB1 ALA 58 6.312 12.044 8.612 467 2HB ALA 58 HB2 ALA 58 6.557 10.680 7.504 468 3HB ALA 58 HB3 ALA 58 5.000 11.536 7.527 469 H ASN 59 H ASN 59 2.867 9.679 9.716 470 HA ASN 59 HA ASN 59 2.774 7.182 8.096 471 1HB ASN 59 HB2 ASN 59 1.015 8.409 10.225 472 2HB ASN 59 HB3 ASN 59 0.432 7.123 9.171 473 1HD2 ASN 59 2HD2 ASN 59 3.585 7.659 11.075 474 2HD2 ASN 59 1HD2 ASN 59 3.489 6.044 11.719 475 H SER 60 H SER 60 2.901 10.088 6.966 476 HA SER 60 HA SER 60 1.308 9.531 4.682 477 1HB SER 60 HB2 SER 60 -0.606 10.313 5.894 478 2HB SER 60 HB3 SER 60 0.292 11.682 6.582 479 HG SER 60 HG SER 60 -1.109 12.104 4.685 480 H ARG 61 H ARG 61 1.903 10.914 3.000 481 HA ARG 61 HA ARG 61 4.422 12.245 3.052 482 1HB ARG 61 HB2 ARG 61 3.433 11.408 1.016 483 2HB ARG 61 HB3 ARG 61 2.031 12.483 1.181 484 1HG ARG 61 HG2 ARG 61 3.442 14.454 0.849 485 2HG ARG 61 HG3 ARG 61 4.909 13.452 0.867 486 1HD ARG 61 HD2 ARG 61 4.105 12.240 -1.078 487 2HD ARG 61 HD3 ARG 61 2.645 13.222 -1.145 488 HE ARG 61 HE ARG 61 4.103 15.240 -1.421 489 1HH1 ARG 61 1HH2 ARG 61 5.310 12.117 -2.578 490 2HH1 ARG 61 2HH2 ARG 61 6.152 12.770 -3.938 491 1HH2 ARG 61 1HH1 ARG 61 5.160 16.116 -3.142 492 2HH2 ARG 61 2HH1 ARG 61 6.107 15.136 -4.248 493 H ASP 62 H ASP 62 1.061 13.348 3.469 494 HA ASP 62 HA ASP 62 1.542 16.156 3.561 495 1HB ASP 62 HB2 ASP 62 -0.700 15.219 3.359 496 2HB ASP 62 HB3 ASP 62 -0.575 14.504 4.976 497 H GLU 63 H GLU 63 1.480 13.710 6.173 498 HA GLU 63 HA GLU 63 2.149 15.470 8.314 499 1HB GLU 63 HB2 GLU 63 1.267 13.228 8.706 500 2HB GLU 63 HB3 GLU 63 2.734 12.478 8.040 501 1HG GLU 63 HG2 GLU 63 4.093 13.302 9.817 502 2HG GLU 63 HG3 GLU 63 2.818 14.360 10.428 503 H TYR 64 H TYR 64 4.201 13.335 6.291 504 HA TYR 64 HA TYR 64 6.720 13.949 7.261 505 1HB TYR 64 HB2 TYR 64 6.314 12.199 5.676 506 2HB TYR 64 HB3 TYR 64 5.741 13.336 4.482 507 HD1 TYR 64 HD1 TYR 64 8.831 12.592 6.493 508 HD2 TYR 64 HD2 TYR 64 7.140 13.994 2.781 509 HE1 TYR 64 HE1 TYR 64 11.070 12.510 5.443 510 HE2 TYR 64 HE2 TYR 64 9.350 13.866 1.725 511 HH TYR 64 HH TYR 64 12.227 12.642 3.437 512 H TYR 65 H TYR 65 5.035 15.748 4.610 513 HA TYR 65 HA TYR 65 7.047 17.783 4.417 514 1HB TYR 65 HB2 TYR 65 4.200 17.462 3.523 515 2HB TYR 65 HB3 TYR 65 4.818 19.097 3.649 516 HD1 TYR 65 HD1 TYR 65 6.663 19.916 2.320 517 HD2 TYR 65 HD2 TYR 65 5.246 15.887 1.832 518 HE1 TYR 65 HE1 TYR 65 7.841 19.767 0.135 519 HE2 TYR 65 HE2 TYR 65 6.510 15.693 -0.287 520 HH TYR 65 HH TYR 65 8.008 16.717 -1.695 521 H HIS 66 H HIS 66 3.958 17.741 6.283 522 HA HIS 66 HA HIS 66 4.183 20.291 7.410 523 1HB HIS 66 HB2 HIS 66 2.138 19.057 7.582 524 2HB HIS 66 HB3 HIS 66 2.913 17.784 8.530 525 HD2 HIS 66 HD2 HIS 66 3.307 18.181 11.110 526 HE1 HIS 66 HE1 HIS 66 2.151 22.263 11.343 527 HE2 HIS 66 HE2 HIS 66 2.991 20.255 12.665 528 H LEU 67 H LEU 67 5.201 17.230 9.092 529 HA LEU 67 HA LEU 67 6.285 18.844 11.207 530 1HB LEU 67 HB2 LEU 67 7.294 16.725 12.106 531 2HB LEU 67 HB3 LEU 67 5.548 16.927 12.082 532 HG LEU 67 HG LEU 67 5.265 15.392 10.293 533 1HD1 LEU 67 1HD1 LEU 67 8.303 15.425 10.143 534 2HD1 LEU 67 2HD1 LEU 67 7.330 14.125 9.423 535 3HD1 LEU 67 3HD1 LEU 67 7.137 15.796 8.873 536 1HD2 LEU 67 1HD2 LEU 67 6.062 13.315 11.252 537 2HD2 LEU 67 2HD2 LEU 67 7.236 14.198 12.254 538 3HD2 LEU 67 3HD2 LEU 67 5.482 14.409 12.521 539 H LEU 68 H LEU 68 7.768 17.744 8.195 540 HA LEU 68 HA LEU 68 10.448 18.360 9.108 541 1HB LEU 68 HB2 LEU 68 9.158 18.223 6.359 542 2HB LEU 68 HB3 LEU 68 10.808 18.810 6.562 543 HG LEU 68 HG LEU 68 9.920 16.086 7.572 544 1HD1 LEU 68 1HD1 LEU 68 11.196 15.249 5.579 545 2HD1 LEU 68 2HD1 LEU 68 9.689 16.090 5.143 546 3HD1 LEU 68 3HD1 LEU 68 11.255 16.904 4.945 547 1HD2 LEU 68 1HD2 LEU 68 12.079 17.112 8.575 548 2HD2 LEU 68 2HD2 LEU 68 12.284 15.610 7.682 549 3HD2 LEU 68 3HD2 LEU 68 12.702 17.147 6.920 550 H ALA 69 H ALA 69 7.974 20.292 7.310 551 HA ALA 69 HA ALA 69 9.479 22.710 7.275 552 1HB ALA 69 HB1 ALA 69 6.462 22.312 7.442 553 2HB ALA 69 HB2 ALA 69 7.294 23.809 6.964 554 3HB ALA 69 HB3 ALA 69 7.439 22.355 5.956 555 H GLU 70 H GLU 70 7.201 21.431 9.738 556 HA GLU 70 HA GLU 70 7.450 23.601 11.538 557 1HB GLU 70 HB2 GLU 70 5.697 21.803 11.585 558 2HB GLU 70 HB3 GLU 70 6.919 20.690 12.245 559 1HG GLU 70 HG2 GLU 70 7.230 22.154 14.199 560 2HG GLU 70 HG3 GLU 70 6.082 23.321 13.525 561 H LYS 71 H LYS 71 9.422 20.568 11.251 562 HA LYS 71 HA LYS 71 11.056 21.032 13.495 563 1HB LYS 71 HB2 LYS 71 10.947 18.938 12.387 564 2HB LYS 71 HB3 LYS 71 11.603 19.595 10.885 565 1HG LYS 71 HG2 LYS 71 13.223 18.258 12.098 566 2HG LYS 71 HG3 LYS 71 13.777 19.927 11.931 567 1HD LYS 71 HD2 LYS 71 13.304 20.426 14.207 568 2HD LYS 71 HD3 LYS 71 12.337 18.945 14.416 569 1HE LYS 71 HE2 LYS 71 14.311 17.549 14.260 570 2HE LYS 71 HE3 LYS 71 15.324 18.941 13.835 571 1HZ LYS 71 HZ1 LYS 71 15.570 18.378 16.109 572 2HZ LYS 71 HZ2 LYS 71 14.844 19.852 15.999 573 3HZ LYS 71 HZ3 LYS 71 13.952 18.522 16.393 574 H ILE 72 H ILE 72 11.584 21.984 10.052 575 HA ILE 72 HA ILE 72 13.987 23.456 10.378 576 HB ILE 72 HB ILE 72 11.586 23.925 8.572 577 1HG1 ILE 72 2HG1 ILE 72 14.302 22.735 7.924 578 2HG1 ILE 72 3HG1 ILE 72 12.830 21.794 8.253 579 1HG2 ILE 72 1HG2 ILE 72 14.304 25.292 8.502 580 2HG2 ILE 72 2HG2 ILE 72 13.063 25.372 7.213 581 3HG2 ILE 72 3HG2 ILE 72 12.729 26.049 8.788 582 1HD1 ILE 72 1HD1 ILE 72 11.703 23.163 6.392 583 2HD1 ILE 72 2HD1 ILE 72 13.356 23.595 5.883 584 3HD1 ILE 72 3HD1 ILE 72 12.848 21.902 5.944 585 H TYR 73 H TYR 73 10.607 24.598 10.546 586 HA TYR 73 HA TYR 73 11.009 27.268 11.185 587 1HB TYR 73 HB2 TYR 73 8.893 26.101 10.606 588 2HB TYR 73 HB3 TYR 73 8.815 25.468 12.232 589 HD1 TYR 73 HD1 TYR 73 8.452 27.099 14.156 590 HD2 TYR 73 HD2 TYR 73 8.276 28.282 10.000 591 HE1 TYR 73 HE1 TYR 73 6.943 28.987 14.743 592 HE2 TYR 73 HE2 TYR 73 6.706 30.026 10.566 593 HH TYR 73 HH TYR 73 5.426 31.031 12.241 594 H LYS 74 H LYS 74 10.552 24.557 13.433 595 HA LYS 74 HA LYS 74 11.008 26.000 15.831 596 1HB LYS 74 HB2 LYS 74 11.500 23.064 15.175 597 2HB LYS 74 HB3 LYS 74 11.602 23.712 16.808 598 1HG LYS 74 HG2 LYS 74 9.060 24.271 15.298 599 2HG LYS 74 HG3 LYS 74 9.370 22.604 15.780 600 1HD LYS 74 HD2 LYS 74 8.032 23.656 17.467 601 2HD LYS 74 HD3 LYS 74 9.626 23.305 18.147 602 1HE LYS 74 HE2 LYS 74 10.277 25.662 17.924 603 2HE LYS 74 HE3 LYS 74 8.766 26.034 17.062 604 1HZ LYS 74 HZ1 LYS 74 7.585 25.469 19.054 605 2HZ LYS 74 HZ2 LYS 74 8.990 25.113 19.842 606 3HZ LYS 74 HZ3 LYS 74 8.687 26.657 19.354 607 H ILE 75 H ILE 75 13.455 24.134 13.862 608 HA ILE 75 HA ILE 75 15.694 24.761 15.537 609 HB ILE 75 HB ILE 75 15.545 24.463 12.501 610 1HG1 ILE 75 2HG1 ILE 75 16.462 22.471 14.635 611 2HG1 ILE 75 3HG1 ILE 75 14.842 22.471 13.952 612 1HG2 ILE 75 1HG2 ILE 75 17.605 25.679 13.146 613 2HG2 ILE 75 2HG2 ILE 75 17.964 24.440 14.366 614 3HG2 ILE 75 3HG2 ILE 75 18.002 24.048 12.638 615 1HD1 ILE 75 1HD1 ILE 75 16.034 20.844 12.720 616 2HD1 ILE 75 2HD1 ILE 75 15.866 22.235 11.643 617 3HD1 ILE 75 3HD1 ILE 75 17.418 21.909 12.452 618 H GLN 76 H GLN 76 14.479 26.657 12.703 619 HA GLN 76 HA GLN 76 16.269 28.816 13.073 620 1HB GLN 76 HB2 GLN 76 13.483 28.575 11.905 621 2HB GLN 76 HB3 GLN 76 14.268 30.146 11.983 622 1HG GLN 76 HG2 GLN 76 15.455 27.692 10.572 623 2HG GLN 76 HG3 GLN 76 14.600 29.022 9.791 624 1HE2 GLN 76 2HE2 GLN 76 17.294 28.454 8.986 625 2HE2 GLN 76 1HE2 GLN 76 18.243 29.809 9.535 626 H LYS 77 H LYS 77 12.909 28.589 14.325 627 HA LYS 77 HA LYS 77 12.953 31.024 15.764 628 1HB LYS 77 HB2 LYS 77 11.341 28.474 16.082 629 2HB LYS 77 HB3 LYS 77 11.020 29.905 17.033 630 1HG LYS 77 HG2 LYS 77 10.758 29.652 14.016 631 2HG LYS 77 HG3 LYS 77 9.487 29.835 15.217 632 1HD LYS 77 HD2 LYS 77 9.562 32.015 14.621 633 2HD LYS 77 HD3 LYS 77 10.895 32.092 15.770 634 1HE LYS 77 HE2 LYS 77 12.440 31.566 13.701 635 2HE LYS 77 HE3 LYS 77 10.999 31.819 12.721 636 1HZ LYS 77 HZ1 LYS 77 10.869 34.036 13.698 637 2HZ LYS 77 HZ2 LYS 77 12.284 33.770 14.507 638 3HZ LYS 77 HZ3 LYS 77 12.268 33.779 12.865 639 H GLU 78 H GLU 78 13.504 27.764 17.058 640 HA GLU 78 HA GLU 78 13.983 28.585 19.736 641 1HB GLU 78 HB2 GLU 78 14.952 26.131 18.214 642 2HB GLU 78 HB3 GLU 78 15.056 26.345 19.972 643 1HG GLU 78 HG2 GLU 78 12.454 26.327 18.402 644 2HG GLU 78 HG3 GLU 78 13.108 24.963 19.309 645 H LEU 79 H LEU 79 16.252 27.906 17.028 646 HA LEU 79 HA LEU 79 18.594 28.266 18.586 647 1HB LEU 79 HB2 LEU 79 18.284 26.968 16.508 648 2HB LEU 79 HB3 LEU 79 18.188 28.485 15.589 649 HG LEU 79 HG LEU 79 20.522 28.928 15.990 650 1HD1 LEU 79 1HD1 LEU 79 20.457 26.470 17.807 651 2HD1 LEU 79 2HD1 LEU 79 21.943 27.243 17.216 652 3HD1 LEU 79 3HD1 LEU 79 20.854 28.140 18.279 653 1HD2 LEU 79 1HD2 LEU 79 19.921 26.005 15.280 654 2HD2 LEU 79 2HD2 LEU 79 19.861 27.381 14.173 655 3HD2 LEU 79 3HD2 LEU 79 21.421 26.868 14.851 656 H GLU 80 H GLU 80 16.702 30.476 16.513 657 HA GLU 80 HA GLU 80 18.368 32.792 16.833 658 1HB GLU 80 HB2 GLU 80 16.706 32.567 15.073 659 2HB GLU 80 HB3 GLU 80 15.396 32.428 16.252 660 1HG GLU 80 HG2 GLU 80 15.780 34.758 16.986 661 2HG GLU 80 HG3 GLU 80 17.128 34.899 15.841 662 H GLU 81 H GLU 81 15.304 31.851 18.488 663 HA GLU 81 HA GLU 81 15.521 34.101 20.313 664 1HB GLU 81 HB2 GLU 81 13.481 31.875 20.146 665 2HB GLU 81 HB3 GLU 81 13.346 33.339 21.125 666 1HG GLU 81 HG2 GLU 81 13.497 34.734 19.042 667 2HG GLU 81 HG3 GLU 81 13.526 33.261 18.068 668 H LYS 82 H LYS 82 17.698 33.014 20.913 669 HA LYS 82 HA LYS 82 17.900 31.040 22.902 670 1HB LYS 82 HB2 LYS 82 19.442 33.653 22.602 671 2HB LYS 82 HB3 LYS 82 19.918 32.296 23.640 672 1HG LYS 82 HG2 LYS 82 19.950 30.794 21.630 673 2HG LYS 82 HG3 LYS 82 19.587 32.186 20.600 674 1HD LYS 82 HD2 LYS 82 21.673 33.304 21.408 675 2HD LYS 82 HD3 LYS 82 22.057 31.843 22.348 676 1HE LYS 82 HE2 LYS 82 21.988 30.507 20.213 677 2HE LYS 82 HE3 LYS 82 21.669 31.997 19.314 678 1HZ LYS 82 HZ1 LYS 82 24.079 31.414 20.890 679 2HZ LYS 82 HZ2 LYS 82 23.962 31.450 19.246 680 3HZ LYS 82 HZ3 LYS 82 23.774 32.837 20.115 681 H ARG 83 H ARG 83 16.828 34.376 23.119 682 HA ARG 83 HA ARG 83 16.438 34.977 25.755 683 1HB ARG 83 HB2 ARG 83 15.700 36.281 23.735 684 2HB ARG 83 HB3 ARG 83 14.365 35.131 23.538 685 1HG ARG 83 HG2 ARG 83 13.546 35.842 25.855 686 2HG ARG 83 HG3 ARG 83 14.833 37.057 25.849 687 1HD ARG 83 HD2 ARG 83 12.843 38.149 25.142 688 2HD ARG 83 HD3 ARG 83 13.814 37.984 23.690 689 HE ARG 83 HE ARG 83 11.314 36.576 24.464 690 1HH1 ARG 83 2HH1 ARG 83 13.836 36.853 21.971 691 2HH1 ARG 83 1HH1 ARG 83 12.857 36.079 20.750 692 1HH2 ARG 83 1HH2 ARG 83 10.074 35.596 22.847 693 2HH2 ARG 83 2HH2 ARG 83 10.747 35.312 21.259 694 H ARG 84 H ARG 84 14.444 32.684 23.814 695 HA ARG 84 HA ARG 84 12.839 31.929 26.182 696 1HB ARG 84 HB2 ARG 84 12.735 30.974 23.292 697 2HB ARG 84 HB3 ARG 84 11.623 30.543 24.606 698 1HG ARG 84 HG2 ARG 84 11.071 32.992 24.812 699 2HG ARG 84 HG3 ARG 84 12.032 33.302 23.362 700 1HD ARG 84 HD2 ARG 84 9.611 31.428 23.492 701 2HD ARG 84 HD3 ARG 84 9.585 33.081 22.908 702 HE ARG 84 HE ARG 84 10.648 32.523 20.958 703 1HH1 ARG 84 2HH2 ARG 84 10.540 29.640 23.047 704 2HH1 ARG 84 1HH2 ARG 84 10.982 28.562 21.739 705 1HH2 ARG 84 2HH1 ARG 84 11.200 31.056 19.286 706 2HH2 ARG 84 1HH1 ARG 84 11.363 29.345 19.662 707 H SER 85 H SER 85 14.801 30.326 23.658 708 HA SER 85 HA SER 85 14.690 27.799 24.723 709 1HB SER 85 HB2 SER 85 17.000 28.909 23.106 710 2HB SER 85 HB3 SER 85 16.403 27.237 23.138 711 HG SER 85 HG SER 85 15.634 28.927 21.441 712 H ARG 86 H ARG 86 16.858 30.352 25.829 713 HA ARG 86 HA ARG 86 18.438 28.391 27.437 714 1HB ARG 86 HB2 ARG 86 19.006 31.304 26.920 715 2HB ARG 86 HB3 ARG 86 20.082 30.107 27.643 716 1HG ARG 86 HG2 ARG 86 19.071 30.088 24.767 717 2HG ARG 86 HG3 ARG 86 20.659 30.630 25.303 718 1HD ARG 86 HD2 ARG 86 21.155 28.293 26.090 719 2HD ARG 86 HD3 ARG 86 19.555 27.794 25.542 720 HE ARG 86 HE ARG 86 20.246 27.708 23.396 721 1HH1 ARG 86 1HH1 ARG 86 22.628 29.579 25.206 722 2HH1 ARG 86 2HH1 ARG 86 23.774 29.668 23.896 723 1HH2 ARG 86 2HH2 ARG 86 21.710 27.830 21.664 724 2HH2 ARG 86 1HH2 ARG 86 23.240 28.642 21.843 725 H LEU 87 H LEU 87 15.583 29.966 27.889 726 HA LEU 87 HA LEU 87 16.074 31.585 30.162 727 1HB LEU 87 HB2 LEU 87 14.052 31.703 28.747 728 2HB LEU 87 HB3 LEU 87 13.567 30.093 29.301 729 HG LEU 87 HG LEU 87 13.307 30.961 31.616 730 1HD1 LEU 87 1HD1 LEU 87 14.002 33.652 30.345 731 2HD1 LEU 87 2HD1 LEU 87 13.282 33.445 31.956 732 3HD1 LEU 87 3HD1 LEU 87 14.905 32.829 31.638 733 1HD2 LEU 87 1HD2 LEU 87 11.286 32.288 31.168 734 2HD2 LEU 87 2HD2 LEU 87 11.817 32.561 29.495 735 3HD2 LEU 87 3HD2 LEU 87 11.403 30.923 30.044 736 1H LYS 88 H1 LYS 88 10.238 39.057 9.393 737 2H LYS 88 H2 LYS 88 9.009 39.909 10.085 738 3H LYS 88 H3 LYS 88 10.488 39.856 10.812 739 HA LYS 88 HA LYS 88 10.302 37.506 11.154 740 1HB LYS 88 HB2 LYS 88 9.668 39.066 12.924 741 2HB LYS 88 HB3 LYS 88 8.021 39.178 12.297 742 1HG LYS 88 HG2 LYS 88 7.623 36.801 12.843 743 2HG LYS 88 HG3 LYS 88 9.334 36.593 13.257 744 1HD LYS 88 HD2 LYS 88 8.036 36.761 15.283 745 2HD LYS 88 HD3 LYS 88 9.085 38.179 15.145 746 1HE LYS 88 HE2 LYS 88 7.165 39.547 14.374 747 2HE LYS 88 HE3 LYS 88 6.120 38.112 14.388 748 1HZ LYS 88 HZ1 LYS 88 6.480 37.972 16.747 749 2HZ LYS 88 HZ2 LYS 88 7.443 39.309 16.719 750 3HZ LYS 88 HZ3 LYS 88 5.846 39.434 16.335 751 H GLU 89 H GLU 89 6.914 38.558 10.674 752 HA GLU 89 HA GLU 89 5.795 36.196 9.979 753 1HB GLU 89 HB2 GLU 89 4.037 37.408 8.890 754 2HB GLU 89 HB3 GLU 89 4.548 38.248 10.356 755 1HG GLU 89 HG2 GLU 89 5.086 39.039 7.464 756 2HG GLU 89 HG3 GLU 89 4.097 39.883 8.650 757 H LYS 90 H LYS 90 7.267 38.388 7.579 758 HA LYS 90 HA LYS 90 6.727 36.729 5.341 759 1HB LYS 90 HB2 LYS 90 8.269 38.105 4.116 760 2HB LYS 90 HB3 LYS 90 7.265 39.105 5.171 761 1HG LYS 90 HG2 LYS 90 9.205 39.190 6.816 762 2HG LYS 90 HG3 LYS 90 10.183 38.325 5.607 763 1HD LYS 90 HD2 LYS 90 9.770 40.130 3.971 764 2HD LYS 90 HD3 LYS 90 8.801 41.006 5.177 765 1HE LYS 90 HE2 LYS 90 10.792 41.135 6.673 766 2HE LYS 90 HE3 LYS 90 11.758 40.274 5.456 767 1HZ LYS 90 HZ1 LYS 90 11.350 42.078 3.948 768 2HZ LYS 90 HZ2 LYS 90 10.453 42.876 5.078 769 3HZ LYS 90 HZ3 LYS 90 12.062 42.627 5.329 770 H ARG 91 H ARG 91 9.401 36.745 7.640 771 HA ARG 91 HA ARG 91 11.107 34.923 6.129 772 1HB ARG 91 HB2 ARG 91 12.170 36.363 7.644 773 2HB ARG 91 HB3 ARG 91 11.141 35.933 9.000 774 1HG ARG 91 HG2 ARG 91 12.880 33.811 7.692 775 2HG ARG 91 HG3 ARG 91 13.567 35.009 8.786 776 1HD ARG 91 HD2 ARG 91 11.737 34.308 10.486 777 2HD ARG 91 HD3 ARG 91 11.490 32.885 9.491 778 HE ARG 91 HE ARG 91 13.582 32.060 10.132 779 1HH1 ARG 91 2HH1 ARG 91 13.284 35.444 11.180 780 2HH1 ARG 91 1HH1 ARG 91 14.605 35.322 12.323 781 1HH2 ARG 91 1HH2 ARG 91 15.545 32.050 11.476 782 2HH2 ARG 91 2HH2 ARG 91 15.856 33.461 12.447 783 H ILE 92 H ILE 92 8.715 34.688 8.769 784 HA ILE 92 HA ILE 92 8.846 31.882 9.172 785 HB ILE 92 HB ILE 92 6.962 34.098 9.784 786 1HG1 ILE 92 2HG1 ILE 92 6.854 32.794 11.963 787 2HG1 ILE 92 3HG1 ILE 92 8.111 31.732 11.290 788 1HG2 ILE 92 1HG2 ILE 92 5.779 31.365 9.318 789 2HG2 ILE 92 2HG2 ILE 92 5.142 32.485 10.536 790 3HG2 ILE 92 3HG2 ILE 92 5.214 32.966 8.850 791 1HD1 ILE 92 1HD1 ILE 92 9.010 33.537 12.706 792 2HD1 ILE 92 2HD1 ILE 92 9.592 33.683 11.035 793 3HD1 ILE 92 3HD1 ILE 92 8.300 34.750 11.634 794 H LYS 93 H LYS 93 6.744 33.749 6.923 795 HA LYS 93 HA LYS 93 5.578 31.387 5.807 796 1HB LYS 93 HB2 LYS 93 5.790 34.235 4.792 797 2HB LYS 93 HB3 LYS 93 4.898 32.975 3.927 798 1HG LYS 93 HG2 LYS 93 4.400 33.709 6.837 799 2HG LYS 93 HG3 LYS 93 3.512 34.402 5.478 800 1HD LYS 93 HD2 LYS 93 2.054 32.704 5.625 801 2HD LYS 93 HD3 LYS 93 3.315 31.618 5.041 802 1HE LYS 93 HE2 LYS 93 4.027 31.250 7.449 803 2HE LYS 93 HE3 LYS 93 2.691 32.299 7.957 804 1HZ LYS 93 HZ1 LYS 93 2.460 29.748 6.517 805 2HZ LYS 93 HZ2 LYS 93 2.087 30.031 8.090 806 3HZ LYS 93 HZ3 LYS 93 1.194 30.737 6.900 807 H GLU 94 H GLU 94 8.268 33.417 4.528 808 HA GLU 94 HA GLU 94 8.813 31.884 2.226 809 1HB GLU 94 HB2 GLU 94 10.615 33.477 4.091 810 2HB GLU 94 HB3 GLU 94 11.191 32.757 2.580 811 1HG GLU 94 HG2 GLU 94 9.692 34.077 1.246 812 2HG GLU 94 HG3 GLU 94 8.809 34.662 2.657 813 H LEU 95 H LEU 95 10.144 31.510 5.537 814 HA LEU 95 HA LEU 95 11.786 29.289 5.069 815 1HB LEU 95 HB2 LEU 95 11.799 30.724 7.086 816 2HB LEU 95 HB3 LEU 95 10.219 30.087 7.559 817 HG LEU 95 HG LEU 95 11.265 27.805 7.815 818 1HD1 LEU 95 1HD1 LEU 95 13.802 29.427 7.210 819 2HD1 LEU 95 2HD1 LEU 95 13.827 27.833 7.967 820 3HD1 LEU 95 3HD1 LEU 95 13.212 28.005 6.321 821 1HD2 LEU 95 1HD2 LEU 95 10.917 29.317 9.704 822 2HD2 LEU 95 2HD2 LEU 95 12.415 28.390 9.884 823 3HD2 LEU 95 3HD2 LEU 95 12.481 30.101 9.398 824 H GLU 96 H GLU 96 8.350 29.372 6.214 825 HA GLU 96 HA GLU 96 8.079 26.538 6.424 826 1HB GLU 96 HB2 GLU 96 6.642 28.118 7.549 827 2HB GLU 96 HB3 GLU 96 6.067 28.782 6.026 828 1HG GLU 96 HG2 GLU 96 5.005 26.572 5.491 829 2HG GLU 96 HG3 GLU 96 5.586 25.944 7.045 830 H LEU 97 H LEU 97 7.266 28.827 3.824 831 HA LEU 97 HA LEU 97 6.039 26.974 2.097 832 1HB LEU 97 HB2 LEU 97 5.700 29.444 2.140 833 2HB LEU 97 HB3 LEU 97 7.322 29.661 1.467 834 HG LEU 97 HG LEU 97 6.579 28.451 -0.605 835 1HD1 LEU 97 1HD1 LEU 97 4.065 28.201 -0.895 836 2HD1 LEU 97 2HD1 LEU 97 4.777 27.035 0.222 837 3HD1 LEU 97 3HD1 LEU 97 3.890 28.444 0.849 838 1HD2 LEU 97 1HD2 LEU 97 5.159 30.293 -1.433 839 2HD2 LEU 97 2HD2 LEU 97 4.852 30.817 0.238 840 3HD2 LEU 97 3HD2 LEU 97 6.491 30.910 -0.442 841 H LEU 98 H LEU 98 9.415 28.134 2.307 842 HA LEU 98 HA LEU 98 10.488 27.236 -0.068 843 1HB LEU 98 HB2 LEU 98 11.782 28.490 1.531 844 2HB LEU 98 HB3 LEU 98 11.617 27.224 2.751 845 HG LEU 98 HG LEU 98 13.033 25.704 1.395 846 1HD1 LEU 98 1HD1 LEU 98 13.353 28.127 -0.438 847 2HD1 LEU 98 2HD1 LEU 98 14.320 26.641 -0.514 848 3HD1 LEU 98 3HD1 LEU 98 12.591 26.583 -0.879 849 1HD2 LEU 98 1HD2 LEU 98 15.140 26.878 1.809 850 2HD2 LEU 98 2HD2 LEU 98 14.276 28.426 1.944 851 3HD2 LEU 98 3HD2 LEU 98 14.003 27.143 3.142 852 H LEU 99 H LEU 99 10.119 25.281 2.940 853 HA LEU 99 HA LEU 99 11.134 22.904 1.714 854 1HB LEU 99 HB2 LEU 99 11.036 23.449 4.163 855 2HB LEU 99 HB3 LEU 99 9.321 23.075 4.164 856 HG LEU 99 HG LEU 99 10.678 21.266 5.045 857 1HD1 LEU 99 1HD1 LEU 99 9.635 20.263 2.388 858 2HD1 LEU 99 2HD1 LEU 99 9.807 19.390 3.910 859 3HD1 LEU 99 3HD1 LEU 99 8.591 20.678 3.778 860 1HD2 LEU 99 1HD2 LEU 99 12.292 20.007 3.798 861 2HD2 LEU 99 2HD2 LEU 99 11.958 20.898 2.308 862 3HD2 LEU 99 3HD2 LEU 99 12.748 21.718 3.668 863 H MET 100 H MET 100 7.771 23.992 2.426 864 HA MET 100 HA MET 100 6.340 21.863 1.314 865 1HB MET 100 HB2 MET 100 5.724 24.835 1.278 866 2HB MET 100 HB3 MET 100 4.569 23.582 0.818 867 1HG MET 100 HG2 MET 100 5.896 23.736 3.555 868 2HG MET 100 HG3 MET 100 4.300 24.375 3.155 869 1HE MET 100 HE1 MET 100 3.262 23.098 5.160 870 2HE MET 100 HE2 MET 100 3.426 21.345 5.417 871 3HE MET 100 HE3 MET 100 4.850 22.404 5.574 872 H SER 101 H SER 101 7.835 24.585 -0.409 873 HA SER 101 HA SER 101 6.632 24.132 -2.891 874 1HB SER 101 HB2 SER 101 9.409 25.247 -2.342 875 2HB SER 101 HB3 SER 101 8.498 25.387 -3.860 876 HG SER 101 HG SER 101 7.644 26.409 -1.347 877 H THR 102 H THR 102 9.301 22.267 -1.496 878 HA THR 102 HA THR 102 10.858 21.694 -3.608 879 HB THR 102 HB THR 102 9.949 19.504 -1.709 880 HG1 THR 102 HG1 THR 102 10.456 21.148 -0.397 881 1HG2 THR 102 1HG2 THR 102 12.640 20.160 -2.986 882 2HG2 THR 102 2HG2 THR 102 12.320 18.813 -1.886 883 3HG2 THR 102 3HG2 THR 102 11.583 18.825 -3.498 884 H GLU 103 H GLU 103 7.870 19.788 -2.983 885 HA GLU 103 HA GLU 103 8.064 18.098 -5.216 886 1HB GLU 103 HB2 GLU 103 5.659 17.731 -4.908 887 2HB GLU 103 HB3 GLU 103 6.604 17.706 -3.409 888 1HG GLU 103 HG2 GLU 103 5.816 20.070 -2.930 889 2HG GLU 103 HG3 GLU 103 4.770 19.944 -4.351 890 H ASN 104 H ASN 104 6.922 21.422 -5.052 891 HA ASN 104 HA ASN 104 5.757 21.351 -7.769 892 1HB ASN 104 HB2 ASN 104 6.166 23.707 -5.917 893 2HB ASN 104 HB3 ASN 104 5.180 23.662 -7.388 894 1HD2 ASN 104 2HD2 ASN 104 4.641 23.944 -4.300 895 2HD2 ASN 104 1HD2 ASN 104 3.330 22.801 -4.015 896 H GLU 105 H GLU 105 8.654 22.608 -6.102 897 HA GLU 105 HA GLU 105 9.930 23.799 -8.346 898 1HB GLU 105 HB2 GLU 105 10.711 24.039 -6.032 899 2HB GLU 105 HB3 GLU 105 11.171 22.330 -5.980 900 1HG GLU 105 HG2 GLU 105 12.879 22.662 -7.671 901 2HG GLU 105 HG3 GLU 105 12.317 24.305 -7.995 902 H LEU 106 H LEU 106 9.853 20.401 -7.207 903 HA LEU 106 HA LEU 106 11.298 19.162 -9.277 904 1HB LEU 106 HB2 LEU 106 9.341 18.381 -7.246 905 2HB LEU 106 HB3 LEU 106 9.048 17.508 -8.747 906 HG LEU 106 HG LEU 106 11.398 16.719 -8.738 907 1HD1 LEU 106 1HD1 LEU 106 12.469 18.591 -7.472 908 2HD1 LEU 106 2HD1 LEU 106 11.545 18.131 -6.030 909 3HD1 LEU 106 3HD1 LEU 106 12.770 17.032 -6.698 910 1HD2 LEU 106 1HD2 LEU 106 9.828 16.278 -6.153 911 2HD2 LEU 106 2HD2 LEU 106 9.634 15.367 -7.666 912 3HD2 LEU 106 3HD2 LEU 106 11.139 15.231 -6.735 913 H LYS 107 H LYS 107 7.939 20.397 -9.399 914 HA LYS 107 HA LYS 107 7.611 19.458 -12.184 915 1HB LYS 107 HB2 LYS 107 5.791 21.210 -10.510 916 2HB LYS 107 HB3 LYS 107 5.394 20.395 -12.030 917 1HG LYS 107 HG2 LYS 107 5.601 18.192 -10.940 918 2HG LYS 107 HG3 LYS 107 6.058 18.979 -9.430 919 1HD LYS 107 HD2 LYS 107 3.788 20.320 -9.724 920 2HD LYS 107 HD3 LYS 107 3.385 19.020 -10.852 921 1HE LYS 107 HE2 LYS 107 2.480 18.410 -8.716 922 2HE LYS 107 HE3 LYS 107 3.902 17.378 -8.951 923 1HZ LYS 107 HZ1 LYS 107 3.788 19.854 -7.344 924 2HZ LYS 107 HZ2 LYS 107 3.823 18.315 -6.761 925 3HZ LYS 107 HZ3 LYS 107 5.130 18.921 -7.561 926 H GLY 108 H GLY 108 9.712 21.601 -11.229 927 1HA GLY 108 HA2 GLY 108 10.694 23.378 -12.204 928 2HA GLY 108 HA3 GLY 108 9.553 23.255 -13.551 929 H GLN 109 H GLN 109 8.284 23.622 -10.277 930 HA GLN 109 HA GLN 109 7.519 26.469 -10.863 931 1HB GLN 109 HB2 GLN 109 5.830 24.072 -10.078 932 2HB GLN 109 HB3 GLN 109 5.261 25.743 -9.938 933 1HG GLN 109 HG2 GLN 109 5.341 26.127 -12.265 934 2HG GLN 109 HG3 GLN 109 6.307 24.689 -12.589 935 1HE2 GLN 109 2HE2 GLN 109 5.349 22.658 -12.752 936 2HE2 GLN 109 1HE2 GLN 109 3.596 22.454 -12.746 937 H GLN 110 H GLN 110 9.448 26.756 -9.346 938 HA GLN 110 HA GLN 110 8.894 26.304 -6.512 939 1HB GLN 110 HB2 GLN 110 11.153 26.273 -7.373 940 2HB GLN 110 HB3 GLN 110 11.022 27.928 -7.967 941 1HG GLN 110 HG2 GLN 110 12.351 27.492 -5.814 942 2HG GLN 110 HG3 GLN 110 11.239 28.842 -5.801 943 1HE2 GLN 110 2HE2 GLN 110 9.268 28.678 -4.619 944 2HE2 GLN 110 1HE2 GLN 110 9.023 27.473 -3.348 945 H ALA 111 H ALA 111 6.662 27.472 -7.553 946 HA ALA 111 HA ALA 111 6.732 30.398 -7.014 947 1HB ALA 111 HB1 ALA 111 4.501 28.563 -7.975 948 2HB ALA 111 HB2 ALA 111 4.398 30.327 -7.786 949 3HB ALA 111 HB3 ALA 111 5.506 29.629 -8.984 950 H LEU 112 H LEU 112 5.443 27.331 -5.719 951 HA LEU 112 HA LEU 112 5.162 28.391 -3.066 952 1HB LEU 112 HB2 LEU 112 2.662 27.836 -2.961 953 2HB LEU 112 HB3 LEU 112 3.134 29.349 -3.722 954 HG LEU 112 HG LEU 112 2.758 28.439 -5.958 955 1HD1 LEU 112 1HD1 LEU 112 1.561 26.229 -6.194 956 2HD1 LEU 112 2HD1 LEU 112 3.259 26.077 -5.766 957 3HD1 LEU 112 3HD1 LEU 112 2.006 25.857 -4.516 958 1HD2 LEU 112 1HD2 LEU 112 0.321 28.240 -5.812 959 2HD2 LEU 112 2HD2 LEU 112 0.432 27.929 -4.067 960 3HD2 LEU 112 3HD2 LEU 112 0.914 29.507 -4.727 Start of MODEL 17 1 1H GLY 1 H1 GLY 1 0.088 4.121 -0.879 2 2H GLY 1 H2 GLY 1 -0.670 5.521 -1.304 3 3H GLY 1 H3 GLY 1 -0.536 4.292 -2.393 4 1HA GLY 1 HA2 GLY 1 1.035 6.036 -2.897 5 2HA GLY 1 HA3 GLY 1 1.679 5.855 -1.256 6 H VAL 2 H VAL 2 0.900 3.782 -4.104 7 HA VAL 2 HA VAL 2 2.879 1.800 -3.361 8 HB VAL 2 HB VAL 2 1.285 2.045 -5.931 9 1HG1 VAL 2 1HG1 VAL 2 3.169 0.439 -6.086 10 2HG1 VAL 2 2HG1 VAL 2 2.682 -0.286 -4.544 11 3HG1 VAL 2 3HG1 VAL 2 1.636 -0.432 -5.973 12 1HG2 VAL 2 1HG2 VAL 2 -0.284 1.980 -4.027 13 2HG2 VAL 2 2HG2 VAL 2 -0.267 0.419 -4.846 14 3HG2 VAL 2 3HG2 VAL 2 0.611 0.618 -3.317 15 H ARG 3 H ARG 3 4.587 3.505 -3.240 16 HA ARG 3 HA ARG 3 5.593 4.657 -5.680 17 1HB ARG 3 HB2 ARG 3 5.744 5.672 -3.473 18 2HB ARG 3 HB3 ARG 3 6.901 4.439 -2.954 19 1HG ARG 3 HG2 ARG 3 7.674 5.821 -5.482 20 2HG ARG 3 HG3 ARG 3 7.456 6.923 -4.122 21 1HD ARG 3 HD2 ARG 3 9.751 6.288 -4.186 22 2HD ARG 3 HD3 ARG 3 9.025 5.564 -2.761 23 HE ARG 3 HE ARG 3 8.839 3.425 -3.955 24 1HH1 ARG 3 1HH1 ARG 3 11.234 5.711 -5.302 25 2HH1 ARG 3 2HH1 ARG 3 12.163 4.442 -6.040 26 1HH2 ARG 3 2HH2 ARG 3 10.069 1.850 -4.859 27 2HH2 ARG 3 1HH2 ARG 3 11.505 2.209 -5.786 28 H LYS 4 H LYS 4 6.639 3.549 -7.220 29 HA LYS 4 HA LYS 4 8.615 1.417 -6.493 30 1HB LYS 4 HB2 LYS 4 6.182 0.829 -7.565 31 2HB LYS 4 HB3 LYS 4 7.054 1.217 -9.042 32 1HG LYS 4 HG2 LYS 4 7.228 -1.149 -8.653 33 2HG LYS 4 HG3 LYS 4 8.827 -0.440 -8.331 34 1HD LYS 4 HD2 LYS 4 8.716 -1.663 -6.430 35 2HD LYS 4 HD3 LYS 4 7.667 -0.392 -5.828 36 1HE LYS 4 HE2 LYS 4 6.711 -2.921 -7.203 37 2HE LYS 4 HE3 LYS 4 6.672 -2.618 -5.461 38 1HZ LYS 4 HZ1 LYS 4 4.565 -2.164 -6.429 39 2HZ LYS 4 HZ2 LYS 4 5.219 -0.744 -5.906 40 3HZ LYS 4 HZ3 LYS 4 5.212 -1.118 -7.515 41 H GLY 5 H GLY 5 8.449 4.473 -7.446 42 1HA GLY 5 HA2 GLY 5 9.852 5.835 -8.663 43 2HA GLY 5 HA3 GLY 5 10.768 4.432 -9.235 44 H TRP 6 H TRP 6 9.375 2.918 -10.624 45 HA TRP 6 HA TRP 6 8.524 4.392 -12.968 46 1HB TRP 6 HB2 TRP 6 8.315 2.273 -14.002 47 2HB TRP 6 HB3 TRP 6 9.782 2.248 -13.034 48 HD1 TRP 6 HD1 TRP 6 9.859 0.533 -10.992 49 HE1 TRP 6 HE1 TRP 6 8.399 -1.465 -10.282 50 HE3 TRP 6 HE3 TRP 6 5.789 1.333 -14.015 51 HZ2 TRP 6 HZ2 TRP 6 5.795 -2.470 -10.811 52 HZ3 TRP 6 HZ3 TRP 6 3.824 -0.191 -13.855 53 HH2 TRP 6 HH2 TRP 6 3.814 -2.058 -12.275 54 H HIS 7 H HIS 7 6.810 3.277 -10.178 55 HA HIS 7 HA HIS 7 4.289 2.574 -11.080 56 1HB HIS 7 HB2 HIS 7 3.442 3.407 -8.942 57 2HB HIS 7 HB3 HIS 7 4.995 2.623 -8.681 58 HD2 HIS 7 HD2 HIS 7 3.165 5.829 -8.060 59 HE1 HIS 7 HE1 HIS 7 7.266 6.919 -7.735 60 HE2 HIS 7 HE2 HIS 7 4.868 7.695 -7.359 61 H GLU 8 H GLU 8 5.648 5.832 -10.641 62 HA GLU 8 HA GLU 8 3.771 7.625 -11.213 63 1HB GLU 8 HB2 GLU 8 6.262 7.820 -10.706 64 2HB GLU 8 HB3 GLU 8 6.569 7.466 -12.410 65 1HG GLU 8 HG2 GLU 8 5.194 9.490 -12.985 66 2HG GLU 8 HG3 GLU 8 4.975 9.744 -11.238 67 H HIS 9 H HIS 9 5.359 5.501 -13.578 68 HA HIS 9 HA HIS 9 4.259 6.942 -15.879 69 1HB HIS 9 HB2 HIS 9 6.006 4.470 -15.742 70 2HB HIS 9 HB3 HIS 9 5.786 5.548 -17.122 71 HD2 HIS 9 HD2 HIS 9 6.194 8.277 -15.200 72 HE1 HIS 9 HE1 HIS 9 10.036 6.656 -14.410 73 HE2 HIS 9 HE2 HIS 9 8.551 8.738 -14.222 74 H VAL 10 H VAL 10 3.003 4.556 -13.845 75 HA VAL 10 HA VAL 10 1.273 3.481 -16.017 76 HB VAL 10 HB VAL 10 2.624 1.837 -13.855 77 1HG1 VAL 10 1HG1 VAL 10 0.242 1.146 -14.608 78 2HG1 VAL 10 2HG1 VAL 10 0.939 0.887 -16.210 79 3HG1 VAL 10 3HG1 VAL 10 1.519 -0.049 -14.820 80 1HG2 VAL 10 1HG2 VAL 10 4.278 2.307 -15.556 81 2HG2 VAL 10 2HG2 VAL 10 3.669 0.679 -15.893 82 3HG2 VAL 10 3HG2 VAL 10 3.111 2.040 -16.861 83 H THR 11 H THR 11 -0.337 4.867 -15.415 84 HA THR 11 HA THR 11 -1.301 5.050 -12.667 85 HB THR 11 HB THR 11 -2.923 6.633 -13.859 86 HG1 THR 11 HG1 THR 11 -2.370 7.075 -16.033 87 1HG2 THR 11 1HG2 THR 11 0.043 7.141 -14.375 88 2HG2 THR 11 2HG2 THR 11 -1.248 8.357 -14.287 89 3HG2 THR 11 3HG2 THR 11 -0.808 7.428 -12.842 90 H GLN 12 H GLN 12 -3.736 4.993 -12.460 91 HA GLN 12 HA GLN 12 -4.833 2.484 -12.645 92 1HB GLN 12 HB2 GLN 12 -5.682 4.332 -11.295 93 2HB GLN 12 HB3 GLN 12 -6.304 5.139 -12.737 94 1HG GLN 12 HG2 GLN 12 -7.217 2.302 -12.198 95 2HG GLN 12 HG3 GLN 12 -7.792 3.579 -11.131 96 1HE2 GLN 12 2HE2 GLN 12 -7.789 2.548 -14.571 97 2HE2 GLN 12 1HE2 GLN 12 -9.225 3.494 -14.967 98 H ASP 13 H ASP 13 -5.013 5.071 -15.116 99 HA ASP 13 HA ASP 13 -6.897 3.904 -16.831 100 1HB ASP 13 HB2 ASP 13 -4.469 5.599 -17.589 101 2HB ASP 13 HB3 ASP 13 -5.946 5.367 -18.530 102 H LEU 14 H LEU 14 -3.300 3.706 -16.969 103 HA LEU 14 HA LEU 14 -3.318 1.806 -19.107 104 1HB LEU 14 HB2 LEU 14 -1.423 3.248 -18.776 105 2HB LEU 14 HB3 LEU 14 -1.138 2.598 -17.156 106 HG LEU 14 HG LEU 14 -0.476 0.465 -18.042 107 1HD1 LEU 14 1HD1 LEU 14 -0.296 -0.042 -20.436 108 2HD1 LEU 14 2HD1 LEU 14 -1.980 0.223 -20.006 109 3HD1 LEU 14 3HD1 LEU 14 -1.090 1.482 -20.854 110 1HD2 LEU 14 1HD2 LEU 14 0.837 2.624 -19.749 111 2HD2 LEU 14 2HD2 LEU 14 1.175 2.370 -18.037 112 3HD2 LEU 14 3HD2 LEU 14 1.559 1.095 -19.206 113 H ARG 15 H ARG 15 -3.127 1.469 -15.510 114 HA ARG 15 HA ARG 15 -2.743 -1.339 -15.461 115 1HB ARG 15 HB2 ARG 15 -4.335 0.423 -13.556 116 2HB ARG 15 HB3 ARG 15 -3.973 -1.284 -13.291 117 1HG ARG 15 HG2 ARG 15 -1.515 -0.750 -13.527 118 2HG ARG 15 HG3 ARG 15 -1.926 0.965 -13.524 119 1HD ARG 15 HD2 ARG 15 -2.625 -1.029 -11.322 120 2HD ARG 15 HD3 ARG 15 -1.254 0.055 -11.267 121 HE ARG 15 HE ARG 15 -4.070 0.693 -10.845 122 1HH1 ARG 15 1HH2 ARG 15 -0.930 2.176 -11.672 123 2HH1 ARG 15 2HH2 ARG 15 -1.158 3.527 -10.616 124 1HH2 ARG 15 1HH1 ARG 15 -4.420 2.560 -9.611 125 2HH2 ARG 15 2HH1 ARG 15 -3.224 3.825 -9.537 126 H SER 16 H SER 16 -5.837 0.484 -15.649 127 HA SER 16 HA SER 16 -7.564 -1.771 -15.799 128 1HB SER 16 HB2 SER 16 -8.336 0.517 -15.366 129 2HB SER 16 HB3 SER 16 -7.890 1.006 -17.017 130 HG SER 16 HG SER 16 -10.082 0.477 -16.934 131 H HIS 17 H HIS 17 -6.097 0.202 -18.421 132 HA HIS 17 HA HIS 17 -7.089 -1.194 -20.618 133 1HB HIS 17 HB2 HIS 17 -5.802 1.000 -20.464 134 2HB HIS 17 HB3 HIS 17 -4.321 0.048 -20.399 135 HD2 HIS 17 HD2 HIS 17 -6.404 -1.667 -22.924 136 HE1 HIS 17 HE1 HIS 17 -4.518 1.464 -25.104 137 HE2 HIS 17 HE2 HIS 17 -5.801 -0.704 -25.306 138 H LEU 18 H LEU 18 -4.129 -1.853 -18.691 139 HA LEU 18 HA LEU 18 -3.306 -4.137 -20.209 140 1HB LEU 18 HB2 LEU 18 -2.660 -3.186 -17.408 141 2HB LEU 18 HB3 LEU 18 -1.955 -4.656 -18.097 142 HG LEU 18 HG LEU 18 -1.742 -1.929 -19.424 143 1HD1 LEU 18 1HD1 LEU 18 0.251 -3.370 -17.650 144 2HD1 LEU 18 2HD1 LEU 18 0.550 -1.861 -18.543 145 3HD1 LEU 18 3HD1 LEU 18 -0.642 -1.886 -17.221 146 1HD2 LEU 18 1HD2 LEU 18 0.156 -2.932 -20.619 147 2HD2 LEU 18 2HD2 LEU 18 -0.131 -4.486 -19.808 148 3HD2 LEU 18 3HD2 LEU 18 -1.312 -3.847 -20.965 149 H VAL 19 H VAL 19 -5.250 -3.897 -17.168 150 HA VAL 19 HA VAL 19 -5.662 -6.675 -16.842 151 HB VAL 19 HB VAL 19 -7.354 -4.277 -16.118 152 1HG1 VAL 19 1HG1 VAL 19 -8.692 -5.723 -14.674 153 2HG1 VAL 19 2HG1 VAL 19 -8.937 -6.177 -16.360 154 3HG1 VAL 19 3HG1 VAL 19 -7.885 -7.162 -15.313 155 1HG2 VAL 19 1HG2 VAL 19 -5.730 -6.265 -14.442 156 2HG2 VAL 19 2HG2 VAL 19 -5.204 -4.638 -14.904 157 3HG2 VAL 19 3HG2 VAL 19 -6.595 -4.833 -13.842 158 H HIS 20 H HIS 20 -7.588 -4.339 -18.801 159 HA HIS 20 HA HIS 20 -9.401 -6.206 -19.925 160 1HB HIS 20 HB2 HIS 20 -9.667 -3.806 -20.285 161 2HB HIS 20 HB3 HIS 20 -8.108 -3.720 -21.066 162 HD2 HIS 20 HD2 HIS 20 -9.112 -2.593 -23.097 163 HE1 HIS 20 HE1 HIS 20 -11.739 -5.645 -24.432 164 HE2 HIS 20 HE2 HIS 20 -10.720 -3.403 -25.025 165 H LYS 21 H LYS 21 -6.120 -5.226 -21.160 166 HA LYS 21 HA LYS 21 -6.096 -7.176 -23.249 167 1HB LYS 21 HB2 LYS 21 -4.034 -5.467 -21.920 168 2HB LYS 21 HB3 LYS 21 -3.467 -6.909 -22.760 169 1HG LYS 21 HG2 LYS 21 -3.503 -4.875 -24.180 170 2HG LYS 21 HG3 LYS 21 -4.361 -6.262 -24.823 171 1HD LYS 21 HD2 LYS 21 -6.545 -5.240 -24.158 172 2HD LYS 21 HD3 LYS 21 -5.673 -3.920 -23.361 173 1HE LYS 21 HE2 LYS 21 -4.795 -3.150 -25.494 174 2HE LYS 21 HE3 LYS 21 -5.479 -4.550 -26.339 175 1HZ LYS 21 HZ1 LYS 21 -6.812 -2.567 -26.549 176 2HZ LYS 21 HZ2 LYS 21 -7.648 -3.792 -25.819 177 3HZ LYS 21 HZ3 LYS 21 -7.073 -2.535 -24.922 178 H LEU 22 H LEU 22 -5.212 -7.631 -19.804 179 HA LEU 22 HA LEU 22 -4.218 -10.304 -20.167 180 1HB LEU 22 HB2 LEU 22 -5.788 -9.160 -17.829 181 2HB LEU 22 HB3 LEU 22 -4.989 -10.719 -17.847 182 HG LEU 22 HG LEU 22 -3.583 -8.032 -18.040 183 1HD1 LEU 22 1HD1 LEU 22 -3.857 -10.067 -15.794 184 2HD1 LEU 22 2HD1 LEU 22 -2.794 -8.642 -15.754 185 3HD1 LEU 22 3HD1 LEU 22 -4.549 -8.435 -15.821 186 1HD2 LEU 22 1HD2 LEU 22 -2.344 -9.770 -19.213 187 2HD2 LEU 22 2HD2 LEU 22 -1.528 -9.440 -17.693 188 3HD2 LEU 22 3HD2 LEU 22 -2.525 -10.899 -17.849 189 H VAL 23 H VAL 23 -7.543 -9.075 -19.499 190 HA VAL 23 HA VAL 23 -8.762 -11.619 -19.665 191 HB VAL 23 HB VAL 23 -10.035 -8.985 -20.474 192 1HG1 VAL 23 1HG1 VAL 23 -11.230 -11.699 -19.723 193 2HG1 VAL 23 2HG1 VAL 23 -12.160 -10.207 -19.937 194 3HG1 VAL 23 3HG1 VAL 23 -11.329 -10.931 -21.314 195 1HG2 VAL 23 1HG2 VAL 23 -9.204 -8.965 -18.114 196 2HG2 VAL 23 2HG2 VAL 23 -10.962 -8.972 -18.208 197 3HG2 VAL 23 3HG2 VAL 23 -10.092 -10.470 -17.806 198 H GLN 24 H GLN 24 -8.219 -9.219 -22.337 199 HA GLN 24 HA GLN 24 -9.379 -10.859 -24.333 200 1HB GLN 24 HB2 GLN 24 -7.123 -8.826 -24.677 201 2HB GLN 24 HB3 GLN 24 -8.107 -9.521 -25.968 202 1HG GLN 24 HG2 GLN 24 -9.014 -7.590 -23.811 203 2HG GLN 24 HG3 GLN 24 -8.984 -7.364 -25.552 204 1HE2 GLN 24 2HE2 GLN 24 -11.188 -7.559 -23.240 205 2HE2 GLN 24 1HE2 GLN 24 -12.420 -8.515 -24.101 206 H ALA 25 H ALA 25 -5.940 -10.687 -23.326 207 HA ALA 25 HA ALA 25 -5.061 -12.451 -25.398 208 1HB ALA 25 HB1 ALA 25 -2.958 -12.411 -24.241 209 2HB ALA 25 HB2 ALA 25 -3.646 -10.785 -24.185 210 3HB ALA 25 HB3 ALA 25 -3.730 -11.822 -22.741 211 H ILE 26 H ILE 26 -6.030 -13.045 -21.986 212 HA ILE 26 HA ILE 26 -5.540 -15.896 -22.102 213 HB ILE 26 HB ILE 26 -7.378 -14.209 -20.362 214 1HG1 ILE 26 2HG1 ILE 26 -4.642 -15.359 -19.664 215 2HG1 ILE 26 3HG1 ILE 26 -4.837 -13.718 -20.270 216 1HG2 ILE 26 1HG2 ILE 26 -6.388 -17.072 -19.996 217 2HG2 ILE 26 2HG2 ILE 26 -7.315 -16.162 -18.801 218 3HG2 ILE 26 3HG2 ILE 26 -8.066 -16.585 -20.328 219 1HD1 ILE 26 1HD1 ILE 26 -6.433 -13.225 -18.391 220 2HD1 ILE 26 2HD1 ILE 26 -5.977 -14.788 -17.670 221 3HD1 ILE 26 3HD1 ILE 26 -4.753 -13.536 -17.910 222 H PHE 27 H PHE 27 -8.334 -13.778 -22.664 223 HA PHE 27 HA PHE 27 -9.944 -15.930 -23.924 224 1HB PHE 27 HB2 PHE 27 -10.206 -15.681 -21.412 225 2HB PHE 27 HB3 PHE 27 -10.886 -14.095 -21.694 226 HD1 PHE 27 HD1 PHE 27 -11.734 -17.290 -20.844 227 HD2 PHE 27 HD2 PHE 27 -12.941 -14.176 -23.591 228 HE1 PHE 27 HE1 PHE 27 -14.037 -18.152 -20.839 229 HE2 PHE 27 HE2 PHE 27 -15.204 -15.057 -23.597 230 HZ PHE 27 HZ PHE 27 -15.771 -17.117 -22.299 231 HA PRO 28 HA PRO 28 -10.195 -11.876 -26.224 232 1HB PRO 28 HB2 PRO 28 -10.746 -12.876 -28.716 233 2HB PRO 28 HB3 PRO 28 -9.103 -12.733 -28.028 234 1HG PRO 28 HG2 PRO 28 -10.869 -15.187 -28.078 235 2HG PRO 28 HG3 PRO 28 -9.141 -15.068 -28.528 236 1HD PRO 28 HD2 PRO 28 -9.926 -15.956 -26.100 237 2HD PRO 28 HD3 PRO 28 -8.481 -14.911 -26.239 238 H THR 29 H THR 29 -12.121 -10.829 -25.702 239 HA THR 29 HA THR 29 -14.464 -12.428 -25.204 240 HB THR 29 HB THR 29 -15.418 -10.251 -24.507 241 HG1 THR 29 HG1 THR 29 -13.967 -9.109 -26.070 242 1HG2 THR 29 1HG2 THR 29 -12.618 -10.771 -23.410 243 2HG2 THR 29 2HG2 THR 29 -13.962 -9.961 -22.578 244 3HG2 THR 29 3HG2 THR 29 -14.069 -11.691 -22.975 245 HA PRO 30 HA PRO 30 -16.165 -11.860 -29.406 246 1HB PRO 30 HB2 PRO 30 -18.628 -12.675 -27.856 247 2HB PRO 30 HB3 PRO 30 -18.127 -13.176 -29.497 248 1HG PRO 30 HG2 PRO 30 -17.675 -14.844 -27.416 249 2HG PRO 30 HG3 PRO 30 -16.360 -14.547 -28.594 250 1HD PRO 30 HD2 PRO 30 -16.745 -13.256 -25.879 251 2HD PRO 30 HD3 PRO 30 -15.278 -13.977 -26.601 252 H ASP 31 H ASP 31 -17.721 -10.615 -26.400 253 HA ASP 31 HA ASP 31 -18.186 -8.038 -27.749 254 1HB ASP 31 HB2 ASP 31 -20.283 -9.493 -27.913 255 2HB ASP 31 HB3 ASP 31 -20.372 -9.411 -26.154 256 HA PRO 32 HA PRO 32 -16.452 -6.810 -23.692 257 1HB PRO 32 HB2 PRO 32 -18.182 -4.416 -24.399 258 2HB PRO 32 HB3 PRO 32 -16.565 -4.427 -23.635 259 1HG PRO 32 HG2 PRO 32 -16.774 -3.946 -26.291 260 2HG PRO 32 HG3 PRO 32 -15.535 -5.097 -25.709 261 1HD PRO 32 HD2 PRO 32 -18.231 -5.724 -26.931 262 2HD PRO 32 HD3 PRO 32 -16.643 -6.499 -27.212 263 H ALA 33 H ALA 33 -19.954 -6.348 -24.507 264 HA ALA 33 HA ALA 33 -20.937 -6.034 -21.898 265 1HB ALA 33 HB1 ALA 33 -23.075 -6.808 -22.810 266 2HB ALA 33 HB2 ALA 33 -22.267 -5.727 -23.963 267 3HB ALA 33 HB3 ALA 33 -22.254 -7.486 -24.231 268 H ALA 34 H ALA 34 -19.801 -8.962 -23.513 269 HA ALA 34 HA ALA 34 -21.073 -10.919 -21.902 270 1HB ALA 34 HB1 ALA 34 -19.874 -11.320 -24.079 271 2HB ALA 34 HB2 ALA 34 -18.334 -11.113 -23.209 272 3HB ALA 34 HB3 ALA 34 -19.422 -12.441 -22.773 273 H LEU 35 H LEU 35 -18.445 -8.704 -21.153 274 HA LEU 35 HA LEU 35 -17.088 -10.085 -19.135 275 1HB LEU 35 HB2 LEU 35 -17.802 -7.150 -19.353 276 2HB LEU 35 HB3 LEU 35 -16.661 -7.797 -18.176 277 HG LEU 35 HG LEU 35 -16.257 -8.158 -21.179 278 1HD1 LEU 35 1HD1 LEU 35 -16.297 -5.738 -20.616 279 2HD1 LEU 35 2HD1 LEU 35 -15.114 -6.022 -19.324 280 3HD1 LEU 35 3HD1 LEU 35 -14.662 -6.282 -21.022 281 1HD2 LEU 35 1HD2 LEU 35 -14.984 -9.740 -19.795 282 2HD2 LEU 35 2HD2 LEU 35 -13.930 -8.537 -20.549 283 3HD2 LEU 35 3HD2 LEU 35 -14.345 -8.393 -18.828 284 H LYS 36 H LYS 36 -20.413 -8.871 -19.058 285 HA LYS 36 HA LYS 36 -20.634 -8.725 -16.220 286 1HB LYS 36 HB2 LYS 36 -22.968 -8.607 -16.543 287 2HB LYS 36 HB3 LYS 36 -22.187 -7.752 -17.885 288 1HG LYS 36 HG2 LYS 36 -22.592 -9.717 -19.365 289 2HG LYS 36 HG3 LYS 36 -23.307 -10.577 -18.010 290 1HD LYS 36 HD2 LYS 36 -25.026 -9.742 -19.455 291 2HD LYS 36 HD3 LYS 36 -25.163 -9.000 -17.862 292 1HE LYS 36 HE2 LYS 36 -23.673 -7.575 -20.107 293 2HE LYS 36 HE3 LYS 36 -25.442 -7.564 -20.060 294 1HZ LYS 36 HZ1 LYS 36 -25.377 -6.608 -17.906 295 2HZ LYS 36 HZ2 LYS 36 -23.733 -6.595 -17.889 296 3HZ LYS 36 HZ3 LYS 36 -24.549 -5.669 -18.976 297 H ASP 37 H ASP 37 -20.414 -11.554 -18.298 298 HA ASP 37 HA ASP 37 -22.085 -13.289 -16.742 299 1HB ASP 37 HB2 ASP 37 -21.467 -13.802 -19.052 300 2HB ASP 37 HB3 ASP 37 -19.757 -13.904 -18.602 301 H ARG 38 H ARG 38 -21.660 -14.513 -14.949 302 HA ARG 38 HA ARG 38 -19.893 -13.959 -13.016 303 1HB ARG 38 HB2 ARG 38 -21.807 -15.550 -12.913 304 2HB ARG 38 HB3 ARG 38 -20.797 -16.782 -13.689 305 1HG ARG 38 HG2 ARG 38 -19.208 -16.649 -11.739 306 2HG ARG 38 HG3 ARG 38 -20.232 -15.393 -11.023 307 1HD ARG 38 HD2 ARG 38 -20.744 -17.533 -9.989 308 2HD ARG 38 HD3 ARG 38 -22.131 -16.993 -10.960 309 HE ARG 38 HE ARG 38 -20.292 -18.705 -12.428 310 1HH1 ARG 38 1HH2 ARG 38 -22.942 -18.789 -10.093 311 2HH1 ARG 38 2HH2 ARG 38 -23.499 -20.369 -10.568 312 1HH2 ARG 38 1HH1 ARG 38 -20.994 -20.778 -13.046 313 2HH2 ARG 38 2HH1 ARG 38 -22.358 -21.528 -12.264 314 H ARG 39 H ARG 39 -19.147 -16.334 -15.634 315 HA ARG 39 HA ARG 39 -16.617 -17.150 -14.526 316 1HB ARG 39 HB2 ARG 39 -17.614 -17.194 -17.409 317 2HB ARG 39 HB3 ARG 39 -16.154 -17.980 -16.805 318 1HG ARG 39 HG2 ARG 39 -17.523 -19.371 -15.259 319 2HG ARG 39 HG3 ARG 39 -18.996 -18.590 -15.858 320 1HD ARG 39 HD2 ARG 39 -18.702 -20.753 -16.940 321 2HD ARG 39 HD3 ARG 39 -18.549 -19.444 -18.133 322 HE ARG 39 HE ARG 39 -15.977 -20.124 -17.079 323 1HH1 ARG 39 1HH1 ARG 39 -18.458 -21.507 -19.194 324 2HH1 ARG 39 2HH1 ARG 39 -17.326 -22.407 -20.176 325 1HH2 ARG 39 1HH2 ARG 39 -14.501 -21.307 -18.318 326 2HH2 ARG 39 2HH2 ARG 39 -15.042 -22.302 -19.640 327 H MET 40 H MET 40 -17.607 -14.525 -16.778 328 HA MET 40 HA MET 40 -14.882 -13.743 -17.364 329 1HB MET 40 HB2 MET 40 -17.527 -12.261 -17.711 330 2HB MET 40 HB3 MET 40 -15.936 -11.723 -18.244 331 1HG MET 40 HG2 MET 40 -17.453 -14.158 -19.229 332 2HG MET 40 HG3 MET 40 -17.112 -12.659 -20.102 333 1HE MET 40 HE1 MET 40 -13.891 -12.323 -19.247 334 2HE MET 40 HE2 MET 40 -13.267 -12.970 -20.781 335 3HE MET 40 HE3 MET 40 -14.692 -11.901 -20.780 336 H GLU 41 H GLU 41 -17.464 -12.610 -15.109 337 HA GLU 41 HA GLU 41 -15.996 -10.509 -13.956 338 1HB GLU 41 HB2 GLU 41 -17.985 -12.394 -12.626 339 2HB GLU 41 HB3 GLU 41 -17.401 -10.876 -11.931 340 1HG GLU 41 HG2 GLU 41 -18.298 -9.616 -13.871 341 2HG GLU 41 HG3 GLU 41 -18.923 -11.107 -14.571 342 H ASN 42 H ASN 42 -15.977 -13.969 -13.115 343 HA ASN 42 HA ASN 42 -14.074 -13.854 -11.016 344 1HB ASN 42 HB2 ASN 42 -15.478 -15.842 -11.878 345 2HB ASN 42 HB3 ASN 42 -14.177 -16.126 -13.021 346 1HD2 ASN 42 2HD2 ASN 42 -11.953 -15.280 -11.070 347 2HD2 ASN 42 1HD2 ASN 42 -11.919 -16.632 -9.957 348 H LEU 43 H LEU 43 -13.618 -14.292 -14.537 349 HA LEU 43 HA LEU 43 -10.779 -14.535 -14.414 350 1HB LEU 43 HB2 LEU 43 -12.076 -15.324 -16.315 351 2HB LEU 43 HB3 LEU 43 -12.582 -13.674 -16.701 352 HG LEU 43 HG LEU 43 -10.289 -13.034 -17.268 353 1HD1 LEU 43 1HD1 LEU 43 -9.550 -15.927 -16.618 354 2HD1 LEU 43 2HD1 LEU 43 -8.506 -14.737 -17.425 355 3HD1 LEU 43 3HD1 LEU 43 -8.974 -14.485 -15.748 356 1HD2 LEU 43 1HD2 LEU 43 -11.762 -14.052 -18.988 357 2HD2 LEU 43 2HD2 LEU 43 -10.043 -14.386 -19.279 358 3HD2 LEU 43 3HD2 LEU 43 -11.094 -15.650 -18.600 359 H VAL 44 H VAL 44 -12.886 -11.728 -14.830 360 HA VAL 44 HA VAL 44 -10.937 -9.703 -15.291 361 HB VAL 44 HB VAL 44 -13.738 -9.760 -14.154 362 1HG1 VAL 44 1HG1 VAL 44 -12.723 -7.787 -13.141 363 2HG1 VAL 44 2HG1 VAL 44 -12.019 -7.308 -14.704 364 3HG1 VAL 44 3HG1 VAL 44 -13.779 -7.275 -14.462 365 1HG2 VAL 44 1HG2 VAL 44 -14.439 -8.917 -16.262 366 2HG2 VAL 44 2HG2 VAL 44 -12.778 -8.527 -16.753 367 3HG2 VAL 44 3HG2 VAL 44 -13.305 -10.212 -16.661 368 H ALA 45 H ALA 45 -12.534 -10.867 -12.259 369 HA ALA 45 HA ALA 45 -11.043 -9.299 -10.449 370 1HB ALA 45 HB1 ALA 45 -12.147 -12.114 -10.052 371 2HB ALA 45 HB2 ALA 45 -11.647 -10.991 -8.772 372 3HB ALA 45 HB3 ALA 45 -13.030 -10.593 -9.810 373 H TYR 46 H TYR 46 -10.326 -12.606 -11.695 374 HA TYR 46 HA TYR 46 -7.852 -12.975 -10.403 375 1HB TYR 46 HB2 TYR 46 -9.016 -14.743 -11.655 376 2HB TYR 46 HB3 TYR 46 -8.700 -13.917 -13.174 377 HD1 TYR 46 HD1 TYR 46 -6.393 -13.770 -14.112 378 HD2 TYR 46 HD2 TYR 46 -7.239 -15.972 -10.499 379 HE1 TYR 46 HE1 TYR 46 -4.110 -14.723 -14.156 380 HE2 TYR 46 HE2 TYR 46 -5.008 -17.031 -10.625 381 HH TYR 46 HH TYR 46 -3.035 -17.178 -11.779 382 H ALA 47 H ALA 47 -8.485 -11.496 -13.616 383 HA ALA 47 HA ALA 47 -5.805 -10.891 -14.270 384 1HB ALA 47 HB1 ALA 47 -6.840 -9.261 -15.850 385 2HB ALA 47 HB2 ALA 47 -7.603 -10.862 -15.918 386 3HB ALA 47 HB3 ALA 47 -8.411 -9.523 -15.080 387 H LYS 48 H LYS 48 -8.243 -8.882 -12.523 388 HA LYS 48 HA LYS 48 -6.580 -6.602 -12.145 389 1HB LYS 48 HB2 LYS 48 -8.844 -7.755 -10.469 390 2HB LYS 48 HB3 LYS 48 -8.019 -6.238 -10.082 391 1HG LYS 48 HG2 LYS 48 -8.640 -5.275 -12.233 392 2HG LYS 48 HG3 LYS 48 -9.417 -6.795 -12.727 393 1HD LYS 48 HD2 LYS 48 -11.046 -6.604 -10.906 394 2HD LYS 48 HD3 LYS 48 -10.249 -5.134 -10.304 395 1HE LYS 48 HE2 LYS 48 -10.780 -3.944 -12.395 396 2HE LYS 48 HE3 LYS 48 -11.498 -5.414 -13.079 397 1HZ LYS 48 HZ1 LYS 48 -13.149 -3.947 -12.214 398 2HZ LYS 48 HZ2 LYS 48 -13.138 -5.346 -11.346 399 3HZ LYS 48 HZ3 LYS 48 -12.473 -3.977 -10.712 400 H LYS 49 H LYS 49 -7.125 -9.446 -10.011 401 HA LYS 49 HA LYS 49 -5.346 -8.816 -7.943 402 1HB LYS 49 HB2 LYS 49 -6.988 -10.703 -8.040 403 2HB LYS 49 HB3 LYS 49 -5.893 -11.559 -9.113 404 1HG LYS 49 HG2 LYS 49 -4.147 -11.534 -7.354 405 2HG LYS 49 HG3 LYS 49 -5.231 -10.652 -6.281 406 1HD LYS 49 HD2 LYS 49 -5.142 -13.071 -5.757 407 2HD LYS 49 HD3 LYS 49 -6.765 -12.512 -6.165 408 1HE LYS 49 HE2 LYS 49 -6.193 -14.739 -7.151 409 2HE LYS 49 HE3 LYS 49 -6.665 -13.546 -8.359 410 1HZ LYS 49 HZ1 LYS 49 -3.907 -14.313 -7.692 411 2HZ LYS 49 HZ2 LYS 49 -4.747 -14.772 -9.035 412 3HZ LYS 49 HZ3 LYS 49 -4.340 -13.192 -8.821 413 H VAL 50 H VAL 50 -4.711 -10.789 -10.826 414 HA VAL 50 HA VAL 50 -1.941 -11.125 -10.358 415 HB VAL 50 HB VAL 50 -3.830 -11.853 -12.449 416 1HG1 VAL 50 1HG1 VAL 50 -2.566 -10.442 -13.962 417 2HG1 VAL 50 2HG1 VAL 50 -1.045 -11.237 -13.472 418 3HG1 VAL 50 3HG1 VAL 50 -2.326 -12.160 -14.296 419 1HG2 VAL 50 1HG2 VAL 50 -1.142 -12.987 -11.580 420 2HG2 VAL 50 2HG2 VAL 50 -2.728 -13.404 -10.885 421 3HG2 VAL 50 3HG2 VAL 50 -2.351 -13.817 -12.569 422 H GLU 51 H GLU 51 -3.570 -8.566 -12.387 423 HA GLU 51 HA GLU 51 -1.187 -7.308 -13.167 424 1HB GLU 51 HB2 GLU 51 -3.365 -6.823 -14.108 425 2HB GLU 51 HB3 GLU 51 -3.904 -6.089 -12.595 426 1HG GLU 51 HG2 GLU 51 -1.432 -5.100 -14.091 427 2HG GLU 51 HG3 GLU 51 -3.038 -4.545 -14.538 428 H GLY 52 H GLY 52 -3.150 -6.793 -10.197 429 1HA GLY 52 HA2 GLY 52 -1.550 -4.824 -8.959 430 2HA GLY 52 HA3 GLY 52 -2.517 -6.051 -8.117 431 H ASP 53 H ASP 53 -1.358 -8.402 -8.654 432 HA ASP 53 HA ASP 53 0.852 -8.584 -6.944 433 1HB ASP 53 HB2 ASP 53 -0.592 -10.484 -7.575 434 2HB ASP 53 HB3 ASP 53 0.100 -10.467 -9.205 435 H MET 54 H MET 54 0.831 -8.485 -10.548 436 HA MET 54 HA MET 54 3.686 -8.551 -10.793 437 1HB MET 54 HB2 MET 54 1.596 -7.432 -12.698 438 2HB MET 54 HB3 MET 54 3.297 -7.684 -13.068 439 1HG MET 54 HG2 MET 54 1.149 -9.747 -12.626 440 2HG MET 54 HG3 MET 54 2.303 -9.591 -13.936 441 1HE MET 54 HE1 MET 54 3.092 -13.098 -12.739 442 2HE MET 54 HE2 MET 54 1.492 -12.303 -12.772 443 3HE MET 54 HE3 MET 54 2.672 -11.989 -14.075 444 H TYR 55 H TYR 55 1.388 -5.799 -10.545 445 HA TYR 55 HA TYR 55 3.280 -3.755 -10.930 446 1HB TYR 55 HB2 TYR 55 0.697 -3.656 -10.686 447 2HB TYR 55 HB3 TYR 55 0.985 -3.520 -8.961 448 HD1 TYR 55 HD1 TYR 55 2.254 -1.487 -8.084 449 HD2 TYR 55 HD2 TYR 55 0.988 -1.838 -12.184 450 HE1 TYR 55 HE1 TYR 55 2.365 0.994 -8.351 451 HE2 TYR 55 HE2 TYR 55 1.117 0.606 -12.445 452 HH TYR 55 HH TYR 55 1.470 2.646 -11.414 453 H GLU 56 H GLU 56 2.351 -5.484 -7.933 454 HA GLU 56 HA GLU 56 4.198 -4.117 -6.220 455 1HB GLU 56 HB2 GLU 56 2.853 -6.830 -6.034 456 2HB GLU 56 HB3 GLU 56 3.760 -6.070 -4.725 457 1HG GLU 56 HG2 GLU 56 1.345 -4.762 -6.040 458 2HG GLU 56 HG3 GLU 56 1.258 -5.752 -4.594 459 H SER 57 H SER 57 4.490 -7.151 -8.094 460 HA SER 57 HA SER 57 7.025 -7.857 -6.967 461 1HB SER 57 HB2 SER 57 5.783 -8.730 -9.608 462 2HB SER 57 HB3 SER 57 7.103 -9.534 -8.742 463 HG SER 57 HG SER 57 4.418 -9.188 -7.860 464 H ALA 58 H ALA 58 6.165 -6.103 -9.948 465 HA ALA 58 HA ALA 58 8.718 -6.341 -11.212 466 1HB ALA 58 HB1 ALA 58 6.691 -6.077 -12.443 467 2HB ALA 58 HB2 ALA 58 6.374 -4.499 -11.696 468 3HB ALA 58 HB3 ALA 58 7.775 -4.707 -12.769 469 H ASN 59 H ASN 59 10.551 -5.385 -10.520 470 HA ASN 59 HA ASN 59 10.544 -2.833 -9.111 471 1HB ASN 59 HB2 ASN 59 12.177 -4.910 -8.943 472 2HB ASN 59 HB3 ASN 59 13.055 -4.069 -10.223 473 1HD2 ASN 59 2HD2 ASN 59 12.991 -1.398 -9.510 474 2HD2 ASN 59 1HD2 ASN 59 13.661 -1.202 -7.892 475 H SER 60 H SER 60 9.969 -3.442 -12.368 476 HA SER 60 HA SER 60 10.730 -0.727 -13.064 477 1HB SER 60 HB2 SER 60 12.097 -1.247 -14.937 478 2HB SER 60 HB3 SER 60 12.811 -2.073 -13.549 479 HG SER 60 HG SER 60 12.589 -3.405 -15.479 480 H ARG 61 H ARG 61 9.678 -0.043 -15.030 481 HA ARG 61 HA ARG 61 7.086 -1.113 -15.481 482 1HB ARG 61 HB2 ARG 61 7.744 1.205 -15.854 483 2HB ARG 61 HB3 ARG 61 8.795 0.735 -17.200 484 1HG ARG 61 HG2 ARG 61 6.856 0.027 -18.514 485 2HG ARG 61 HG3 ARG 61 5.782 0.245 -17.118 486 1HD ARG 61 HD2 ARG 61 6.331 2.608 -17.009 487 2HD ARG 61 HD3 ARG 61 7.410 2.486 -18.391 488 HE ARG 61 HE ARG 61 4.539 2.751 -18.385 489 1HH1 ARG 61 1HH2 ARG 61 7.211 1.333 -20.225 490 2HH1 ARG 61 2HH2 ARG 61 6.417 1.526 -21.774 491 1HH2 ARG 61 1HH1 ARG 61 3.532 3.035 -20.420 492 2HH2 ARG 61 2HH1 ARG 61 4.353 2.516 -21.879 493 H ASP 62 H ASP 62 10.158 -1.405 -17.315 494 HA ASP 62 HA ASP 62 9.210 -3.086 -19.389 495 1HB ASP 62 HB2 ASP 62 11.623 -3.809 -19.518 496 2HB ASP 62 HB3 ASP 62 11.313 -2.080 -19.681 497 H GLU 63 H GLU 63 10.519 -3.980 -16.087 498 HA GLU 63 HA GLU 63 10.218 -6.761 -16.526 499 1HB GLU 63 HB2 GLU 63 11.479 -5.788 -14.621 500 2HB GLU 63 HB3 GLU 63 9.957 -5.254 -13.877 501 1HG GLU 63 HG2 GLU 63 10.785 -7.313 -12.860 502 2HG GLU 63 HG3 GLU 63 9.229 -7.583 -13.640 503 H TYR 64 H TYR 64 7.966 -4.350 -15.114 504 HA TYR 64 HA TYR 64 5.773 -5.978 -14.567 505 1HB TYR 64 HB2 TYR 64 5.880 -3.702 -13.855 506 2HB TYR 64 HB3 TYR 64 5.991 -3.118 -15.491 507 HD1 TYR 64 HD1 TYR 64 4.115 -2.351 -16.606 508 HD2 TYR 64 HD2 TYR 64 3.661 -4.970 -13.210 509 HE1 TYR 64 HE1 TYR 64 1.740 -1.734 -16.446 510 HE2 TYR 64 HE2 TYR 64 1.256 -4.384 -13.079 511 HH TYR 64 HH TYR 64 -0.382 -2.943 -13.850 512 H TYR 65 H TYR 65 6.419 -4.310 -17.708 513 HA TYR 65 HA TYR 65 4.257 -5.550 -19.109 514 1HB TYR 65 HB2 TYR 65 6.790 -4.140 -19.852 515 2HB TYR 65 HB3 TYR 65 6.151 -5.248 -21.050 516 HD1 TYR 65 HD1 TYR 65 3.980 -4.972 -22.078 517 HD2 TYR 65 HD2 TYR 65 5.463 -2.077 -19.261 518 HE1 TYR 65 HE1 TYR 65 2.257 -3.352 -22.840 519 HE2 TYR 65 HE2 TYR 65 3.718 -0.478 -19.983 520 HH TYR 65 HH TYR 65 1.813 -0.202 -21.258 521 H HIS 66 H HIS 66 7.693 -6.589 -18.805 522 HA HIS 66 HA HIS 66 7.483 -8.861 -20.424 523 1HB HIS 66 HB2 HIS 66 9.630 -7.984 -19.736 524 2HB HIS 66 HB3 HIS 66 9.309 -8.409 -18.049 525 HD2 HIS 66 HD2 HIS 66 9.563 -10.957 -17.321 526 HE1 HIS 66 HE1 HIS 66 10.311 -12.653 -21.148 527 HE2 HIS 66 HE2 HIS 66 10.097 -13.146 -18.660 528 H LEU 67 H LEU 67 7.360 -8.914 -16.774 529 HA LEU 67 HA LEU 67 6.679 -11.676 -16.883 530 1HB LEU 67 HB2 LEU 67 6.142 -11.568 -14.474 531 2HB LEU 67 HB3 LEU 67 7.791 -11.258 -15.001 532 HG LEU 67 HG LEU 67 7.645 -8.943 -14.524 533 1HD1 LEU 67 1HD1 LEU 67 5.451 -8.340 -15.194 534 2HD1 LEU 67 2HD1 LEU 67 4.698 -9.452 -14.048 535 3HD1 LEU 67 3HD1 LEU 67 5.539 -7.998 -13.460 536 1HD2 LEU 67 1HD2 LEU 67 8.058 -10.482 -12.615 537 2HD2 LEU 67 2HD2 LEU 67 7.296 -8.956 -12.126 538 3HD2 LEU 67 3HD2 LEU 67 6.320 -10.437 -12.239 539 H LEU 68 H LEU 68 4.569 -8.850 -17.094 540 HA LEU 68 HA LEU 68 2.160 -10.393 -16.656 541 1HB LEU 68 HB2 LEU 68 2.729 -7.803 -18.131 542 2HB LEU 68 HB3 LEU 68 1.134 -8.554 -18.179 543 HG LEU 68 HG LEU 68 2.519 -7.884 -15.560 544 1HD1 LEU 68 1HD1 LEU 68 0.528 -6.236 -17.177 545 2HD1 LEU 68 2HD1 LEU 68 0.971 -5.931 -15.488 546 3HD1 LEU 68 3HD1 LEU 68 2.196 -5.779 -16.766 547 1HD2 LEU 68 1HD2 LEU 68 0.533 -9.558 -15.542 548 2HD2 LEU 68 2HD2 LEU 68 0.307 -8.083 -14.605 549 3HD2 LEU 68 3HD2 LEU 68 -0.444 -8.231 -16.192 550 H ALA 69 H ALA 69 3.863 -9.437 -19.705 551 HA ALA 69 HA ALA 69 2.209 -10.957 -21.441 552 1HB ALA 69 HB1 ALA 69 3.824 -9.289 -22.234 553 2HB ALA 69 HB2 ALA 69 5.179 -10.301 -21.688 554 3HB ALA 69 HB3 ALA 69 4.121 -10.862 -23.001 555 H GLU 70 H GLU 70 5.234 -11.930 -19.783 556 HA GLU 70 HA GLU 70 5.314 -14.610 -20.672 557 1HB GLU 70 HB2 GLU 70 7.170 -13.514 -19.513 558 2HB GLU 70 HB3 GLU 70 6.205 -13.414 -18.029 559 1HG GLU 70 HG2 GLU 70 6.148 -15.825 -17.794 560 2HG GLU 70 HG3 GLU 70 6.998 -16.056 -19.323 561 H LYS 71 H LYS 71 3.659 -13.235 -17.710 562 HA LYS 71 HA LYS 71 2.696 -15.676 -16.768 563 1HB LYS 71 HB2 LYS 71 2.668 -13.692 -15.471 564 2HB LYS 71 HB3 LYS 71 1.515 -12.898 -16.553 565 1HG LYS 71 HG2 LYS 71 0.454 -13.653 -14.510 566 2HG LYS 71 HG3 LYS 71 -0.225 -14.504 -15.897 567 1HD LYS 71 HD2 LYS 71 0.963 -16.516 -15.371 568 2HD LYS 71 HD3 LYS 71 2.002 -15.683 -14.195 569 1HE LYS 71 HE2 LYS 71 0.089 -15.307 -12.705 570 2HE LYS 71 HE3 LYS 71 -1.018 -16.002 -13.898 571 1HZ LYS 71 HZ1 LYS 71 0.111 -18.083 -13.667 572 2HZ LYS 71 HZ2 LYS 71 1.156 -17.448 -12.560 573 3HZ LYS 71 HZ3 LYS 71 -0.450 -17.563 -12.208 574 H ILE 72 H ILE 72 1.096 -13.378 -19.056 575 HA ILE 72 HA ILE 72 -1.278 -14.860 -19.552 576 HB ILE 72 HB ILE 72 0.439 -13.230 -21.448 577 1HG1 ILE 72 2HG1 ILE 72 -2.087 -12.341 -20.023 578 2HG1 ILE 72 3HG1 ILE 72 -0.456 -12.009 -19.421 579 1HG2 ILE 72 1HG2 ILE 72 -1.352 -13.023 -22.926 580 2HG2 ILE 72 2HG2 ILE 72 -1.180 -14.750 -22.666 581 3HG2 ILE 72 3HG2 ILE 72 -2.492 -13.887 -21.849 582 1HD1 ILE 72 1HD1 ILE 72 -0.028 -11.083 -21.869 583 2HD1 ILE 72 2HD1 ILE 72 -1.791 -10.885 -21.862 584 3HD1 ILE 72 3HD1 ILE 72 -0.789 -10.103 -20.625 585 H TYR 73 H TYR 73 1.841 -14.947 -21.267 586 HA TYR 73 HA TYR 73 1.317 -16.886 -23.183 587 1HB TYR 73 HB2 TYR 73 3.269 -15.277 -22.792 588 2HB TYR 73 HB3 TYR 73 3.973 -16.528 -21.795 589 HD1 TYR 73 HD1 TYR 73 2.957 -18.817 -23.911 590 HD2 TYR 73 HD2 TYR 73 5.071 -15.079 -24.293 591 HE1 TYR 73 HE1 TYR 73 4.508 -19.862 -25.495 592 HE2 TYR 73 HE2 TYR 73 6.620 -16.125 -25.884 593 HH TYR 73 HH TYR 73 6.590 -19.661 -26.529 594 H LYS 74 H LYS 74 2.741 -17.320 -19.949 595 HA LYS 74 HA LYS 74 2.828 -20.162 -19.936 596 1HB LYS 74 HB2 LYS 74 2.578 -18.157 -17.645 597 2HB LYS 74 HB3 LYS 74 2.814 -19.892 -17.440 598 1HG LYS 74 HG2 LYS 74 4.902 -19.819 -18.777 599 2HG LYS 74 HG3 LYS 74 4.726 -18.072 -18.956 600 1HD LYS 74 HD2 LYS 74 6.246 -18.305 -17.177 601 2HD LYS 74 HD3 LYS 74 4.708 -17.950 -16.374 602 1HE LYS 74 HE2 LYS 74 4.410 -20.441 -15.985 603 2HE LYS 74 HE3 LYS 74 5.956 -20.713 -16.798 604 1HZ LYS 74 HZ1 LYS 74 5.573 -19.158 -14.336 605 2HZ LYS 74 HZ2 LYS 74 6.191 -20.682 -14.434 606 3HZ LYS 74 HZ3 LYS 74 7.014 -19.415 -15.094 607 H ILE 75 H ILE 75 0.172 -17.976 -18.651 608 HA ILE 75 HA ILE 75 -1.448 -20.064 -17.734 609 HB ILE 75 HB ILE 75 -2.310 -17.448 -19.031 610 1HG1 ILE 75 2HG1 ILE 75 -2.240 -18.293 -16.095 611 2HG1 ILE 75 3HG1 ILE 75 -0.944 -17.396 -16.858 612 1HG2 ILE 75 1HG2 ILE 75 -3.940 -19.511 -17.471 613 2HG2 ILE 75 2HG2 ILE 75 -4.531 -17.904 -17.935 614 3HG2 ILE 75 3HG2 ILE 75 -4.175 -19.093 -19.172 615 1HD1 ILE 75 1HD1 ILE 75 -3.797 -16.390 -16.535 616 2HD1 ILE 75 2HD1 ILE 75 -2.343 -15.803 -15.732 617 3HD1 ILE 75 3HD1 ILE 75 -2.529 -15.570 -17.476 618 H GLN 76 H GLN 76 -1.456 -18.603 -21.030 619 HA GLN 76 HA GLN 76 -3.354 -20.373 -22.162 620 1HB GLN 76 HB2 GLN 76 -0.957 -18.900 -23.317 621 2HB GLN 76 HB3 GLN 76 -1.975 -19.907 -24.333 622 1HG GLN 76 HG2 GLN 76 -2.978 -17.505 -22.719 623 2HG GLN 76 HG3 GLN 76 -2.556 -17.519 -24.433 624 1HE2 GLN 76 2HE2 GLN 76 -4.965 -16.590 -24.238 625 2HE2 GLN 76 1HE2 GLN 76 -6.169 -17.814 -24.541 626 H LYS 77 H LYS 77 0.239 -20.727 -22.184 627 HA LYS 77 HA LYS 77 0.222 -23.246 -23.504 628 1HB LYS 77 HB2 LYS 77 2.206 -21.853 -21.686 629 2HB LYS 77 HB3 LYS 77 2.588 -23.378 -22.455 630 1HG LYS 77 HG2 LYS 77 1.873 -20.796 -23.886 631 2HG LYS 77 HG3 LYS 77 3.482 -21.502 -23.715 632 1HD LYS 77 HD2 LYS 77 3.110 -22.448 -25.734 633 2HD LYS 77 HD3 LYS 77 2.086 -23.599 -24.874 634 1HE LYS 77 HE2 LYS 77 0.125 -21.950 -25.298 635 2HE LYS 77 HE3 LYS 77 1.243 -21.021 -26.301 636 1HZ LYS 77 HZ1 LYS 77 1.522 -22.986 -27.655 637 2HZ LYS 77 HZ2 LYS 77 0.447 -23.815 -26.715 638 3HZ LYS 77 HZ3 LYS 77 -0.056 -22.513 -27.587 639 H GLU 78 H GLU 78 0.477 -22.603 -20.041 640 HA GLU 78 HA GLU 78 0.732 -25.289 -19.172 641 1HB GLU 78 HB2 GLU 78 -0.372 -22.847 -17.756 642 2HB GLU 78 HB3 GLU 78 0.064 -24.360 -16.954 643 1HG GLU 78 HG2 GLU 78 2.448 -24.038 -17.525 644 2HG GLU 78 HG3 GLU 78 2.075 -22.631 -18.488 645 H LEU 79 H LEU 79 -2.192 -23.142 -19.363 646 HA LEU 79 HA LEU 79 -3.884 -25.304 -18.368 647 1HB LEU 79 HB2 LEU 79 -4.351 -22.427 -19.155 648 2HB LEU 79 HB3 LEU 79 -5.674 -23.530 -19.017 649 HG LEU 79 HG LEU 79 -5.005 -24.119 -16.687 650 1HD1 LEU 79 1HD1 LEU 79 -2.997 -21.854 -17.069 651 2HD1 LEU 79 2HD1 LEU 79 -3.465 -22.539 -15.500 652 3HD1 LEU 79 3HD1 LEU 79 -2.630 -23.550 -16.681 653 1HD2 LEU 79 1HD2 LEU 79 -5.814 -22.001 -15.704 654 2HD2 LEU 79 2HD2 LEU 79 -5.545 -21.178 -17.255 655 3HD2 LEU 79 3HD2 LEU 79 -6.754 -22.469 -17.130 656 H GLU 80 H GLU 80 -3.115 -23.979 -21.501 657 HA GLU 80 HA GLU 80 -4.498 -24.021 -23.369 658 1HB GLU 80 HB2 GLU 80 -2.170 -24.851 -23.597 659 2HB GLU 80 HB3 GLU 80 -2.738 -26.504 -23.403 660 1HG GLU 80 HG2 GLU 80 -2.378 -25.994 -25.755 661 2HG GLU 80 HG3 GLU 80 -4.103 -26.245 -25.494 662 H GLU 81 H GLU 81 -4.490 -27.553 -22.506 663 HA GLU 81 HA GLU 81 -6.754 -28.082 -24.132 664 1HB GLU 81 HB2 GLU 81 -5.832 -29.643 -21.696 665 2HB GLU 81 HB3 GLU 81 -6.872 -30.228 -23.000 666 1HG GLU 81 HG2 GLU 81 -3.939 -29.459 -23.234 667 2HG GLU 81 HG3 GLU 81 -4.639 -31.069 -23.371 668 H LYS 82 H LYS 82 -6.578 -27.164 -20.707 669 HA LYS 82 HA LYS 82 -9.396 -27.430 -20.173 670 1HB LYS 82 HB2 LYS 82 -7.580 -27.337 -18.475 671 2HB LYS 82 HB3 LYS 82 -7.349 -25.618 -18.808 672 1HG LYS 82 HG2 LYS 82 -10.090 -26.698 -18.049 673 2HG LYS 82 HG3 LYS 82 -8.845 -26.466 -16.816 674 1HD LYS 82 HD2 LYS 82 -8.663 -24.085 -17.324 675 2HD LYS 82 HD3 LYS 82 -9.798 -24.233 -18.669 676 1HE LYS 82 HE2 LYS 82 -10.963 -23.316 -16.769 677 2HE LYS 82 HE3 LYS 82 -11.600 -24.926 -17.132 678 1HZ LYS 82 HZ1 LYS 82 -10.273 -25.784 -15.339 679 2HZ LYS 82 HZ2 LYS 82 -9.646 -24.291 -15.026 680 3HZ LYS 82 HZ3 LYS 82 -11.252 -24.577 -14.795 681 H ARG 83 H ARG 83 -7.301 -24.866 -21.541 682 HA ARG 83 HA ARG 83 -9.328 -22.813 -21.505 683 1HB ARG 83 HB2 ARG 83 -6.972 -23.039 -23.437 684 2HB ARG 83 HB3 ARG 83 -7.937 -21.623 -23.105 685 1HG ARG 83 HG2 ARG 83 -6.044 -23.045 -21.202 686 2HG ARG 83 HG3 ARG 83 -5.815 -21.480 -21.951 687 1HD ARG 83 HD2 ARG 83 -7.722 -22.276 -19.724 688 2HD ARG 83 HD3 ARG 83 -6.513 -20.992 -19.699 689 HE ARG 83 HE ARG 83 -9.254 -20.794 -20.456 690 1HH1 ARG 83 2HH2 ARG 83 -6.085 -19.544 -21.466 691 2HH1 ARG 83 1HH2 ARG 83 -6.801 -18.200 -22.349 692 1HH2 ARG 83 2HH1 ARG 83 -10.118 -19.053 -21.724 693 2HH2 ARG 83 1HH1 ARG 83 -8.988 -17.909 -22.436 694 H ARG 84 H ARG 84 -8.321 -25.235 -23.932 695 HA ARG 84 HA ARG 84 -10.212 -24.476 -25.940 696 1HB ARG 84 HB2 ARG 84 -9.024 -27.205 -25.294 697 2HB ARG 84 HB3 ARG 84 -9.937 -26.819 -26.756 698 1HG ARG 84 HG2 ARG 84 -8.277 -25.182 -27.435 699 2HG ARG 84 HG3 ARG 84 -7.384 -25.362 -25.924 700 1HD ARG 84 HD2 ARG 84 -6.199 -26.639 -27.584 701 2HD ARG 84 HD3 ARG 84 -6.947 -27.753 -26.456 702 HE ARG 84 HE ARG 84 -8.274 -28.611 -28.099 703 1HH1 ARG 84 1HH2 ARG 84 -6.917 -25.567 -29.257 704 2HH1 ARG 84 2HH2 ARG 84 -7.380 -25.820 -30.919 705 1HH2 ARG 84 1HH1 ARG 84 -8.901 -28.959 -30.257 706 2HH2 ARG 84 2HH1 ARG 84 -8.542 -27.785 -31.493 707 H SER 85 H SER 85 -10.434 -26.856 -23.304 708 HA SER 85 HA SER 85 -13.281 -27.366 -23.706 709 1HB SER 85 HB2 SER 85 -11.833 -29.093 -22.804 710 2HB SER 85 HB3 SER 85 -11.362 -28.045 -21.450 711 HG SER 85 HG SER 85 -13.509 -28.049 -20.770 712 H ARG 86 H ARG 86 -13.699 -24.927 -23.730 713 HA ARG 86 HA ARG 86 -13.747 -23.343 -21.390 714 1HB ARG 86 HB2 ARG 86 -15.388 -23.286 -23.938 715 2HB ARG 86 HB3 ARG 86 -15.539 -22.030 -22.715 716 1HG ARG 86 HG2 ARG 86 -12.972 -22.651 -24.201 717 2HG ARG 86 HG3 ARG 86 -14.107 -21.340 -24.519 718 1HD ARG 86 HD2 ARG 86 -13.726 -20.884 -21.873 719 2HD ARG 86 HD3 ARG 86 -12.162 -21.607 -22.239 720 HE ARG 86 HE ARG 86 -13.276 -19.025 -23.058 721 1HH1 ARG 86 1HH2 ARG 86 -10.857 -21.449 -23.970 722 2HH1 ARG 86 2HH2 ARG 86 -9.818 -20.290 -24.758 723 1HH2 ARG 86 1HH1 ARG 86 -11.955 -17.534 -24.063 724 2HH2 ARG 86 2HH1 ARG 86 -10.489 -18.031 -24.874 725 H LEU 87 H LEU 87 -14.637 -25.481 -20.109 726 HA LEU 87 HA LEU 87 -17.590 -25.278 -19.787 727 1HB LEU 87 HB2 LEU 87 -16.594 -27.502 -20.247 728 2HB LEU 87 HB3 LEU 87 -15.549 -27.321 -18.834 729 HG LEU 87 HG LEU 87 -17.559 -27.294 -17.353 730 1HD1 LEU 87 1HD1 LEU 87 -19.290 -26.435 -18.870 731 2HD1 LEU 87 2HD1 LEU 87 -19.069 -27.826 -19.956 732 3HD1 LEU 87 3HD1 LEU 87 -19.741 -28.053 -18.329 733 1HD2 LEU 87 1HD2 LEU 87 -16.350 -29.385 -17.828 734 2HD2 LEU 87 2HD2 LEU 87 -18.085 -29.688 -17.625 735 3HD2 LEU 87 3HD2 LEU 87 -17.373 -29.669 -19.253 736 1H LYS 88 H1 LYS 88 1.416 -23.566 -33.947 737 2H LYS 88 H2 LYS 88 1.256 -22.013 -34.463 738 3H LYS 88 H3 LYS 88 2.691 -22.801 -34.657 739 HA LYS 88 HA LYS 88 1.439 -22.122 -32.095 740 1HB LYS 88 HB2 LYS 88 4.249 -23.166 -32.619 741 2HB LYS 88 HB3 LYS 88 3.506 -22.851 -31.050 742 1HG LYS 88 HG2 LYS 88 2.695 -25.016 -33.046 743 2HG LYS 88 HG3 LYS 88 3.587 -25.229 -31.543 744 1HD LYS 88 HD2 LYS 88 1.620 -24.387 -30.250 745 2HD LYS 88 HD3 LYS 88 0.692 -24.275 -31.762 746 1HE LYS 88 HE2 LYS 88 1.020 -26.707 -32.150 747 2HE LYS 88 HE3 LYS 88 1.932 -26.826 -30.633 748 1HZ LYS 88 HZ1 LYS 88 -0.880 -26.023 -30.892 749 2HZ LYS 88 HZ2 LYS 88 -0.323 -27.472 -30.341 750 3HZ LYS 88 HZ3 LYS 88 -0.034 -26.099 -29.478 751 H GLU 89 H GLU 89 4.344 -21.460 -34.044 752 HA GLU 89 HA GLU 89 5.525 -19.355 -33.050 753 1HB GLU 89 HB2 GLU 89 6.019 -20.375 -35.226 754 2HB GLU 89 HB3 GLU 89 4.623 -19.597 -35.957 755 1HG GLU 89 HG2 GLU 89 5.717 -17.341 -35.410 756 2HG GLU 89 HG3 GLU 89 7.153 -18.255 -34.925 757 H LYS 90 H LYS 90 2.857 -18.693 -35.302 758 HA LYS 90 HA LYS 90 2.812 -15.902 -34.694 759 1HB LYS 90 HB2 LYS 90 0.839 -17.674 -36.184 760 2HB LYS 90 HB3 LYS 90 0.756 -15.903 -36.112 761 1HG LYS 90 HG2 LYS 90 3.001 -15.716 -37.111 762 2HG LYS 90 HG3 LYS 90 3.152 -17.478 -37.176 763 1HD LYS 90 HD2 LYS 90 1.211 -17.600 -38.720 764 2HD LYS 90 HD3 LYS 90 1.015 -15.844 -38.610 765 1HE LYS 90 HE2 LYS 90 2.187 -16.399 -40.672 766 2HE LYS 90 HE3 LYS 90 3.279 -15.517 -39.594 767 1HZ LYS 90 HZ1 LYS 90 4.315 -17.405 -40.628 768 2HZ LYS 90 HZ2 LYS 90 4.284 -17.603 -38.997 769 3HZ LYS 90 HZ3 LYS 90 3.224 -18.436 -39.951 770 H ARG 91 H ARG 91 1.071 -18.639 -33.333 771 HA ARG 91 HA ARG 91 -1.008 -17.079 -32.017 772 1HB ARG 91 HB2 ARG 91 -1.395 -19.376 -32.420 773 2HB ARG 91 HB3 ARG 91 0.047 -19.903 -31.573 774 1HG ARG 91 HG2 ARG 91 -2.089 -18.370 -30.060 775 2HG ARG 91 HG3 ARG 91 -2.346 -20.055 -30.511 776 1HD ARG 91 HD2 ARG 91 -0.090 -20.591 -29.443 777 2HD ARG 91 HD3 ARG 91 -0.188 -19.046 -28.592 778 HE ARG 91 HE ARG 91 -1.552 -21.523 -28.071 779 1HH1 ARG 91 1HH2 ARG 91 -2.216 -18.064 -27.953 780 2HH1 ARG 91 2HH2 ARG 91 -3.482 -18.213 -26.760 781 1HH2 ARG 91 2HH1 ARG 91 -3.056 -21.735 -26.435 782 2HH2 ARG 91 1HH1 ARG 91 -3.911 -20.358 -25.798 783 H ILE 92 H ILE 92 2.139 -18.473 -31.032 784 HA ILE 92 HA ILE 92 2.280 -17.321 -28.438 785 HB ILE 92 HB ILE 92 4.281 -18.390 -30.440 786 1HG1 ILE 92 2HG1 ILE 92 4.940 -19.697 -28.340 787 2HG1 ILE 92 3HG1 ILE 92 3.531 -18.971 -27.549 788 1HG2 ILE 92 1HG2 ILE 92 5.525 -16.456 -29.702 789 2HG2 ILE 92 2HG2 ILE 92 5.069 -16.751 -28.015 790 3HG2 ILE 92 3HG2 ILE 92 6.153 -17.866 -28.881 791 1HD1 ILE 92 1HD1 ILE 92 3.523 -20.729 -30.025 792 2HD1 ILE 92 2HD1 ILE 92 3.066 -21.230 -28.387 793 3HD1 ILE 92 3HD1 ILE 92 2.075 -20.041 -29.248 794 H LYS 93 H LYS 93 3.540 -16.022 -31.565 795 HA LYS 93 HA LYS 93 4.528 -13.712 -30.269 796 1HB LYS 93 HB2 LYS 93 3.907 -14.249 -33.183 797 2HB LYS 93 HB3 LYS 93 4.699 -12.764 -32.646 798 1HG LYS 93 HG2 LYS 93 5.850 -15.432 -31.787 799 2HG LYS 93 HG3 LYS 93 6.093 -14.875 -33.437 800 1HD LYS 93 HD2 LYS 93 7.999 -14.280 -32.076 801 2HD LYS 93 HD3 LYS 93 7.192 -12.826 -32.676 802 1HE LYS 93 HE2 LYS 93 6.235 -12.372 -30.485 803 2HE LYS 93 HE3 LYS 93 6.780 -13.955 -29.864 804 1HZ LYS 93 HZ1 LYS 93 8.156 -12.178 -29.165 805 2HZ LYS 93 HZ2 LYS 93 9.014 -13.207 -30.128 806 3HZ LYS 93 HZ3 LYS 93 8.508 -11.750 -30.720 807 H GLU 94 H GLU 94 1.442 -14.139 -32.041 808 HA GLU 94 HA GLU 94 0.498 -11.474 -31.709 809 1HB GLU 94 HB2 GLU 94 -0.949 -14.153 -31.857 810 2HB GLU 94 HB3 GLU 94 -1.779 -12.594 -31.880 811 1HG GLU 94 HG2 GLU 94 0.403 -13.283 -33.905 812 2HG GLU 94 HG3 GLU 94 -1.295 -13.679 -34.156 813 H LEU 95 H LEU 95 0.128 -14.384 -29.619 814 HA LEU 95 HA LEU 95 -1.424 -13.227 -27.608 815 1HB LEU 95 HB2 LEU 95 -0.947 -15.632 -27.859 816 2HB LEU 95 HB3 LEU 95 0.747 -15.359 -27.440 817 HG LEU 95 HG LEU 95 -0.020 -14.595 -25.141 818 1HD1 LEU 95 1HD1 LEU 95 -2.680 -15.729 -26.180 819 2HD1 LEU 95 2HD1 LEU 95 -2.348 -15.262 -24.503 820 3HD1 LEU 95 3HD1 LEU 95 -2.386 -14.033 -25.764 821 1HD2 LEU 95 1HD2 LEU 95 -0.443 -16.904 -24.419 822 2HD2 LEU 95 2HD2 LEU 95 -0.701 -17.403 -26.103 823 3HD2 LEU 95 3HD2 LEU 95 0.887 -16.815 -25.586 824 H GLU 96 H GLU 96 2.164 -13.475 -27.768 825 HA GLU 96 HA GLU 96 2.716 -12.057 -25.370 826 1HB GLU 96 HB2 GLU 96 4.289 -13.487 -26.542 827 2HB GLU 96 HB3 GLU 96 4.355 -12.383 -27.914 828 1HG GLU 96 HG2 GLU 96 5.365 -10.636 -26.476 829 2HG GLU 96 HG3 GLU 96 5.221 -11.704 -25.068 830 H LEU 97 H LEU 97 2.640 -10.942 -28.768 831 HA LEU 97 HA LEU 97 3.352 -8.285 -28.381 832 1HB LEU 97 HB2 LEU 97 3.391 -9.422 -30.538 833 2HB LEU 97 HB3 LEU 97 1.629 -9.592 -30.519 834 HG LEU 97 HG LEU 97 1.360 -7.149 -30.720 835 1HD1 LEU 97 1HD1 LEU 97 3.355 -5.752 -31.279 836 2HD1 LEU 97 2HD1 LEU 97 3.411 -6.336 -29.615 837 3HD1 LEU 97 3HD1 LEU 97 4.413 -7.116 -30.859 838 1HD2 LEU 97 1HD2 LEU 97 3.220 -8.376 -32.792 839 2HD2 LEU 97 2HD2 LEU 97 1.455 -8.564 -32.724 840 3HD2 LEU 97 3HD2 LEU 97 2.162 -6.969 -33.036 841 H LEU 98 H LEU 98 0.060 -9.735 -28.389 842 HA LEU 98 HA LEU 98 -1.454 -7.436 -28.520 843 1HB LEU 98 HB2 LEU 98 -2.401 -9.649 -28.637 844 2HB LEU 98 HB3 LEU 98 -1.953 -9.993 -26.962 845 HG LEU 98 HG LEU 98 -3.578 -8.370 -26.131 846 1HD1 LEU 98 1HD1 LEU 98 -5.201 -7.287 -27.687 847 2HD1 LEU 98 2HD1 LEU 98 -3.567 -6.661 -27.916 848 3HD1 LEU 98 3HD1 LEU 98 -4.233 -7.838 -29.070 849 1HD2 LEU 98 1HD2 LEU 98 -5.606 -9.554 -26.791 850 2HD2 LEU 98 2HD2 LEU 98 -4.817 -10.165 -28.261 851 3HD2 LEU 98 3HD2 LEU 98 -4.263 -10.706 -26.666 852 H LEU 99 H LEU 99 -0.006 -8.848 -25.542 853 HA LEU 99 HA LEU 99 -1.083 -6.772 -23.834 854 1HB LEU 99 HB2 LEU 99 -0.332 -9.058 -23.120 855 2HB LEU 99 HB3 LEU 99 1.338 -8.553 -23.328 856 HG LEU 99 HG LEU 99 0.712 -8.493 -21.013 857 1HD1 LEU 99 1HD1 LEU 99 2.229 -6.673 -21.857 858 2HD1 LEU 99 2HD1 LEU 99 0.818 -5.578 -21.776 859 3HD1 LEU 99 3HD1 LEU 99 1.410 -6.364 -20.313 860 1HD2 LEU 99 1HD2 LEU 99 -1.779 -8.119 -21.364 861 2HD2 LEU 99 2HD2 LEU 99 -1.052 -7.176 -20.051 862 3HD2 LEU 99 3HD2 LEU 99 -1.421 -6.397 -21.595 863 H MET 100 H MET 100 2.162 -7.374 -25.266 864 HA MET 100 HA MET 100 3.512 -5.144 -24.281 865 1HB MET 100 HB2 MET 100 3.798 -6.488 -26.987 866 2HB MET 100 HB3 MET 100 4.968 -5.366 -26.303 867 1HG MET 100 HG2 MET 100 4.136 -8.020 -25.044 868 2HG MET 100 HG3 MET 100 5.604 -7.748 -25.969 869 1HE MET 100 HE1 MET 100 7.742 -5.560 -23.584 870 2HE MET 100 HE2 MET 100 7.625 -6.374 -25.165 871 3HE MET 100 HE3 MET 100 6.650 -4.919 -24.831 872 H SER 101 H SER 101 1.384 -5.277 -27.093 873 HA SER 101 HA SER 101 1.891 -2.726 -28.168 874 1HB SER 101 HB2 SER 101 -0.686 -4.353 -28.207 875 2HB SER 101 HB3 SER 101 -0.285 -3.010 -29.294 876 HG SER 101 HG SER 101 1.114 -5.475 -29.046 877 H THR 102 H THR 102 0.265 -3.378 -25.143 878 HA THR 102 HA THR 102 -1.859 -1.627 -25.289 879 HB THR 102 HB THR 102 -0.226 -2.147 -22.773 880 HG1 THR 102 HG1 THR 102 -0.913 -4.065 -23.698 881 1HG2 THR 102 1HG2 THR 102 -3.135 -1.380 -23.250 882 2HG2 THR 102 2HG2 THR 102 -2.432 -1.763 -21.674 883 3HG2 THR 102 3HG2 THR 102 -1.918 -0.302 -22.539 884 H GLU 103 H GLU 103 1.369 -0.651 -23.879 885 HA GLU 103 HA GLU 103 0.771 2.034 -23.600 886 1HB GLU 103 HB2 GLU 103 3.189 2.484 -23.836 887 2HB GLU 103 HB3 GLU 103 2.769 1.195 -22.708 888 1HG GLU 103 HG2 GLU 103 3.359 -0.492 -24.552 889 2HG GLU 103 HG3 GLU 103 4.002 0.879 -25.471 890 H ASN 104 H ASN 104 2.001 0.477 -26.597 891 HA ASN 104 HA ASN 104 2.184 2.818 -28.169 892 1HB ASN 104 HB2 ASN 104 1.317 0.070 -29.158 893 2HB ASN 104 HB3 ASN 104 2.033 1.371 -30.108 894 1HD2 ASN 104 2HD2 ASN 104 4.296 1.344 -30.319 895 2HD2 ASN 104 1HD2 ASN 104 5.338 0.367 -29.300 896 H GLU 105 H GLU 105 -0.578 0.628 -27.577 897 HA GLU 105 HA GLU 105 -2.415 2.043 -29.222 898 1HB GLU 105 HB2 GLU 105 -2.574 -0.350 -28.417 899 2HB GLU 105 HB3 GLU 105 -3.090 0.283 -26.843 900 1HG GLU 105 HG2 GLU 105 -4.962 1.464 -27.998 901 2HG GLU 105 HG3 GLU 105 -4.436 0.788 -29.544 902 H LEU 106 H LEU 106 -1.469 2.363 -25.851 903 HA LEU 106 HA LEU 106 -3.508 4.074 -24.887 904 1HB LEU 106 HB2 LEU 106 -1.854 2.655 -23.558 905 2HB LEU 106 HB3 LEU 106 -0.655 3.900 -23.923 906 HG LEU 106 HG LEU 106 -2.394 5.550 -22.800 907 1HD1 LEU 106 1HD1 LEU 106 -3.172 2.886 -21.538 908 2HD1 LEU 106 2HD1 LEU 106 -3.698 4.497 -21.017 909 3HD1 LEU 106 3HD1 LEU 106 -4.223 3.866 -22.586 910 1HD2 LEU 106 1HD2 LEU 106 -0.170 5.118 -21.949 911 2HD2 LEU 106 2HD2 LEU 106 -1.331 5.058 -20.610 912 3HD2 LEU 106 3HD2 LEU 106 -0.680 3.554 -21.297 913 H LYS 107 H LYS 107 -0.669 4.754 -26.842 914 HA LYS 107 HA LYS 107 -0.569 7.617 -26.286 915 1HB LYS 107 HB2 LYS 107 0.621 5.904 -28.494 916 2HB LYS 107 HB3 LYS 107 0.920 7.638 -28.299 917 1HG LYS 107 HG2 LYS 107 1.934 7.312 -26.124 918 2HG LYS 107 HG3 LYS 107 1.522 5.592 -26.125 919 1HD LYS 107 HD2 LYS 107 2.915 5.281 -28.187 920 2HD LYS 107 HD3 LYS 107 3.437 6.968 -28.066 921 1HE LYS 107 HE2 LYS 107 3.868 4.802 -25.941 922 2HE LYS 107 HE3 LYS 107 5.085 5.358 -27.101 923 1HZ LYS 107 HZ1 LYS 107 3.818 7.013 -25.035 924 2HZ LYS 107 HZ2 LYS 107 5.356 6.424 -25.010 925 3HZ LYS 107 HZ3 LYS 107 4.922 7.541 -26.140 926 H GLY 108 H GLY 108 -3.025 7.472 -26.484 927 1HA GLY 108 HA2 GLY 108 -4.818 8.541 -27.484 928 2HA GLY 108 HA3 GLY 108 -3.862 8.833 -28.944 929 H GLN 109 H GLN 109 -3.211 6.743 -30.039 930 HA GLN 109 HA GLN 109 -4.729 5.894 -31.798 931 1HB GLN 109 HB2 GLN 109 -3.507 3.574 -30.302 932 2HB GLN 109 HB3 GLN 109 -3.780 3.741 -32.030 933 1HG GLN 109 HG2 GLN 109 -1.713 5.180 -30.323 934 2HG GLN 109 HG3 GLN 109 -1.433 3.966 -31.556 935 1HE2 GLN 109 2HE2 GLN 109 -1.357 7.293 -31.027 936 2HE2 GLN 109 1HE2 GLN 109 -1.473 7.797 -32.710 937 H GLN 110 H GLN 110 -5.129 3.851 -28.863 938 HA GLN 110 HA GLN 110 -8.007 4.115 -29.039 939 1HB GLN 110 HB2 GLN 110 -7.717 2.320 -30.675 940 2HB GLN 110 HB3 GLN 110 -6.809 1.358 -29.516 941 1HG GLN 110 HG2 GLN 110 -8.829 1.107 -28.108 942 2HG GLN 110 HG3 GLN 110 -9.696 2.257 -29.141 943 1HE2 GLN 110 2HE2 GLN 110 -7.641 -0.711 -29.782 944 2HE2 GLN 110 1HE2 GLN 110 -8.876 -1.451 -30.785 945 H ALA 111 H ALA 111 -6.721 5.243 -27.269 946 HA ALA 111 HA ALA 111 -5.675 3.724 -25.100 947 1HB ALA 111 HB1 ALA 111 -5.462 5.896 -24.005 948 2HB ALA 111 HB2 ALA 111 -5.040 6.050 -25.723 949 3HB ALA 111 HB3 ALA 111 -6.614 6.622 -25.148 950 H LEU 112 H LEU 112 -7.761 2.303 -25.144 951 HA LEU 112 HA LEU 112 -9.609 3.210 -22.948 952 1HB LEU 112 HB2 LEU 112 -10.025 1.270 -25.262 953 2HB LEU 112 HB3 LEU 112 -11.078 1.358 -23.854 954 HG LEU 112 HG LEU 112 -12.083 2.481 -25.679 955 1HD1 LEU 112 1HD1 LEU 112 -12.690 4.568 -24.663 956 2HD1 LEU 112 2HD1 LEU 112 -12.424 3.385 -23.370 957 3HD1 LEU 112 3HD1 LEU 112 -11.198 4.629 -23.713 958 1HD2 LEU 112 1HD2 LEU 112 -9.980 3.159 -26.890 959 2HD2 LEU 112 2HD2 LEU 112 -11.269 4.375 -26.844 960 3HD2 LEU 112 3HD2 LEU 112 -9.868 4.550 -25.786 Start of MODEL 18 1 1H GLY 1 H1 GLY 1 0.373 8.175 -1.062 2 2H GLY 1 H2 GLY 1 -0.988 7.611 -1.804 3 3H GLY 1 H3 GLY 1 -0.389 6.829 -0.486 4 1HA GLY 1 HA2 GLY 1 0.104 5.592 -2.439 5 2HA GLY 1 HA3 GLY 1 0.904 7.022 -3.114 6 H VAL 2 H VAL 2 2.668 7.980 -1.600 7 HA VAL 2 HA VAL 2 4.539 5.827 -1.077 8 HB VAL 2 HB VAL 2 6.144 7.703 -0.627 9 1HG1 VAL 2 1HG1 VAL 2 6.276 8.400 -2.974 10 2HG1 VAL 2 2HG1 VAL 2 5.915 6.670 -2.849 11 3HG1 VAL 2 3HG1 VAL 2 4.627 7.817 -3.267 12 1HG2 VAL 2 1HG2 VAL 2 4.460 9.456 0.095 13 2HG2 VAL 2 2HG2 VAL 2 5.575 9.977 -1.172 14 3HG2 VAL 2 3HG2 VAL 2 3.912 9.553 -1.590 15 H ARG 3 H ARG 3 2.839 5.111 0.592 16 HA ARG 3 HA ARG 3 2.158 6.339 2.888 17 1HB ARG 3 HB2 ARG 3 2.904 3.391 2.810 18 2HB ARG 3 HB3 ARG 3 1.778 4.182 3.915 19 1HG ARG 3 HG2 ARG 3 1.418 3.680 0.935 20 2HG ARG 3 HG3 ARG 3 0.506 3.014 2.283 21 1HD ARG 3 HD2 ARG 3 -0.396 5.237 2.831 22 2HD ARG 3 HD3 ARG 3 0.481 5.945 1.449 23 HE ARG 3 HE ARG 3 -1.012 3.803 0.444 24 1HH1 ARG 3 1HH2 ARG 3 -1.616 6.924 1.981 25 2HH1 ARG 3 2HH2 ARG 3 -3.141 7.189 1.183 26 1HH2 ARG 3 1HH1 ARG 3 -3.016 4.122 -0.599 27 2HH2 ARG 3 2HH1 ARG 3 -3.952 5.562 -0.314 28 H LYS 4 H LYS 4 5.146 4.395 2.734 29 HA LYS 4 HA LYS 4 5.873 5.326 5.475 30 1HB LYS 4 HB2 LYS 4 7.158 3.347 3.620 31 2HB LYS 4 HB3 LYS 4 7.624 3.638 5.295 32 1HG LYS 4 HG2 LYS 4 4.849 2.608 4.539 33 2HG LYS 4 HG3 LYS 4 6.234 1.573 4.891 34 1HD LYS 4 HD2 LYS 4 6.513 2.818 7.092 35 2HD LYS 4 HD3 LYS 4 4.977 3.596 6.761 36 1HE LYS 4 HE2 LYS 4 3.825 1.446 6.740 37 2HE LYS 4 HE3 LYS 4 5.362 0.579 6.812 38 1HZ LYS 4 HZ1 LYS 4 4.226 2.293 8.912 39 2HZ LYS 4 HZ2 LYS 4 4.378 0.652 8.949 40 3HZ LYS 4 HZ3 LYS 4 5.722 1.612 8.986 41 H GLY 5 H GLY 5 6.104 6.958 2.697 42 1HA GLY 5 HA2 GLY 5 7.538 8.590 2.000 43 2HA GLY 5 HA3 GLY 5 8.603 8.269 3.371 44 H TRP 6 H TRP 6 9.641 5.943 3.132 45 HA TRP 6 HA TRP 6 11.595 6.121 1.166 46 1HB TRP 6 HB2 TRP 6 12.318 3.922 1.772 47 2HB TRP 6 HB3 TRP 6 11.850 4.823 3.209 48 HD1 TRP 6 HD1 TRP 6 9.995 3.786 4.714 49 HE1 TRP 6 HE1 TRP 6 8.607 1.606 4.682 50 HE3 TRP 6 HE3 TRP 6 11.271 2.051 0.054 51 HZ2 TRP 6 HZ2 TRP 6 8.122 -0.549 2.886 52 HZ3 TRP 6 HZ3 TRP 6 10.277 -0.067 -0.783 53 HH2 TRP 6 HH2 TRP 6 8.743 -1.371 0.631 54 H HIS 7 H HIS 7 8.493 4.450 0.924 55 HA HIS 7 HA HIS 7 8.407 3.047 -1.359 56 1HB HIS 7 HB2 HIS 7 6.649 5.352 -0.455 57 2HB HIS 7 HB3 HIS 7 6.210 4.294 -1.810 58 HD2 HIS 7 HD2 HIS 7 4.124 3.095 -0.752 59 HE1 HIS 7 HE1 HIS 7 6.116 1.325 2.559 60 HE2 HIS 7 HE2 HIS 7 3.964 1.319 1.176 61 H GLU 8 H GLU 8 8.727 6.655 -1.257 62 HA GLU 8 HA GLU 8 8.444 7.387 -3.852 63 1HB GLU 8 HB2 GLU 8 8.735 8.767 -1.801 64 2HB GLU 8 HB3 GLU 8 10.440 8.294 -1.736 65 1HG GLU 8 HG2 GLU 8 10.780 9.355 -3.937 66 2HG GLU 8 HG3 GLU 8 9.045 9.757 -3.964 67 H HIS 9 H HIS 9 11.252 5.801 -2.344 68 HA HIS 9 HA HIS 9 12.829 5.991 -4.839 69 1HB HIS 9 HB2 HIS 9 13.577 5.291 -1.983 70 2HB HIS 9 HB3 HIS 9 14.681 5.343 -3.356 71 HD2 HIS 9 HD2 HIS 9 12.566 7.637 -1.142 72 HE1 HIS 9 HE1 HIS 9 14.684 10.219 -3.774 73 HE2 HIS 9 HE2 HIS 9 13.042 10.127 -1.829 74 H VAL 10 H VAL 10 10.459 4.036 -4.208 75 HA VAL 10 HA VAL 10 11.823 1.699 -5.372 76 HB VAL 10 HB VAL 10 10.066 1.570 -2.894 77 1HG1 VAL 10 1HG1 VAL 10 10.336 -0.873 -3.065 78 2HG1 VAL 10 2HG1 VAL 10 9.525 -0.283 -4.510 79 3HG1 VAL 10 3HG1 VAL 10 11.244 -0.700 -4.575 80 1HG2 VAL 10 1HG2 VAL 10 12.978 0.838 -3.409 81 2HG2 VAL 10 2HG2 VAL 10 12.347 2.045 -2.259 82 3HG2 VAL 10 3HG2 VAL 10 12.092 0.322 -1.978 83 H THR 11 H THR 11 10.918 2.160 -7.337 84 HA THR 11 HA THR 11 8.205 3.056 -7.645 85 HB THR 11 HB THR 11 8.928 2.827 -10.103 86 HG1 THR 11 HG1 THR 11 11.202 2.465 -10.318 87 1HG2 THR 11 1HG2 THR 11 9.141 4.935 -8.818 88 2HG2 THR 11 2HG2 THR 11 10.749 4.436 -8.253 89 3HG2 THR 11 3HG2 THR 11 10.463 4.733 -9.981 90 H GLN 12 H GLN 12 6.725 2.048 -9.130 91 HA GLN 12 HA GLN 12 5.881 -0.496 -8.525 92 1HB GLN 12 HB2 GLN 12 4.822 1.491 -9.937 93 2HB GLN 12 HB3 GLN 12 5.431 0.567 -11.314 94 1HG GLN 12 HG2 GLN 12 3.485 -0.332 -9.141 95 2HG GLN 12 HG3 GLN 12 3.093 0.000 -10.832 96 1HE2 GLN 12 2HE2 GLN 12 4.424 -1.427 -12.485 97 2HE2 GLN 12 1HE2 GLN 12 4.725 -3.087 -11.965 98 H ASP 13 H ASP 13 8.092 0.483 -11.172 99 HA ASP 13 HA ASP 13 8.456 -2.011 -12.404 100 1HB ASP 13 HB2 ASP 13 10.562 0.169 -11.975 101 2HB ASP 13 HB3 ASP 13 10.526 -1.043 -13.258 102 H LEU 14 H LEU 14 10.216 -0.614 -9.556 103 HA LEU 14 HA LEU 14 12.000 -2.886 -9.394 104 1HB LEU 14 HB2 LEU 14 12.733 -0.791 -8.520 105 2HB LEU 14 HB3 LEU 14 11.343 -0.669 -7.435 106 HG LEU 14 HG LEU 14 12.135 -2.452 -6.058 107 1HD1 LEU 14 1HD1 LEU 14 14.233 -3.669 -6.419 108 2HD1 LEU 14 2HD1 LEU 14 13.138 -4.001 -7.745 109 3HD1 LEU 14 3HD1 LEU 14 14.471 -2.872 -7.982 110 1HD2 LEU 14 1HD2 LEU 14 14.184 -1.475 -5.195 111 2HD2 LEU 14 2HD2 LEU 14 14.538 -0.713 -6.761 112 3HD2 LEU 14 3HD2 LEU 14 13.161 -0.162 -5.797 113 H ARG 15 H ARG 15 8.943 -1.930 -7.766 114 HA ARG 15 HA ARG 15 8.656 -4.162 -6.037 115 1HB ARG 15 HB2 ARG 15 6.526 -2.674 -7.615 116 2HB ARG 15 HB3 ARG 15 6.198 -3.777 -6.286 117 1HG ARG 15 HG2 ARG 15 7.318 -2.349 -4.687 118 2HG ARG 15 HG3 ARG 15 7.984 -1.343 -5.965 119 1HD ARG 15 HD2 ARG 15 5.205 -1.265 -6.424 120 2HD ARG 15 HD3 ARG 15 5.365 -1.193 -4.665 121 HE ARG 15 HE ARG 15 7.255 0.607 -5.468 122 1HH1 ARG 15 1HH1 ARG 15 3.810 0.312 -6.216 123 2HH1 ARG 15 2HH1 ARG 15 3.606 2.017 -6.517 124 1HH2 ARG 15 1HH2 ARG 15 6.998 2.738 -5.714 125 2HH2 ARG 15 2HH2 ARG 15 5.477 3.469 -6.202 126 H SER 16 H SER 16 7.661 -3.811 -9.445 127 HA SER 16 HA SER 16 6.654 -6.405 -9.915 128 1HB SER 16 HB2 SER 16 8.017 -4.476 -11.826 129 2HB SER 16 HB3 SER 16 7.046 -5.853 -12.308 130 HG SER 16 HG SER 16 6.160 -3.667 -10.711 131 H HIS 17 H HIS 17 9.976 -5.101 -10.371 132 HA HIS 17 HA HIS 17 11.127 -7.464 -11.390 133 1HB HIS 17 HB2 HIS 17 12.061 -5.125 -11.395 134 2HB HIS 17 HB3 HIS 17 12.472 -5.324 -9.690 135 HD2 HIS 17 HD2 HIS 17 13.268 -8.521 -11.526 136 HE1 HIS 17 HE1 HIS 17 16.775 -6.139 -11.884 137 HE2 HIS 17 HE2 HIS 17 15.798 -8.460 -12.221 138 H LEU 18 H LEU 18 10.828 -6.287 -8.010 139 HA LEU 18 HA LEU 18 12.165 -8.512 -6.800 140 1HB LEU 18 HB2 LEU 18 10.152 -6.498 -5.762 141 2HB LEU 18 HB3 LEU 18 10.941 -7.693 -4.717 142 HG LEU 18 HG LEU 18 12.486 -5.717 -6.447 143 1HD1 LEU 18 1HD1 LEU 18 12.739 -4.352 -4.404 144 2HD1 LEU 18 2HD1 LEU 18 11.045 -4.452 -4.928 145 3HD1 LEU 18 3HD1 LEU 18 11.613 -5.438 -3.557 146 1HD2 LEU 18 1HD2 LEU 18 13.305 -7.236 -3.940 147 2HD2 LEU 18 2HD2 LEU 18 13.812 -7.648 -5.589 148 3HD2 LEU 18 3HD2 LEU 18 14.306 -6.107 -4.876 149 H VAL 19 H VAL 19 8.669 -7.902 -7.437 150 HA VAL 19 HA VAL 19 7.639 -10.347 -6.468 151 HB VAL 19 HB VAL 19 6.843 -8.499 -8.720 152 1HG1 VAL 19 1HG1 VAL 19 4.740 -9.613 -8.987 153 2HG1 VAL 19 2HG1 VAL 19 6.011 -10.763 -9.392 154 3HG1 VAL 19 3HG1 VAL 19 5.179 -10.865 -7.820 155 1HG2 VAL 19 1HG2 VAL 19 5.558 -9.186 -6.043 156 2HG2 VAL 19 2HG2 VAL 19 6.537 -7.751 -6.373 157 3HG2 VAL 19 3HG2 VAL 19 4.996 -7.955 -7.201 158 H HIS 20 H HIS 20 9.004 -9.615 -9.725 159 HA HIS 20 HA HIS 20 8.808 -12.224 -10.757 160 1HB HIS 20 HB2 HIS 20 9.450 -10.108 -11.996 161 2HB HIS 20 HB3 HIS 20 11.070 -10.289 -11.329 162 HD2 HIS 20 HD2 HIS 20 11.815 -10.328 -13.901 163 HE1 HIS 20 HE1 HIS 20 10.145 -14.098 -14.924 164 HE2 HIS 20 HE2 HIS 20 11.687 -12.235 -15.704 165 H LYS 21 H LYS 21 11.553 -10.734 -8.905 166 HA LYS 21 HA LYS 21 13.163 -13.050 -8.765 167 1HB LYS 21 HB2 LYS 21 12.825 -10.899 -6.646 168 2HB LYS 21 HB3 LYS 21 14.032 -12.168 -6.614 169 1HG LYS 21 HG2 LYS 21 13.863 -9.971 -8.710 170 2HG LYS 21 HG3 LYS 21 14.945 -10.099 -7.334 171 1HD LYS 21 HD2 LYS 21 15.816 -12.295 -8.265 172 2HD LYS 21 HD3 LYS 21 14.884 -11.965 -9.737 173 1HE LYS 21 HE2 LYS 21 17.188 -11.290 -10.057 174 2HE LYS 21 HE3 LYS 21 16.148 -9.856 -10.070 175 1HZ LYS 21 HZ1 LYS 21 17.724 -10.773 -7.747 176 2HZ LYS 21 HZ2 LYS 21 18.165 -9.583 -8.792 177 3HZ LYS 21 HZ3 LYS 21 16.833 -9.394 -7.840 178 H LEU 22 H LEU 22 10.396 -12.153 -6.617 179 HA LEU 22 HA LEU 22 10.677 -14.400 -4.878 180 1HB LEU 22 HB2 LEU 22 8.066 -13.161 -5.805 181 2HB LEU 22 HB3 LEU 22 8.295 -14.224 -4.432 182 HG LEU 22 HG LEU 22 9.312 -11.378 -4.716 183 1HD1 LEU 22 1HD1 LEU 22 7.824 -10.991 -2.786 184 2HD1 LEU 22 2HD1 LEU 22 6.925 -11.617 -4.177 185 3HD1 LEU 22 3HD1 LEU 22 7.340 -12.700 -2.828 186 1HD2 LEU 22 1HD2 LEU 22 10.159 -11.655 -2.390 187 2HD2 LEU 22 2HD2 LEU 22 9.797 -13.392 -2.491 188 3HD2 LEU 22 3HD2 LEU 22 11.012 -12.649 -3.570 189 H VAL 23 H VAL 23 8.775 -14.109 -7.923 190 HA VAL 23 HA VAL 23 7.941 -16.821 -7.927 191 HB VAL 23 HB VAL 23 8.486 -15.145 -10.393 192 1HG1 VAL 23 1HG1 VAL 23 6.881 -16.660 -11.466 193 2HG1 VAL 23 2HG1 VAL 23 8.235 -17.613 -10.867 194 3HG1 VAL 23 3HG1 VAL 23 6.703 -17.615 -9.982 195 1HG2 VAL 23 1HG2 VAL 23 6.859 -14.007 -8.926 196 2HG2 VAL 23 2HG2 VAL 23 6.034 -14.709 -10.316 197 3HG2 VAL 23 3HG2 VAL 23 5.944 -15.515 -8.737 198 H GLN 24 H GLN 24 10.885 -15.394 -9.522 199 HA GLN 24 HA GLN 24 11.885 -17.856 -10.495 200 1HB GLN 24 HB2 GLN 24 13.543 -15.510 -9.438 201 2HB GLN 24 HB3 GLN 24 14.100 -16.812 -10.494 202 1HG GLN 24 HG2 GLN 24 12.258 -14.516 -11.187 203 2HG GLN 24 HG3 GLN 24 13.788 -14.974 -11.911 204 1HE2 GLN 24 2HE2 GLN 24 10.545 -14.905 -12.575 205 2HE2 GLN 24 1HE2 GLN 24 10.521 -16.285 -13.684 206 H ALA 25 H ALA 25 12.469 -16.344 -7.313 207 HA ALA 25 HA ALA 25 14.387 -18.199 -6.403 208 1HB ALA 25 HB1 ALA 25 13.971 -16.009 -5.346 209 2HB ALA 25 HB2 ALA 25 12.385 -16.574 -4.774 210 3HB ALA 25 HB3 ALA 25 13.875 -17.340 -4.179 211 H ILE 26 H ILE 26 10.799 -18.231 -6.108 212 HA ILE 26 HA ILE 26 10.738 -20.735 -4.637 213 HB ILE 26 HB ILE 26 8.626 -19.249 -6.247 214 1HG1 ILE 26 2HG1 ILE 26 9.062 -19.381 -3.234 215 2HG1 ILE 26 3HG1 ILE 26 9.651 -18.051 -4.227 216 1HG2 ILE 26 1HG2 ILE 26 6.983 -20.633 -5.004 217 2HG2 ILE 26 2HG2 ILE 26 8.029 -21.653 -5.975 218 3HG2 ILE 26 3HG2 ILE 26 8.311 -21.522 -4.229 219 1HD1 ILE 26 1HD1 ILE 26 7.336 -17.571 -4.998 220 2HD1 ILE 26 2HD1 ILE 26 6.730 -18.767 -3.824 221 3HD1 ILE 26 3HD1 ILE 26 7.602 -17.336 -3.260 222 H PHE 27 H PHE 27 10.200 -19.806 -8.011 223 HA PHE 27 HA PHE 27 10.603 -22.549 -9.073 224 1HB PHE 27 HB2 PHE 27 8.230 -22.105 -8.396 225 2HB PHE 27 HB3 PHE 27 8.174 -20.778 -9.538 226 HD1 PHE 27 HD1 PHE 27 9.107 -21.695 -12.098 227 HD2 PHE 27 HD2 PHE 27 6.921 -23.878 -9.060 228 HE1 PHE 27 HE1 PHE 27 7.857 -22.827 -13.817 229 HE2 PHE 27 HE2 PHE 27 5.672 -25.030 -10.821 230 HZ PHE 27 HZ PHE 27 6.153 -24.569 -13.225 231 HA PRO 28 HA PRO 28 12.762 -19.401 -11.738 232 1HB PRO 28 HB2 PRO 28 13.845 -22.013 -12.710 233 2HB PRO 28 HB3 PRO 28 14.708 -20.465 -12.501 234 1HG PRO 28 HG2 PRO 28 14.999 -22.416 -10.638 235 2HG PRO 28 HG3 PRO 28 14.701 -20.734 -10.103 236 1HD PRO 28 HD2 PRO 28 12.687 -22.987 -10.352 237 2HD PRO 28 HD3 PRO 28 12.926 -21.829 -9.006 238 H THR 29 H THR 29 11.644 -18.656 -13.601 239 HA THR 29 HA THR 29 9.642 -20.417 -14.785 240 HB THR 29 HB THR 29 9.097 -18.339 -16.065 241 HG1 THR 29 HG1 THR 29 11.355 -17.560 -15.750 242 1HG2 THR 29 1HG2 THR 29 8.221 -17.131 -14.095 243 2HG2 THR 29 2HG2 THR 29 7.987 -18.882 -13.946 244 3HG2 THR 29 3HG2 THR 29 9.276 -18.083 -13.026 245 HA PRO 30 HA PRO 30 12.508 -21.743 -18.058 246 1HB PRO 30 HB2 PRO 30 9.834 -22.186 -19.397 247 2HB PRO 30 HB3 PRO 30 11.294 -23.215 -19.463 248 1HG PRO 30 HG2 PRO 30 9.293 -23.868 -17.761 249 2HG PRO 30 HG3 PRO 30 10.982 -23.892 -17.171 250 1HD PRO 30 HD2 PRO 30 8.899 -21.738 -16.760 251 2HD PRO 30 HD3 PRO 30 10.060 -22.450 -15.598 252 H ASP 31 H ASP 31 9.715 -19.535 -18.751 253 HA ASP 31 HA ASP 31 11.390 -17.948 -20.546 254 1HB ASP 31 HB2 ASP 31 10.535 -19.866 -21.950 255 2HB ASP 31 HB3 ASP 31 8.886 -19.371 -21.568 256 HA PRO 32 HA PRO 32 8.663 -14.781 -18.801 257 1HB PRO 32 HB2 PRO 32 8.829 -13.767 -21.659 258 2HB PRO 32 HB3 PRO 32 8.823 -12.815 -20.144 259 1HG PRO 32 HG2 PRO 32 11.183 -13.372 -21.340 260 2HG PRO 32 HG3 PRO 32 11.026 -13.613 -19.574 261 1HD PRO 32 HD2 PRO 32 10.929 -15.686 -21.761 262 2HD PRO 32 HD3 PRO 32 11.725 -15.758 -20.161 263 H ALA 33 H ALA 33 7.813 -16.095 -22.078 264 HA ALA 33 HA ALA 33 5.078 -15.415 -22.044 265 1HB ALA 33 HB1 ALA 33 6.298 -16.261 -24.027 266 2HB ALA 33 HB2 ALA 33 6.397 -17.872 -23.276 267 3HB ALA 33 HB3 ALA 33 4.818 -17.190 -23.714 268 H ALA 34 H ALA 34 6.788 -18.005 -20.358 269 HA ALA 34 HA ALA 34 4.567 -19.712 -19.830 270 1HB ALA 34 HB1 ALA 34 7.006 -19.336 -18.055 271 2HB ALA 34 HB2 ALA 34 5.967 -20.759 -18.204 272 3HB ALA 34 HB3 ALA 34 7.023 -20.294 -19.557 273 H LEU 35 H LEU 35 5.454 -16.560 -18.512 274 HA LEU 35 HA LEU 35 4.167 -16.716 -16.002 275 1HB LEU 35 HB2 LEU 35 4.417 -14.365 -17.885 276 2HB LEU 35 HB3 LEU 35 3.914 -14.263 -16.196 277 HG LEU 35 HG LEU 35 6.634 -15.378 -17.029 278 1HD1 LEU 35 1HD1 LEU 35 7.545 -13.192 -16.379 279 2HD1 LEU 35 2HD1 LEU 35 6.413 -13.015 -17.730 280 3HD1 LEU 35 3HD1 LEU 35 5.904 -12.575 -16.085 281 1HD2 LEU 35 1HD2 LEU 35 7.218 -14.879 -14.671 282 2HD2 LEU 35 2HD2 LEU 35 5.529 -14.447 -14.349 283 3HD2 LEU 35 3HD2 LEU 35 5.963 -16.113 -14.795 284 H LYS 36 H LYS 36 2.715 -16.681 -19.240 285 HA LYS 36 HA LYS 36 0.110 -15.842 -18.329 286 1HB LYS 36 HB2 LYS 36 1.019 -17.379 -20.778 287 2HB LYS 36 HB3 LYS 36 -0.564 -16.647 -20.572 288 1HG LYS 36 HG2 LYS 36 2.122 -15.186 -20.713 289 2HG LYS 36 HG3 LYS 36 0.892 -15.250 -21.955 290 1HD LYS 36 HD2 LYS 36 0.697 -13.859 -19.242 291 2HD LYS 36 HD3 LYS 36 0.813 -13.104 -20.830 292 1HE LYS 36 HE2 LYS 36 -1.409 -14.089 -21.450 293 2HE LYS 36 HE3 LYS 36 -1.553 -14.754 -19.810 294 1HZ LYS 36 HZ1 LYS 36 -1.313 -11.911 -20.458 295 2HZ LYS 36 HZ2 LYS 36 -2.691 -12.700 -20.015 296 3HZ LYS 36 HZ3 LYS 36 -1.447 -12.557 -18.946 297 H ASP 37 H ASP 37 1.793 -18.875 -17.975 298 HA ASP 37 HA ASP 37 -0.418 -20.682 -18.209 299 1HB ASP 37 HB2 ASP 37 1.855 -21.522 -18.168 300 2HB ASP 37 HB3 ASP 37 2.168 -20.751 -16.604 301 H ARG 38 H ARG 38 -2.114 -21.107 -16.788 302 HA ARG 38 HA ARG 38 -2.926 -19.308 -14.898 303 1HB ARG 38 HB2 ARG 38 -3.503 -22.285 -15.069 304 2HB ARG 38 HB3 ARG 38 -4.329 -21.231 -13.934 305 1HG ARG 38 HG2 ARG 38 -4.364 -20.893 -16.973 306 2HG ARG 38 HG3 ARG 38 -5.635 -21.631 -15.992 307 1HD ARG 38 HD2 ARG 38 -4.764 -18.726 -15.990 308 2HD ARG 38 HD3 ARG 38 -6.304 -19.387 -16.483 309 HE ARG 38 HE ARG 38 -6.717 -20.114 -14.163 310 1HH1 ARG 38 1HH2 ARG 38 -4.486 -17.341 -14.629 311 2HH1 ARG 38 2HH2 ARG 38 -4.791 -16.726 -13.035 312 1HH2 ARG 38 2HH1 ARG 38 -7.100 -19.234 -12.139 313 2HH2 ARG 38 1HH1 ARG 38 -6.310 -17.766 -11.632 314 H ARG 39 H ARG 39 -1.187 -22.368 -13.992 315 HA ARG 39 HA ARG 39 -1.174 -21.806 -11.205 316 1HB ARG 39 HB2 ARG 39 0.894 -23.311 -12.859 317 2HB ARG 39 HB3 ARG 39 0.778 -23.312 -11.105 318 1HG ARG 39 HG2 ARG 39 -0.733 -24.941 -11.121 319 2HG ARG 39 HG3 ARG 39 -1.840 -24.001 -12.123 320 1HD ARG 39 HD2 ARG 39 0.505 -25.643 -13.183 321 2HD ARG 39 HD3 ARG 39 -1.138 -26.247 -13.102 322 HE ARG 39 HE ARG 39 -0.002 -24.334 -15.006 323 1HH1 ARG 39 1HH2 ARG 39 -3.028 -25.427 -13.556 324 2HH1 ARG 39 2HH2 ARG 39 -3.992 -25.131 -14.978 325 1HH2 ARG 39 1HH1 ARG 39 -1.208 -23.996 -16.879 326 2HH2 ARG 39 2HH1 ARG 39 -2.937 -24.263 -16.911 327 H MET 40 H MET 40 1.122 -20.877 -13.823 328 HA MET 40 HA MET 40 2.929 -19.635 -12.037 329 1HB MET 40 HB2 MET 40 3.434 -20.346 -14.406 330 2HB MET 40 HB3 MET 40 2.513 -18.948 -14.980 331 1HG MET 40 HG2 MET 40 4.972 -18.575 -14.885 332 2HG MET 40 HG3 MET 40 4.025 -17.423 -13.922 333 1HE MET 40 HE1 MET 40 6.226 -20.713 -13.658 334 2HE MET 40 HE2 MET 40 6.370 -20.798 -11.882 335 3HE MET 40 HE3 MET 40 4.801 -21.082 -12.650 336 H GLU 41 H GLU 41 0.154 -18.300 -13.861 337 HA GLU 41 HA GLU 41 0.370 -15.619 -13.002 338 1HB GLU 41 HB2 GLU 41 -2.108 -17.266 -13.619 339 2HB GLU 41 HB3 GLU 41 -2.098 -15.515 -13.355 340 1HG GLU 41 HG2 GLU 41 -0.500 -15.225 -15.232 341 2HG GLU 41 HG3 GLU 41 -0.558 -16.962 -15.550 342 H ASN 42 H ASN 42 -0.957 -18.476 -11.365 343 HA ASN 42 HA ASN 42 -1.939 -17.007 -9.063 344 1HB ASN 42 HB2 ASN 42 -1.343 -19.949 -9.483 345 2HB ASN 42 HB3 ASN 42 -1.712 -19.275 -7.905 346 1HD2 ASN 42 2HD2 ASN 42 -3.017 -19.359 -11.289 347 2HD2 ASN 42 1HD2 ASN 42 -4.693 -19.359 -10.769 348 H LEU 43 H LEU 43 1.223 -18.599 -9.759 349 HA LEU 43 HA LEU 43 2.385 -17.954 -7.195 350 1HB LEU 43 HB2 LEU 43 3.643 -18.479 -9.916 351 2HB LEU 43 HB3 LEU 43 4.575 -17.842 -8.569 352 HG LEU 43 HG LEU 43 3.729 -19.821 -7.164 353 1HD1 LEU 43 1HD1 LEU 43 3.259 -21.863 -8.516 354 2HD1 LEU 43 2HD1 LEU 43 1.986 -20.646 -8.695 355 3HD1 LEU 43 3HD1 LEU 43 3.209 -20.859 -9.980 356 1HD2 LEU 43 1HD2 LEU 43 5.550 -21.246 -8.040 357 2HD2 LEU 43 2HD2 LEU 43 5.634 -20.240 -9.501 358 3HD2 LEU 43 3HD2 LEU 43 6.041 -19.547 -7.912 359 H VAL 44 H VAL 44 2.347 -16.174 -10.292 360 HA VAL 44 HA VAL 44 3.710 -13.842 -9.481 361 HB VAL 44 HB VAL 44 1.516 -14.378 -11.482 362 1HG1 VAL 44 1HG1 VAL 44 1.277 -12.000 -10.936 363 2HG1 VAL 44 2HG1 VAL 44 3.039 -11.772 -11.055 364 3HG1 VAL 44 3HG1 VAL 44 2.080 -12.155 -12.501 365 1HG2 VAL 44 1HG2 VAL 44 3.811 -15.348 -11.892 366 2HG2 VAL 44 2HG2 VAL 44 3.291 -14.194 -13.130 367 3HG2 VAL 44 3HG2 VAL 44 4.455 -13.698 -11.885 368 H ALA 45 H ALA 45 0.169 -14.566 -9.299 369 HA ALA 45 HA ALA 45 -0.596 -12.157 -8.070 370 1HB ALA 45 HB1 ALA 45 -1.837 -14.913 -7.693 371 2HB ALA 45 HB2 ALA 45 -2.606 -13.353 -7.353 372 3HB ALA 45 HB3 ALA 45 -2.181 -13.785 -9.021 373 H TYR 46 H TYR 46 0.296 -15.274 -6.483 374 HA TYR 46 HA TYR 46 0.114 -14.397 -3.789 375 1HB TYR 46 HB2 TYR 46 0.423 -16.746 -4.367 376 2HB TYR 46 HB3 TYR 46 1.972 -16.419 -5.131 377 HD1 TYR 46 HD1 TYR 46 4.008 -16.137 -3.848 378 HD2 TYR 46 HD2 TYR 46 0.206 -16.538 -1.851 379 HE1 TYR 46 HE1 TYR 46 5.170 -16.307 -1.675 380 HE2 TYR 46 HE2 TYR 46 1.383 -16.785 0.321 381 HH TYR 46 HH TYR 46 4.938 -16.863 0.558 382 H ALA 47 H ALA 47 2.918 -14.287 -6.030 383 HA ALA 47 HA ALA 47 4.720 -13.117 -4.193 384 1HB ALA 47 HB1 ALA 47 4.603 -13.026 -7.239 385 2HB ALA 47 HB2 ALA 47 5.974 -12.453 -6.272 386 3HB ALA 47 HB3 ALA 47 5.505 -14.166 -6.225 387 H LYS 48 H LYS 48 2.506 -11.540 -6.563 388 HA LYS 48 HA LYS 48 3.193 -8.847 -5.965 389 1HB LYS 48 HB2 LYS 48 0.595 -10.112 -6.917 390 2HB LYS 48 HB3 LYS 48 0.802 -8.371 -6.684 391 1HG LYS 48 HG2 LYS 48 2.664 -8.324 -8.271 392 2HG LYS 48 HG3 LYS 48 2.516 -10.076 -8.531 393 1HD LYS 48 HD2 LYS 48 0.267 -9.807 -9.439 394 2HD LYS 48 HD3 LYS 48 0.277 -8.071 -9.059 395 1HE LYS 48 HE2 LYS 48 2.143 -7.700 -10.628 396 2HE LYS 48 HE3 LYS 48 2.211 -9.434 -10.992 397 1HZ LYS 48 HZ1 LYS 48 -0.005 -9.276 -11.863 398 2HZ LYS 48 HZ2 LYS 48 -0.071 -7.664 -11.520 399 3HZ LYS 48 HZ3 LYS 48 0.999 -8.226 -12.639 400 H LYS 49 H LYS 49 0.628 -10.929 -4.551 401 HA LYS 49 HA LYS 49 -0.376 -9.114 -2.649 402 1HB LYS 49 HB2 LYS 49 -0.134 -12.133 -2.690 403 2HB LYS 49 HB3 LYS 49 -0.932 -11.297 -1.369 404 1HG LYS 49 HG2 LYS 49 -2.549 -10.307 -2.894 405 2HG LYS 49 HG3 LYS 49 -1.714 -10.986 -4.302 406 1HD LYS 49 HD2 LYS 49 -2.143 -13.282 -3.461 407 2HD LYS 49 HD3 LYS 49 -2.986 -12.612 -2.049 408 1HE LYS 49 HE2 LYS 49 -4.668 -11.564 -3.555 409 2HE LYS 49 HE3 LYS 49 -3.815 -12.222 -4.966 410 1HZ LYS 49 HZ1 LYS 49 -4.259 -14.415 -4.133 411 2HZ LYS 49 HZ2 LYS 49 -5.053 -13.803 -2.824 412 3HZ LYS 49 HZ3 LYS 49 -5.663 -13.576 -4.338 413 H VAL 50 H VAL 50 2.197 -11.590 -2.158 414 HA VAL 50 HA VAL 50 2.644 -10.739 0.509 415 HB VAL 50 HB VAL 50 3.310 -12.970 -0.946 416 1HG1 VAL 50 1HG1 VAL 50 5.977 -11.696 -0.236 417 2HG1 VAL 50 2HG1 VAL 50 5.685 -13.346 -0.809 418 3HG1 VAL 50 3HG1 VAL 50 5.350 -11.976 -1.885 419 1HG2 VAL 50 1HG2 VAL 50 4.295 -13.777 1.138 420 2HG2 VAL 50 2HG2 VAL 50 4.407 -12.109 1.751 421 3HG2 VAL 50 3HG2 VAL 50 2.819 -12.852 1.446 422 H GLU 51 H GLU 51 4.399 -9.877 -2.541 423 HA GLU 51 HA GLU 51 6.344 -8.255 -1.298 424 1HB GLU 51 HB2 GLU 51 6.508 -8.984 -3.591 425 2HB GLU 51 HB3 GLU 51 5.059 -8.075 -4.032 426 1HG GLU 51 HG2 GLU 51 7.444 -6.656 -2.782 427 2HG GLU 51 HG3 GLU 51 7.491 -7.081 -4.486 428 H GLY 52 H GLY 52 3.044 -7.434 -2.466 429 1HA GLY 52 HA2 GLY 52 2.996 -4.702 -1.799 430 2HA GLY 52 HA3 GLY 52 1.602 -5.799 -1.777 431 H ASP 53 H ASP 53 2.076 -7.551 0.224 432 HA ASP 53 HA ASP 53 1.488 -6.156 2.584 433 1HB ASP 53 HB2 ASP 53 1.047 -8.567 2.277 434 2HB ASP 53 HB3 ASP 53 2.787 -8.898 2.344 435 H MET 54 H MET 54 4.695 -7.477 1.558 436 HA MET 54 HA MET 54 6.095 -6.449 3.822 437 1HB MET 54 HB2 MET 54 7.181 -6.925 1.023 438 2HB MET 54 HB3 MET 54 8.129 -6.636 2.473 439 1HG MET 54 HG2 MET 54 6.389 -9.033 1.864 440 2HG MET 54 HG3 MET 54 8.126 -8.968 2.124 441 1HE MET 54 HE1 MET 54 6.264 -11.111 3.331 442 2HE MET 54 HE2 MET 54 8.043 -10.954 3.451 443 3HE MET 54 HE3 MET 54 7.067 -11.260 4.922 444 H TYR 55 H TYR 55 5.374 -4.960 0.654 445 HA TYR 55 HA TYR 55 6.904 -2.644 0.902 446 1HB TYR 55 HB2 TYR 55 5.576 -3.484 -1.108 447 2HB TYR 55 HB3 TYR 55 4.151 -2.753 -0.384 448 HD1 TYR 55 HD1 TYR 55 7.691 -1.884 -1.329 449 HD2 TYR 55 HD2 TYR 55 3.573 -0.635 -1.268 450 HE1 TYR 55 HE1 TYR 55 8.316 0.225 -2.433 451 HE2 TYR 55 HE2 TYR 55 4.187 1.392 -2.557 452 HH TYR 55 HH TYR 55 7.487 2.100 -3.646 453 H GLU 56 H GLU 56 3.549 -3.248 2.087 454 HA GLU 56 HA GLU 56 3.457 -0.634 3.402 455 1HB GLU 56 HB2 GLU 56 1.666 -3.073 3.652 456 2HB GLU 56 HB3 GLU 56 1.283 -1.420 4.150 457 1HG GLU 56 HG2 GLU 56 1.769 -2.338 1.282 458 2HG GLU 56 HG3 GLU 56 0.223 -1.979 2.008 459 H SER 57 H SER 57 4.317 -3.910 4.490 460 HA SER 57 HA SER 57 4.154 -3.221 7.285 461 1HB SER 57 HB2 SER 57 5.793 -5.414 5.951 462 2HB SER 57 HB3 SER 57 5.380 -5.288 7.669 463 HG SER 57 HG SER 57 3.570 -5.589 5.494 464 H ALA 58 H ALA 58 6.872 -3.284 4.965 465 HA ALA 58 HA ALA 58 8.969 -2.866 6.851 466 1HB ALA 58 HB1 ALA 58 8.761 -2.453 3.865 467 2HB ALA 58 HB2 ALA 58 10.262 -2.294 4.798 468 3HB ALA 58 HB3 ALA 58 9.405 -3.852 4.738 469 H ASN 59 H ASN 59 9.569 -1.078 7.928 470 HA ASN 59 HA ASN 59 8.451 1.545 7.098 471 1HB ASN 59 HB2 ASN 59 8.372 0.428 9.485 472 2HB ASN 59 HB3 ASN 59 9.991 1.116 9.647 473 1HD2 ASN 59 2HD2 ASN 59 10.006 3.581 8.781 474 2HD2 ASN 59 1HD2 ASN 59 8.668 4.549 9.403 475 H SER 60 H SER 60 10.829 0.067 5.790 476 HA SER 60 HA SER 60 12.348 2.379 5.132 477 1HB SER 60 HB2 SER 60 13.596 0.355 7.033 478 2HB SER 60 HB3 SER 60 14.580 1.251 5.862 479 HG SER 60 HG SER 60 12.814 2.597 7.595 480 H ARG 61 H ARG 61 13.447 1.958 3.189 481 HA ARG 61 HA ARG 61 12.784 -0.220 1.557 482 1HB ARG 61 HB2 ARG 61 13.677 1.858 0.678 483 2HB ARG 61 HB3 ARG 61 15.223 1.601 1.508 484 1HG ARG 61 HG2 ARG 61 15.676 -0.379 0.146 485 2HG ARG 61 HG3 ARG 61 14.092 -0.253 -0.638 486 1HD ARG 61 HD2 ARG 61 14.714 1.829 -1.675 487 2HD ARG 61 HD3 ARG 61 16.212 1.919 -0.748 488 HE ARG 61 HE ARG 61 16.835 -0.280 -1.843 489 1HH1 ARG 61 1HH1 ARG 61 14.900 2.158 -3.725 490 2HH1 ARG 61 2HH1 ARG 61 15.736 1.750 -5.171 491 1HH2 ARG 61 1HH2 ARG 61 17.827 -0.710 -3.757 492 2HH2 ARG 61 2HH2 ARG 61 17.346 0.098 -5.233 493 H ASP 62 H ASP 62 15.666 0.276 3.589 494 HA ASP 62 HA ASP 62 17.056 -2.098 3.199 495 1HB ASP 62 HB2 ASP 62 17.881 -0.289 4.616 496 2HB ASP 62 HB3 ASP 62 16.613 -0.610 5.812 497 H GLU 63 H GLU 63 14.348 -1.580 5.519 498 HA GLU 63 HA GLU 63 14.282 -4.266 6.482 499 1HB GLU 63 HB2 GLU 63 13.210 -2.449 7.700 500 2HB GLU 63 HB3 GLU 63 12.021 -2.203 6.402 501 1HG GLU 63 HG2 GLU 63 10.990 -4.300 6.771 502 2HG GLU 63 HG3 GLU 63 12.290 -4.882 7.813 503 H TYR 64 H TYR 64 12.400 -2.577 3.934 504 HA TYR 64 HA TYR 64 10.799 -4.671 3.048 505 1HB TYR 64 HB2 TYR 64 10.485 -2.451 2.292 506 2HB TYR 64 HB3 TYR 64 12.081 -2.368 1.593 507 HD1 TYR 64 HD1 TYR 64 12.357 -2.641 -0.680 508 HD2 TYR 64 HD2 TYR 64 8.906 -4.355 1.258 509 HE1 TYR 64 HE1 TYR 64 11.295 -2.990 -2.876 510 HE2 TYR 64 HE2 TYR 64 7.850 -4.725 -0.952 511 HH TYR 64 HH TYR 64 7.961 -4.179 -3.205 512 H TYR 65 H TYR 65 14.135 -3.946 1.854 513 HA TYR 65 HA TYR 65 14.281 -6.302 0.206 514 1HB TYR 65 HB2 TYR 65 16.265 -4.383 1.397 515 2HB TYR 65 HB3 TYR 65 16.855 -5.955 0.886 516 HD1 TYR 65 HD1 TYR 65 15.244 -2.838 -0.360 517 HD2 TYR 65 HD2 TYR 65 16.866 -6.683 -1.404 518 HE1 TYR 65 HE1 TYR 65 15.303 -2.166 -2.742 519 HE2 TYR 65 HE2 TYR 65 17.034 -5.979 -3.771 520 HH TYR 65 HH TYR 65 15.858 -2.799 -4.883 521 H HIS 66 H HIS 66 15.437 -5.754 3.577 522 HA HIS 66 HA HIS 66 16.522 -8.294 3.959 523 1HB HIS 66 HB2 HIS 66 16.944 -6.445 5.466 524 2HB HIS 66 HB3 HIS 66 15.258 -6.447 5.999 525 HD2 HIS 66 HD2 HIS 66 14.694 -7.948 8.051 526 HE1 HIS 66 HE1 HIS 66 18.056 -10.560 7.964 527 HE2 HIS 66 HE2 HIS 66 15.935 -9.937 9.230 528 H LEU 67 H LEU 67 13.200 -7.289 5.029 529 HA LEU 67 HA LEU 67 12.679 -9.994 5.845 530 1HB LEU 67 HB2 LEU 67 10.323 -9.342 6.181 531 2HB LEU 67 HB3 LEU 67 11.555 -8.566 7.168 532 HG LEU 67 HG LEU 67 11.339 -6.497 6.043 533 1HD1 LEU 67 1HD1 LEU 67 9.560 -6.221 4.227 534 2HD1 LEU 67 2HD1 LEU 67 11.032 -7.073 3.754 535 3HD1 LEU 67 3HD1 LEU 67 9.558 -7.993 4.084 536 1HD2 LEU 67 1HD2 LEU 67 8.581 -7.635 6.556 537 2HD2 LEU 67 2HD2 LEU 67 9.693 -6.930 7.768 538 3HD2 LEU 67 3HD2 LEU 67 9.010 -5.915 6.486 539 H LEU 68 H LEU 68 12.296 -8.425 2.700 540 HA LEU 68 HA LEU 68 10.594 -10.542 1.688 541 1HB LEU 68 HB2 LEU 68 12.446 -8.519 0.380 542 2HB LEU 68 HB3 LEU 68 11.777 -9.845 -0.566 543 HG LEU 68 HG LEU 68 10.012 -7.946 1.012 544 1HD1 LEU 68 1HD1 LEU 68 11.204 -6.634 -0.689 545 2HD1 LEU 68 2HD1 LEU 68 10.850 -7.862 -1.923 546 3HD1 LEU 68 3HD1 LEU 68 9.531 -6.916 -1.214 547 1HD2 LEU 68 1HD2 LEU 68 9.017 -10.216 0.290 548 2HD2 LEU 68 2HD2 LEU 68 8.252 -8.805 -0.431 549 3HD2 LEU 68 3HD2 LEU 68 9.404 -9.756 -1.375 550 H ALA 69 H ALA 69 14.170 -10.006 1.657 551 HA ALA 69 HA ALA 69 14.858 -12.492 0.467 552 1HB ALA 69 HB1 ALA 69 17.044 -12.185 1.529 553 2HB ALA 69 HB2 ALA 69 16.461 -10.645 0.867 554 3HB ALA 69 HB3 ALA 69 16.380 -10.947 2.615 555 H GLU 70 H GLU 70 14.384 -11.690 3.956 556 HA GLU 70 HA GLU 70 14.821 -14.278 4.942 557 1HB GLU 70 HB2 GLU 70 14.618 -12.148 6.273 558 2HB GLU 70 HB3 GLU 70 12.864 -12.202 6.004 559 1HG GLU 70 HG2 GLU 70 13.439 -13.059 8.197 560 2HG GLU 70 HG3 GLU 70 12.713 -14.341 7.219 561 H LYS 71 H LYS 71 11.729 -12.774 3.805 562 HA LYS 71 HA LYS 71 10.041 -14.928 4.378 563 1HB LYS 71 HB2 LYS 71 9.309 -12.711 3.775 564 2HB LYS 71 HB3 LYS 71 9.901 -12.906 2.123 565 1HG LYS 71 HG2 LYS 71 7.501 -13.136 2.232 566 2HG LYS 71 HG3 LYS 71 8.235 -14.650 1.703 567 1HD LYS 71 HD2 LYS 71 7.846 -15.704 3.791 568 2HD LYS 71 HD3 LYS 71 7.549 -14.156 4.618 569 1HE LYS 71 HE2 LYS 71 5.445 -13.860 3.393 570 2HE LYS 71 HE3 LYS 71 5.730 -15.355 2.482 571 1HZ LYS 71 HZ1 LYS 71 4.253 -15.705 4.295 572 2HZ LYS 71 HZ2 LYS 71 5.644 -16.550 4.549 573 3HZ LYS 71 HZ3 LYS 71 5.361 -15.157 5.385 574 H ILE 72 H ILE 72 11.842 -14.236 1.329 575 HA ILE 72 HA ILE 72 11.160 -16.578 -0.122 576 HB ILE 72 HB ILE 72 13.758 -15.004 0.002 577 1HG1 ILE 72 2HG1 ILE 72 11.587 -14.969 -2.117 578 2HG1 ILE 72 3HG1 ILE 72 11.723 -13.781 -0.801 579 1HG2 ILE 72 1HG2 ILE 72 12.942 -17.182 -1.953 580 2HG2 ILE 72 2HG2 ILE 72 14.325 -16.068 -2.166 581 3HG2 ILE 72 3HG2 ILE 72 14.311 -17.193 -0.825 582 1HD1 ILE 72 1HD1 ILE 72 14.182 -13.475 -1.612 583 2HD1 ILE 72 2HD1 ILE 72 13.582 -14.166 -3.140 584 3HD1 ILE 72 3HD1 ILE 72 12.859 -12.692 -2.468 585 H TYR 73 H TYR 73 13.889 -16.009 2.112 586 HA TYR 73 HA TYR 73 15.125 -18.493 1.996 587 1HB TYR 73 HB2 TYR 73 15.743 -16.249 3.082 588 2HB TYR 73 HB3 TYR 73 14.923 -16.837 4.513 589 HD1 TYR 73 HD1 TYR 73 16.006 -19.795 4.257 590 HD2 TYR 73 HD2 TYR 73 17.921 -15.947 3.885 591 HE1 TYR 73 HE1 TYR 73 17.938 -20.624 5.534 592 HE2 TYR 73 HE2 TYR 73 19.778 -16.739 5.256 593 HH TYR 73 HH TYR 73 20.516 -18.422 6.689 594 H LYS 74 H LYS 74 12.664 -17.418 4.378 595 HA LYS 74 HA LYS 74 12.328 -19.943 5.655 596 1HB LYS 74 HB2 LYS 74 10.371 -17.616 5.342 597 2HB LYS 74 HB3 LYS 74 10.117 -19.041 6.362 598 1HG LYS 74 HG2 LYS 74 12.232 -18.524 7.613 599 2HG LYS 74 HG3 LYS 74 12.419 -17.061 6.648 600 1HD LYS 74 HD2 LYS 74 11.457 -16.437 8.745 601 2HD LYS 74 HD3 LYS 74 10.205 -16.238 7.508 602 1HE LYS 74 HE2 LYS 74 9.144 -18.370 8.214 603 2HE LYS 74 HE3 LYS 74 10.479 -18.686 9.333 604 1HZ LYS 74 HZ1 LYS 74 8.590 -16.443 9.494 605 2HZ LYS 74 HZ2 LYS 74 8.575 -17.797 10.433 606 3HZ LYS 74 HZ3 LYS 74 9.826 -16.732 10.546 607 H ILE 75 H ILE 75 10.398 -18.501 2.929 608 HA ILE 75 HA ILE 75 8.618 -20.681 2.526 609 HB ILE 75 HB ILE 75 9.908 -18.785 0.527 610 1HG1 ILE 75 2HG1 ILE 75 7.097 -18.917 1.735 611 2HG1 ILE 75 3HG1 ILE 75 8.359 -17.858 2.341 612 1HG2 ILE 75 1HG2 ILE 75 9.213 -20.843 -0.653 613 2HG2 ILE 75 2HG2 ILE 75 7.629 -20.781 0.148 614 3HG2 ILE 75 3HG2 ILE 75 8.102 -19.541 -1.027 615 1HD1 ILE 75 1HD1 ILE 75 7.077 -17.704 -0.412 616 2HD1 ILE 75 2HD1 ILE 75 6.994 -16.537 0.908 617 3HD1 ILE 75 3HD1 ILE 75 8.531 -16.793 0.066 618 H GLN 76 H GLN 76 11.858 -20.253 0.954 619 HA GLN 76 HA GLN 76 11.845 -22.806 -0.226 620 1HB GLN 76 HB2 GLN 76 14.019 -20.925 0.718 621 2HB GLN 76 HB3 GLN 76 14.482 -22.523 0.151 622 1HG GLN 76 HG2 GLN 76 12.898 -20.490 -1.493 623 2HG GLN 76 HG3 GLN 76 14.612 -20.886 -1.678 624 1HE2 GLN 76 2HE2 GLN 76 12.943 -21.230 -3.945 625 2HE2 GLN 76 1HE2 GLN 76 12.715 -22.942 -4.174 626 H LYS 77 H LYS 77 13.205 -21.938 2.993 627 HA LYS 77 HA LYS 77 14.093 -24.565 3.603 628 1HB LYS 77 HB2 LYS 77 13.281 -22.211 5.327 629 2HB LYS 77 HB3 LYS 77 13.960 -23.671 6.019 630 1HG LYS 77 HG2 LYS 77 15.320 -21.886 3.974 631 2HG LYS 77 HG3 LYS 77 15.662 -21.957 5.705 632 1HD LYS 77 HD2 LYS 77 17.294 -23.419 5.146 633 2HD LYS 77 HD3 LYS 77 16.000 -24.606 4.970 634 1HE LYS 77 HE2 LYS 77 15.844 -23.827 2.487 635 2HE LYS 77 HE3 LYS 77 17.301 -22.882 2.795 636 1HZ LYS 77 HZ1 LYS 77 18.417 -24.920 3.354 637 2HZ LYS 77 HZ2 LYS 77 17.038 -25.790 3.100 638 3HZ LYS 77 HZ3 LYS 77 17.759 -25.010 1.843 639 H GLU 78 H GLU 78 11.024 -23.050 4.551 640 HA GLU 78 HA GLU 78 9.957 -25.331 5.905 641 1HB GLU 78 HB2 GLU 78 8.621 -22.982 4.506 642 2HB GLU 78 HB3 GLU 78 7.760 -24.159 5.508 643 1HG GLU 78 HG2 GLU 78 10.008 -22.370 6.521 644 2HG GLU 78 HG3 GLU 78 8.284 -22.068 6.730 645 H LEU 79 H LEU 79 9.754 -24.219 2.545 646 HA LEU 79 HA LEU 79 7.747 -26.104 1.773 647 1HB LEU 79 HB2 LEU 79 8.011 -23.836 0.921 648 2HB LEU 79 HB3 LEU 79 9.564 -24.289 0.173 649 HG LEU 79 HG LEU 79 8.489 -25.638 -1.453 650 1HD1 LEU 79 1HD1 LEU 79 6.616 -26.634 -0.192 651 2HD1 LEU 79 2HD1 LEU 79 5.867 -25.031 0.001 652 3HD1 LEU 79 3HD1 LEU 79 6.000 -25.775 -1.606 653 1HD2 LEU 79 1HD2 LEU 79 8.648 -23.202 -1.794 654 2HD2 LEU 79 2HD2 LEU 79 7.164 -23.817 -2.554 655 3HD2 LEU 79 3HD2 LEU 79 7.092 -22.957 -0.992 656 H GLU 80 H GLU 80 11.289 -26.045 1.486 657 HA GLU 80 HA GLU 80 11.931 -27.568 -0.562 658 1HB GLU 80 HB2 GLU 80 13.574 -26.693 0.998 659 2HB GLU 80 HB3 GLU 80 13.103 -27.877 2.223 660 1HG GLU 80 HG2 GLU 80 15.185 -28.533 1.130 661 2HG GLU 80 HG3 GLU 80 13.940 -29.719 0.757 662 H GLU 81 H GLU 81 10.840 -29.074 2.491 663 HA GLU 81 HA GLU 81 11.171 -31.762 1.876 664 1HB GLU 81 HB2 GLU 81 9.130 -32.104 3.387 665 2HB GLU 81 HB3 GLU 81 10.547 -31.305 4.071 666 1HG GLU 81 HG2 GLU 81 9.536 -29.168 4.061 667 2HG GLU 81 HG3 GLU 81 8.247 -29.656 2.953 668 H LYS 82 H LYS 82 8.568 -29.654 0.692 669 HA LYS 82 HA LYS 82 7.376 -31.974 -0.818 670 1HB LYS 82 HB2 LYS 82 6.063 -29.414 0.144 671 2HB LYS 82 HB3 LYS 82 5.287 -30.734 -0.742 672 1HG LYS 82 HG2 LYS 82 6.480 -30.946 2.058 673 2HG LYS 82 HG3 LYS 82 4.770 -30.795 1.661 674 1HD LYS 82 HD2 LYS 82 4.923 -32.940 0.344 675 2HD LYS 82 HD3 LYS 82 6.585 -33.147 0.924 676 1HE LYS 82 HE2 LYS 82 4.126 -32.925 2.718 677 2HE LYS 82 HE3 LYS 82 4.931 -34.433 2.255 678 1HZ LYS 82 HZ1 LYS 82 5.660 -33.701 4.377 679 2HZ LYS 82 HZ2 LYS 82 6.917 -33.633 3.314 680 3HZ LYS 82 HZ3 LYS 82 6.160 -32.247 3.789 681 H ARG 83 H ARG 83 8.752 -28.797 -1.097 682 HA ARG 83 HA ARG 83 7.955 -27.303 -2.867 683 1HB ARG 83 HB2 ARG 83 10.292 -27.326 -2.128 684 2HB ARG 83 HB3 ARG 83 10.687 -28.542 -3.351 685 1HG ARG 83 HG2 ARG 83 10.009 -26.901 -5.135 686 2HG ARG 83 HG3 ARG 83 9.653 -25.711 -3.867 687 1HD ARG 83 HD2 ARG 83 12.033 -25.795 -3.143 688 2HD ARG 83 HD3 ARG 83 12.350 -27.021 -4.396 689 HE ARG 83 HE ARG 83 11.155 -24.577 -5.445 690 1HH1 ARG 83 2HH2 ARG 83 14.242 -26.008 -4.462 691 2HH1 ARG 83 1HH2 ARG 83 15.192 -24.987 -5.505 692 1HH2 ARG 83 1HH1 ARG 83 12.345 -23.204 -6.683 693 2HH2 ARG 83 2HH1 ARG 83 14.088 -23.329 -6.812 694 H ARG 84 H ARG 84 9.468 -30.153 -4.451 695 HA ARG 84 HA ARG 84 8.897 -29.569 -7.079 696 1HB ARG 84 HB2 ARG 84 8.888 -32.250 -5.661 697 2HB ARG 84 HB3 ARG 84 9.035 -32.056 -7.409 698 1HG ARG 84 HG2 ARG 84 11.190 -31.290 -7.332 699 2HG ARG 84 HG3 ARG 84 11.015 -30.466 -5.798 700 1HD ARG 84 HD2 ARG 84 11.226 -33.479 -6.148 701 2HD ARG 84 HD3 ARG 84 12.532 -32.428 -5.606 702 HE ARG 84 HE ARG 84 10.314 -33.454 -4.055 703 1HH1 ARG 84 2HH1 ARG 84 12.608 -30.746 -4.222 704 2HH1 ARG 84 1HH1 ARG 84 12.405 -30.313 -2.539 705 1HH2 ARG 84 2HH2 ARG 84 10.053 -32.849 -1.837 706 2HH2 ARG 84 1HH2 ARG 84 10.914 -31.448 -1.255 707 H SER 85 H SER 85 6.659 -30.876 -4.699 708 HA SER 85 HA SER 85 4.569 -31.807 -6.332 709 1HB SER 85 HB2 SER 85 3.115 -31.346 -4.382 710 2HB SER 85 HB3 SER 85 4.628 -32.154 -3.913 711 HG SER 85 HG SER 85 5.456 -30.169 -3.283 712 H ARG 86 H ARG 86 5.468 -28.439 -5.612 713 HA ARG 86 HA ARG 86 2.963 -27.286 -6.567 714 1HB ARG 86 HB2 ARG 86 5.670 -26.166 -5.801 715 2HB ARG 86 HB3 ARG 86 4.411 -25.170 -6.520 716 1HG ARG 86 HG2 ARG 86 4.426 -24.962 -4.111 717 2HG ARG 86 HG3 ARG 86 2.878 -25.548 -4.735 718 1HD ARG 86 HD2 ARG 86 3.341 -27.797 -3.964 719 2HD ARG 86 HD3 ARG 86 5.002 -27.349 -3.498 720 HE ARG 86 HE ARG 86 3.328 -25.590 -2.135 721 1HH1 ARG 86 1HH1 ARG 86 3.766 -29.116 -2.243 722 2HH1 ARG 86 2HH1 ARG 86 3.269 -29.348 -0.589 723 1HH2 ARG 86 1HH2 ARG 86 2.712 -25.900 0.023 724 2HH2 ARG 86 2HH2 ARG 86 2.683 -27.492 0.727 725 H LEU 87 H LEU 87 3.175 -28.805 -8.508 726 HA LEU 87 HA LEU 87 4.446 -27.330 -10.780 727 1HB LEU 87 HB2 LEU 87 5.503 -29.496 -10.277 728 2HB LEU 87 HB3 LEU 87 3.959 -30.324 -10.434 729 HG LEU 87 HG LEU 87 5.551 -30.528 -12.346 730 1HD1 LEU 87 1HD1 LEU 87 3.952 -30.452 -14.101 731 2HD1 LEU 87 2HD1 LEU 87 3.099 -30.924 -12.623 732 3HD1 LEU 87 3HD1 LEU 87 2.940 -29.273 -13.264 733 1HD2 LEU 87 1HD2 LEU 87 5.891 -28.748 -13.931 734 2HD2 LEU 87 2HD2 LEU 87 4.837 -27.648 -13.030 735 3HD2 LEU 87 3HD2 LEU 87 6.387 -28.172 -12.329 736 1H LYS 88 H1 LYS 88 24.726 -26.420 0.764 737 2H LYS 88 H2 LYS 88 25.099 -26.709 2.346 738 3H LYS 88 H3 LYS 88 24.026 -27.680 1.557 739 HA LYS 88 HA LYS 88 22.447 -25.941 1.339 740 1HB LYS 88 HB2 LYS 88 23.494 -26.207 4.191 741 2HB LYS 88 HB3 LYS 88 21.906 -25.577 3.722 742 1HG LYS 88 HG2 LYS 88 21.370 -27.770 2.648 743 2HG LYS 88 HG3 LYS 88 22.925 -28.410 3.224 744 1HD LYS 88 HD2 LYS 88 22.263 -27.952 5.565 745 2HD LYS 88 HD3 LYS 88 20.708 -27.302 5.007 746 1HE LYS 88 HE2 LYS 88 20.138 -29.509 4.011 747 2HE LYS 88 HE3 LYS 88 21.695 -30.162 4.559 748 1HZ LYS 88 HZ1 LYS 88 19.569 -29.122 6.298 749 2HZ LYS 88 HZ2 LYS 88 19.928 -30.710 6.047 750 3HZ LYS 88 HZ3 LYS 88 21.014 -29.731 6.804 751 H GLU 89 H GLU 89 25.339 -24.869 3.119 752 HA GLU 89 HA GLU 89 24.649 -22.282 3.666 753 1HB GLU 89 HB2 GLU 89 27.463 -23.127 2.825 754 2HB GLU 89 HB3 GLU 89 26.987 -21.784 3.870 755 1HG GLU 89 HG2 GLU 89 27.432 -23.274 5.531 756 2HG GLU 89 HG3 GLU 89 25.767 -23.785 5.221 757 H LYS 90 H LYS 90 26.235 -23.364 0.680 758 HA LYS 90 HA LYS 90 26.310 -20.809 -0.600 759 1HB LYS 90 HB2 LYS 90 26.264 -23.632 -1.750 760 2HB LYS 90 HB3 LYS 90 26.494 -22.159 -2.706 761 1HG LYS 90 HG2 LYS 90 28.472 -21.560 -1.314 762 2HG LYS 90 HG3 LYS 90 28.316 -23.100 -0.445 763 1HD LYS 90 HD2 LYS 90 28.609 -24.333 -2.583 764 2HD LYS 90 HD3 LYS 90 28.709 -22.794 -3.462 765 1HE LYS 90 HE2 LYS 90 30.738 -22.174 -2.162 766 2HE LYS 90 HE3 LYS 90 30.653 -23.717 -1.290 767 1HZ LYS 90 HZ1 LYS 90 30.942 -24.835 -3.382 768 2HZ LYS 90 HZ2 LYS 90 31.018 -23.398 -4.187 769 3HZ LYS 90 HZ3 LYS 90 32.190 -23.796 -3.100 770 H ARG 91 H ARG 91 23.725 -23.204 -0.287 771 HA ARG 91 HA ARG 91 22.083 -22.065 -2.432 772 1HB ARG 91 HB2 ARG 91 21.748 -24.350 -1.907 773 2HB ARG 91 HB3 ARG 91 21.445 -24.046 -0.204 774 1HG ARG 91 HG2 ARG 91 19.616 -22.689 -2.179 775 2HG ARG 91 HG3 ARG 91 19.521 -24.438 -2.019 776 1HD ARG 91 HD2 ARG 91 19.271 -24.120 0.510 777 2HD ARG 91 HD3 ARG 91 19.047 -22.403 0.217 778 HE ARG 91 HE ARG 91 16.944 -22.807 -0.659 779 1HH1 ARG 91 1HH1 ARG 91 18.669 -25.908 -0.406 780 2HH1 ARG 91 2HH1 ARG 91 17.224 -26.850 -0.724 781 1HH2 ARG 91 1HH2 ARG 91 15.055 -24.170 -1.212 782 2HH2 ARG 91 2HH2 ARG 91 15.282 -25.890 -1.134 783 H ILE 92 H ILE 92 22.140 -21.956 1.142 784 HA ILE 92 HA ILE 92 20.114 -20.030 1.542 785 HB ILE 92 HB ILE 92 22.551 -20.953 3.076 786 1HG1 ILE 92 2HG1 ILE 92 20.724 -21.229 4.847 787 2HG1 ILE 92 3HG1 ILE 92 19.556 -20.794 3.591 788 1HG2 ILE 92 1HG2 ILE 92 22.745 -18.601 3.532 789 2HG2 ILE 92 2HG2 ILE 92 20.996 -18.453 3.771 790 3HG2 ILE 92 3HG2 ILE 92 22.005 -19.364 4.923 791 1HD1 ILE 92 1HD1 ILE 92 19.728 -23.215 3.913 792 2HD1 ILE 92 2HD1 ILE 92 20.269 -22.783 2.284 793 3HD1 ILE 92 3HD1 ILE 92 21.460 -23.161 3.558 794 H LYS 93 H LYS 93 23.652 -19.458 1.084 795 HA LYS 93 HA LYS 93 23.286 -16.654 1.248 796 1HB LYS 93 HB2 LYS 93 25.549 -18.338 0.146 797 2HB LYS 93 HB3 LYS 93 25.653 -16.575 0.224 798 1HG LYS 93 HG2 LYS 93 24.898 -18.105 2.727 799 2HG LYS 93 HG3 LYS 93 26.569 -18.109 2.180 800 1HD LYS 93 HD2 LYS 93 26.252 -16.374 3.834 801 2HD LYS 93 HD3 LYS 93 26.705 -15.672 2.277 802 1HE LYS 93 HE2 LYS 93 24.417 -14.910 1.887 803 2HE LYS 93 HE3 LYS 93 23.832 -15.787 3.328 804 1HZ LYS 93 HZ1 LYS 93 24.112 -13.484 3.721 805 2HZ LYS 93 HZ2 LYS 93 25.179 -14.334 4.649 806 3HZ LYS 93 HZ3 LYS 93 25.708 -13.534 3.305 807 H GLU 94 H GLU 94 23.585 -18.740 -1.665 808 HA GLU 94 HA GLU 94 23.394 -16.649 -3.582 809 1HB GLU 94 HB2 GLU 94 22.495 -19.553 -3.621 810 2HB GLU 94 HB3 GLU 94 22.432 -18.499 -5.041 811 1HG GLU 94 HG2 GLU 94 24.807 -18.198 -5.088 812 2HG GLU 94 HG3 GLU 94 25.022 -18.906 -3.486 813 H LEU 95 H LEU 95 20.836 -18.589 -1.978 814 HA LEU 95 HA LEU 95 18.608 -17.475 -3.260 815 1HB LEU 95 HB2 LEU 95 18.633 -19.510 -1.868 816 2HB LEU 95 HB3 LEU 95 18.938 -18.538 -0.422 817 HG LEU 95 HG LEU 95 16.699 -17.463 -0.704 818 1HD1 LEU 95 1HD1 LEU 95 16.324 -17.720 -3.121 819 2HD1 LEU 95 2HD1 LEU 95 16.509 -19.484 -3.008 820 3HD1 LEU 95 3HD1 LEU 95 15.103 -18.691 -2.292 821 1HD2 LEU 95 1HD2 LEU 95 15.471 -19.444 0.001 822 2HD2 LEU 95 2HD2 LEU 95 16.765 -20.509 -0.599 823 3HD2 LEU 95 3HD2 LEU 95 17.074 -19.408 0.758 824 H GLU 96 H GLU 96 20.162 -16.483 -0.167 825 HA GLU 96 HA GLU 96 18.471 -14.262 0.371 826 1HB GLU 96 HB2 GLU 96 19.934 -15.359 1.986 827 2HB GLU 96 HB3 GLU 96 21.370 -14.796 1.133 828 1HG GLU 96 HG2 GLU 96 20.723 -12.435 1.629 829 2HG GLU 96 HG3 GLU 96 19.287 -13.027 2.488 830 H LEU 97 H LEU 97 21.669 -14.425 -1.207 831 HA LEU 97 HA LEU 97 22.061 -11.719 -1.740 832 1HB LEU 97 HB2 LEU 97 23.774 -13.436 -1.764 833 2HB LEU 97 HB3 LEU 97 23.080 -14.193 -3.196 834 HG LEU 97 HG LEU 97 25.183 -12.833 -3.447 835 1HD1 LEU 97 1HD1 LEU 97 23.815 -13.512 -5.375 836 2HD1 LEU 97 2HD1 LEU 97 22.939 -11.972 -5.305 837 3HD1 LEU 97 3HD1 LEU 97 24.675 -11.985 -5.626 838 1HD2 LEU 97 1HD2 LEU 97 25.096 -10.434 -3.637 839 2HD2 LEU 97 2HD2 LEU 97 23.364 -10.400 -3.275 840 3HD2 LEU 97 3HD2 LEU 97 24.525 -10.909 -2.028 841 H LEU 98 H LEU 98 20.507 -14.225 -3.778 842 HA LEU 98 HA LEU 98 20.176 -12.911 -6.151 843 1HB LEU 98 HB2 LEU 98 19.466 -15.205 -5.785 844 2HB LEU 98 HB3 LEU 98 18.207 -14.684 -4.661 845 HG LEU 98 HG LEU 98 16.981 -13.571 -6.486 846 1HD1 LEU 98 1HD1 LEU 98 18.810 -12.967 -8.018 847 2HD1 LEU 98 2HD1 LEU 98 19.206 -14.683 -8.262 848 3HD1 LEU 98 3HD1 LEU 98 17.667 -14.025 -8.853 849 1HD2 LEU 98 1HD2 LEU 98 16.530 -15.927 -5.897 850 2HD2 LEU 98 2HD2 LEU 98 16.248 -15.615 -7.619 851 3HD2 LEU 98 3HD2 LEU 98 17.724 -16.459 -7.100 852 H LEU 99 H LEU 99 17.951 -12.612 -3.315 853 HA LEU 99 HA LEU 99 16.312 -10.687 -4.676 854 1HB LEU 99 HB2 LEU 99 15.690 -12.218 -2.755 855 2HB LEU 99 HB3 LEU 99 16.475 -11.087 -1.662 856 HG LEU 99 HG LEU 99 14.052 -10.827 -1.739 857 1HD1 LEU 99 1HD1 LEU 99 13.846 -8.483 -1.928 858 2HD1 LEU 99 2HD1 LEU 99 15.483 -8.810 -1.324 859 3HD1 LEU 99 3HD1 LEU 99 15.219 -8.355 -3.031 860 1HD2 LEU 99 1HD2 LEU 99 14.247 -9.862 -4.623 861 2HD2 LEU 99 2HD2 LEU 99 13.775 -11.512 -4.185 862 3HD2 LEU 99 3HD2 LEU 99 12.795 -10.132 -3.651 863 H MET 100 H MET 100 18.820 -10.358 -2.125 864 HA MET 100 HA MET 100 18.867 -7.584 -1.810 865 1HB MET 100 HB2 MET 100 21.205 -9.527 -1.876 866 2HB MET 100 HB3 MET 100 21.309 -7.857 -1.314 867 1HG MET 100 HG2 MET 100 19.486 -9.959 -0.075 868 2HG MET 100 HG3 MET 100 21.079 -9.490 0.520 869 1HE MET 100 HE1 MET 100 20.209 -9.062 2.899 870 2HE MET 100 HE2 MET 100 18.825 -8.019 3.287 871 3HE MET 100 HE3 MET 100 18.566 -9.543 2.403 872 H SER 101 H SER 101 20.400 -9.467 -4.409 873 HA SER 101 HA SER 101 21.811 -7.269 -5.518 874 1HB SER 101 HB2 SER 101 22.403 -8.734 -7.290 875 2HB SER 101 HB3 SER 101 22.376 -9.686 -5.800 876 HG SER 101 HG SER 101 20.155 -10.294 -6.487 877 H THR 102 H THR 102 18.406 -7.816 -5.717 878 HA THR 102 HA THR 102 17.859 -7.375 -8.377 879 HB THR 102 HB THR 102 16.212 -6.181 -6.115 880 HG1 THR 102 HG1 THR 102 16.467 -8.322 -5.682 881 1HG2 THR 102 1HG2 THR 102 14.330 -6.654 -7.686 882 2HG2 THR 102 2HG2 THR 102 15.465 -5.500 -8.399 883 3HG2 THR 102 3HG2 THR 102 15.492 -7.209 -8.895 884 H GLU 103 H GLU 103 18.399 -4.743 -5.965 885 HA GLU 103 HA GLU 103 18.052 -2.612 -7.773 886 1HB GLU 103 HB2 GLU 103 19.478 -1.308 -6.217 887 2HB GLU 103 HB3 GLU 103 18.152 -2.210 -5.480 888 1HG GLU 103 HG2 GLU 103 19.762 -3.961 -4.697 889 2HG GLU 103 HG3 GLU 103 21.089 -3.009 -5.385 890 H ASN 104 H ASN 104 20.948 -4.576 -7.184 891 HA ASN 104 HA ASN 104 22.764 -2.996 -8.799 892 1HB ASN 104 HB2 ASN 104 23.595 -4.465 -7.047 893 2HB ASN 104 HB3 ASN 104 22.885 -5.875 -7.838 894 1HD2 ASN 104 2HD2 ASN 104 25.266 -3.208 -8.464 895 2HD2 ASN 104 1HD2 ASN 104 26.299 -4.229 -9.455 896 H GLU 105 H GLU 105 20.720 -5.847 -9.399 897 HA GLU 105 HA GLU 105 21.398 -6.194 -12.164 898 1HB GLU 105 HB2 GLU 105 20.237 -7.828 -10.652 899 2HB GLU 105 HB3 GLU 105 18.782 -6.835 -10.733 900 1HG GLU 105 HG2 GLU 105 18.676 -7.192 -13.190 901 2HG GLU 105 HG3 GLU 105 20.165 -8.144 -13.119 902 H LEU 106 H LEU 106 18.853 -4.330 -10.531 903 HA LEU 106 HA LEU 106 17.416 -3.449 -12.745 904 1HB LEU 106 HB2 LEU 106 16.785 -3.316 -10.280 905 2HB LEU 106 HB3 LEU 106 17.866 -1.928 -10.152 906 HG LEU 106 HG LEU 106 16.382 -0.907 -12.070 907 1HD1 LEU 106 1HD1 LEU 106 14.051 -1.700 -12.020 908 2HD1 LEU 106 2HD1 LEU 106 15.104 -3.039 -12.508 909 3HD1 LEU 106 3HD1 LEU 106 14.471 -2.963 -10.849 910 1HD2 LEU 106 1HD2 LEU 106 16.494 -0.016 -9.795 911 2HD2 LEU 106 2HD2 LEU 106 14.798 -0.073 -10.314 912 3HD2 LEU 106 3HD2 LEU 106 15.431 -1.304 -9.200 913 H LYS 107 H LYS 107 20.067 -1.705 -10.986 914 HA LYS 107 HA LYS 107 19.949 0.441 -12.945 915 1HB LYS 107 HB2 LYS 107 21.605 1.569 -11.674 916 2HB LYS 107 HB3 LYS 107 20.325 0.929 -10.642 917 1HG LYS 107 HG2 LYS 107 21.854 -0.947 -9.980 918 2HG LYS 107 HG3 LYS 107 23.142 -0.224 -10.935 919 1HD LYS 107 HD2 LYS 107 23.182 1.765 -9.606 920 2HD LYS 107 HD3 LYS 107 21.678 1.356 -8.771 921 1HE LYS 107 HE2 LYS 107 24.192 -0.353 -8.554 922 2HE LYS 107 HE3 LYS 107 23.824 0.979 -7.446 923 1HZ LYS 107 HZ1 LYS 107 22.055 -1.314 -7.893 924 2HZ LYS 107 HZ2 LYS 107 23.080 -1.138 -6.611 925 3HZ LYS 107 HZ3 LYS 107 21.827 -0.090 -6.820 926 H GLY 108 H GLY 108 20.399 -1.750 -14.450 927 1HA GLY 108 HA2 GLY 108 21.506 -2.145 -16.384 928 2HA GLY 108 HA3 GLY 108 22.521 -0.744 -16.051 929 H GLN 109 H GLN 109 23.944 -1.484 -13.869 930 HA GLN 109 HA GLN 109 26.204 -2.323 -14.758 931 1HB GLN 109 HB2 GLN 109 25.679 -1.576 -12.468 932 2HB GLN 109 HB3 GLN 109 25.251 -3.227 -12.008 933 1HG GLN 109 HG2 GLN 109 27.979 -2.680 -13.252 934 2HG GLN 109 HG3 GLN 109 27.666 -2.160 -11.600 935 1HE2 GLN 109 2HE2 GLN 109 27.819 -5.095 -13.679 936 2HE2 GLN 109 1HE2 GLN 109 28.091 -6.169 -12.313 937 H GLN 110 H GLN 110 23.917 -4.902 -13.663 938 HA GLN 110 HA GLN 110 25.856 -6.987 -14.011 939 1HB GLN 110 HB2 GLN 110 22.818 -7.109 -13.943 940 2HB GLN 110 HB3 GLN 110 23.898 -8.514 -13.956 941 1HG GLN 110 HG2 GLN 110 25.016 -7.656 -11.884 942 2HG GLN 110 HG3 GLN 110 23.814 -6.356 -11.814 943 1HE2 GLN 110 2HE2 GLN 110 23.713 -7.622 -9.610 944 2HE2 GLN 110 1HE2 GLN 110 22.452 -8.869 -9.541 945 H ALA 111 H ALA 111 23.891 -5.325 -16.394 946 HA ALA 111 HA ALA 111 23.830 -7.521 -18.300 947 1HB ALA 111 HB1 ALA 111 22.824 -5.863 -19.786 948 2HB ALA 111 HB2 ALA 111 22.060 -5.814 -18.185 949 3HB ALA 111 HB3 ALA 111 23.229 -4.559 -18.651 950 H LEU 112 H LEU 112 26.315 -7.726 -17.848 951 HA LEU 112 HA LEU 112 27.646 -6.754 -20.272 952 1HB LEU 112 HB2 LEU 112 28.142 -4.964 -18.652 953 2HB LEU 112 HB3 LEU 112 28.669 -6.159 -17.461 954 HG LEU 112 HG LEU 112 30.583 -6.788 -18.905 955 1HD1 LEU 112 1HD1 LEU 112 29.700 -6.316 -21.149 956 2HD1 LEU 112 2HD1 LEU 112 29.533 -4.591 -20.751 957 3HD1 LEU 112 3HD1 LEU 112 31.141 -5.337 -20.869 958 1HD2 LEU 112 1HD2 LEU 112 31.855 -4.707 -18.621 959 2HD2 LEU 112 2HD2 LEU 112 30.346 -3.791 -18.422 960 3HD2 LEU 112 3HD2 LEU 112 30.818 -5.007 -17.215 Start of MODEL 19 1 1H GLY 1 H1 GLY 1 10.075 8.525 -2.457 2 2H GLY 1 H2 GLY 1 9.559 6.971 -2.376 3 3H GLY 1 H3 GLY 1 10.986 7.329 -3.133 4 1HA GLY 1 HA2 GLY 1 9.796 8.608 -4.803 5 2HA GLY 1 HA3 GLY 1 9.245 6.927 -4.767 6 H VAL 2 H VAL 2 7.034 6.898 -5.011 7 HA VAL 2 HA VAL 2 5.451 9.250 -4.239 8 HB VAL 2 HB VAL 2 4.672 6.656 -5.600 9 1HG1 VAL 2 1HG1 VAL 2 2.661 7.931 -6.324 10 2HG1 VAL 2 2HG1 VAL 2 2.702 7.715 -4.571 11 3HG1 VAL 2 3HG1 VAL 2 3.152 9.281 -5.281 12 1HG2 VAL 2 1HG2 VAL 2 6.281 7.964 -6.952 13 2HG2 VAL 2 2HG2 VAL 2 4.665 8.061 -7.659 14 3HG2 VAL 2 3HG2 VAL 2 5.302 9.425 -6.720 15 H ARG 3 H ARG 3 5.198 5.767 -3.605 16 HA ARG 3 HA ARG 3 3.094 6.118 -1.654 17 1HB ARG 3 HB2 ARG 3 4.810 3.632 -2.122 18 2HB ARG 3 HB3 ARG 3 3.194 3.716 -1.400 19 1HG ARG 3 HG2 ARG 3 2.346 4.623 -3.571 20 2HG ARG 3 HG3 ARG 3 3.938 4.372 -4.290 21 1HD ARG 3 HD2 ARG 3 3.770 1.947 -3.491 22 2HD ARG 3 HD3 ARG 3 2.036 2.240 -3.293 23 HE ARG 3 HE ARG 3 2.237 3.125 -5.746 24 1HH1 ARG 3 1HH2 ARG 3 3.763 0.195 -4.449 25 2HH1 ARG 3 2HH2 ARG 3 3.988 -0.531 -6.008 26 1HH2 ARG 3 1HH1 ARG 3 2.570 2.210 -7.770 27 2HH2 ARG 3 2HH1 ARG 3 3.399 0.691 -7.963 28 H LYS 4 H LYS 4 6.464 5.254 -1.531 29 HA LYS 4 HA LYS 4 6.740 5.773 1.396 30 1HB LYS 4 HB2 LYS 4 7.770 3.353 -0.115 31 2HB LYS 4 HB3 LYS 4 8.069 3.738 1.585 32 1HG LYS 4 HG2 LYS 4 5.310 3.103 0.427 33 2HG LYS 4 HG3 LYS 4 6.381 1.945 1.210 34 1HD LYS 4 HD2 LYS 4 6.388 3.397 3.275 35 2HD LYS 4 HD3 LYS 4 5.222 4.465 2.494 36 1HE LYS 4 HE2 LYS 4 4.084 2.915 3.998 37 2HE LYS 4 HE3 LYS 4 3.598 2.625 2.324 38 1HZ LYS 4 HZ1 LYS 4 4.933 0.706 2.264 39 2HZ LYS 4 HZ2 LYS 4 5.699 1.068 3.675 40 3HZ LYS 4 HZ3 LYS 4 4.101 0.658 3.681 41 H GLY 5 H GLY 5 8.992 6.322 1.919 42 1HA GLY 5 HA2 GLY 5 10.461 7.845 0.103 43 2HA GLY 5 HA3 GLY 5 11.147 7.030 1.519 44 H TRP 6 H TRP 6 10.650 4.365 0.729 45 HA TRP 6 HA TRP 6 12.924 3.939 -1.034 46 1HB TRP 6 HB2 TRP 6 12.687 1.631 -0.433 47 2HB TRP 6 HB3 TRP 6 12.651 2.653 0.997 48 HD1 TRP 6 HD1 TRP 6 10.340 2.781 2.360 49 HE1 TRP 6 HE1 TRP 6 8.332 1.173 2.511 50 HE3 TRP 6 HE3 TRP 6 11.233 -0.067 -1.811 51 HZ2 TRP 6 HZ2 TRP 6 7.171 -0.887 0.935 52 HZ3 TRP 6 HZ3 TRP 6 9.643 -1.891 -2.414 53 HH2 TRP 6 HH2 TRP 6 7.608 -2.264 -1.102 54 H HIS 7 H HIS 7 9.610 4.409 -1.726 55 HA HIS 7 HA HIS 7 8.905 2.341 -3.409 56 1HB HIS 7 HB2 HIS 7 7.265 3.934 -2.807 57 2HB HIS 7 HB3 HIS 7 8.219 5.283 -3.442 58 HD2 HIS 7 HD2 HIS 7 5.955 2.428 -4.763 59 HE1 HIS 7 HE1 HIS 7 6.257 5.421 -7.757 60 HE2 HIS 7 HE2 HIS 7 5.121 3.230 -7.088 61 H GLU 8 H GLU 8 10.785 5.249 -4.259 62 HA GLU 8 HA GLU 8 11.048 5.085 -6.929 63 1HB GLU 8 HB2 GLU 8 12.050 6.688 -5.084 64 2HB GLU 8 HB3 GLU 8 13.456 5.610 -5.161 65 1HG GLU 8 HG2 GLU 8 13.529 6.039 -7.639 66 2HG GLU 8 HG3 GLU 8 12.121 7.107 -7.429 67 H HIS 9 H HIS 9 12.577 2.881 -4.606 68 HA HIS 9 HA HIS 9 14.585 1.857 -6.443 69 1HB HIS 9 HB2 HIS 9 13.440 0.805 -3.812 70 2HB HIS 9 HB3 HIS 9 14.718 0.039 -4.740 71 HD2 HIS 9 HD2 HIS 9 14.388 3.794 -3.592 72 HE1 HIS 9 HE1 HIS 9 18.015 2.196 -2.057 73 HE2 HIS 9 HE2 HIS 9 16.567 4.286 -2.242 74 H VAL 10 H VAL 10 11.615 0.510 -5.017 75 HA VAL 10 HA VAL 10 11.812 -1.803 -6.815 76 HB VAL 10 HB VAL 10 9.865 -1.296 -4.571 77 1HG1 VAL 10 1HG1 VAL 10 9.337 -3.593 -4.740 78 2HG1 VAL 10 2HG1 VAL 10 9.382 -3.095 -6.433 79 3HG1 VAL 10 3HG1 VAL 10 10.764 -3.950 -5.731 80 1HG2 VAL 10 1HG2 VAL 10 12.128 -1.330 -3.632 81 2HG2 VAL 10 2HG2 VAL 10 11.430 -2.931 -3.351 82 3HG2 VAL 10 3HG2 VAL 10 12.590 -2.695 -4.662 83 H THR 11 H THR 11 11.415 -0.831 -8.738 84 HA THR 11 HA THR 11 8.974 0.539 -9.405 85 HB THR 11 HB THR 11 9.770 0.094 -11.771 86 HG1 THR 11 HG1 THR 11 12.157 -0.873 -10.668 87 1HG2 THR 11 1HG2 THR 11 10.437 2.110 -10.549 88 2HG2 THR 11 2HG2 THR 11 11.838 1.267 -9.857 89 3HG2 THR 11 3HG2 THR 11 11.739 1.539 -11.611 90 H GLN 12 H GLN 12 7.449 -0.195 -11.006 91 HA GLN 12 HA GLN 12 5.926 -2.368 -10.275 92 1HB GLN 12 HB2 GLN 12 6.193 -0.928 -12.933 93 2HB GLN 12 HB3 GLN 12 4.945 -2.123 -12.615 94 1HG GLN 12 HG2 GLN 12 5.351 0.482 -11.065 95 2HG GLN 12 HG3 GLN 12 4.099 0.178 -12.271 96 1HE2 GLN 12 2HE2 GLN 12 2.948 -2.177 -11.693 97 2HE2 GLN 12 1HE2 GLN 12 2.362 -2.226 -10.046 98 H ASP 13 H ASP 13 8.471 -2.360 -12.777 99 HA ASP 13 HA ASP 13 7.970 -5.004 -13.733 100 1HB ASP 13 HB2 ASP 13 9.377 -3.348 -14.918 101 2HB ASP 13 HB3 ASP 13 10.566 -3.390 -13.604 102 H LEU 14 H LEU 14 10.044 -3.823 -11.030 103 HA LEU 14 HA LEU 14 11.051 -6.472 -10.445 104 1HB LEU 14 HB2 LEU 14 12.332 -4.548 -9.778 105 2HB LEU 14 HB3 LEU 14 10.999 -3.918 -8.811 106 HG LEU 14 HG LEU 14 11.197 -5.650 -7.198 107 1HD1 LEU 14 1HD1 LEU 14 12.797 -7.461 -7.220 108 2HD1 LEU 14 2HD1 LEU 14 11.768 -7.630 -8.629 109 3HD1 LEU 14 3HD1 LEU 14 13.413 -6.987 -8.807 110 1HD2 LEU 14 1HD2 LEU 14 12.828 -3.733 -7.140 111 2HD2 LEU 14 2HD2 LEU 14 13.434 -5.179 -6.332 112 3HD2 LEU 14 3HD2 LEU 14 14.016 -4.758 -7.955 113 H ARG 15 H ARG 15 8.386 -4.409 -9.143 114 HA ARG 15 HA ARG 15 7.363 -6.222 -7.231 115 1HB ARG 15 HB2 ARG 15 5.747 -4.454 -9.109 116 2HB ARG 15 HB3 ARG 15 5.149 -5.262 -7.665 117 1HG ARG 15 HG2 ARG 15 6.739 -3.956 -6.262 118 2HG ARG 15 HG3 ARG 15 7.318 -3.117 -7.705 119 1HD ARG 15 HD2 ARG 15 5.679 -1.694 -6.678 120 2HD ARG 15 HD3 ARG 15 4.998 -2.352 -8.171 121 HE ARG 15 HE ARG 15 4.437 -3.877 -5.724 122 1HH1 ARG 15 1HH2 ARG 15 3.160 -1.391 -7.950 123 2HH1 ARG 15 2HH2 ARG 15 1.514 -1.648 -7.437 124 1HH2 ARG 15 1HH1 ARG 15 2.287 -4.421 -5.393 125 2HH2 ARG 15 2HH1 ARG 15 1.000 -3.378 -5.941 126 H SER 16 H SER 16 6.740 -6.090 -10.746 127 HA SER 16 HA SER 16 4.936 -8.252 -10.937 128 1HB SER 16 HB2 SER 16 6.924 -7.235 -12.998 129 2HB SER 16 HB3 SER 16 5.558 -8.280 -13.330 130 HG SER 16 HG SER 16 5.453 -5.653 -12.252 131 H HIS 17 H HIS 17 8.542 -8.250 -11.314 132 HA HIS 17 HA HIS 17 8.693 -11.066 -11.743 133 1HB HIS 17 HB2 HIS 17 10.451 -9.358 -12.255 134 2HB HIS 17 HB3 HIS 17 10.806 -9.238 -10.530 135 HD2 HIS 17 HD2 HIS 17 10.230 -12.859 -11.556 136 HE1 HIS 17 HE1 HIS 17 14.406 -12.226 -12.017 137 HE2 HIS 17 HE2 HIS 17 12.545 -13.971 -11.969 138 H LEU 18 H LEU 18 8.741 -9.111 -8.721 139 HA LEU 18 HA LEU 18 9.309 -11.325 -6.976 140 1HB LEU 18 HB2 LEU 18 8.005 -8.623 -6.563 141 2HB LEU 18 HB3 LEU 18 8.271 -9.759 -5.227 142 HG LEU 18 HG LEU 18 10.482 -8.724 -7.061 143 1HD1 LEU 18 1HD1 LEU 18 9.607 -7.757 -4.318 144 2HD1 LEU 18 2HD1 LEU 18 11.054 -7.203 -5.191 145 3HD1 LEU 18 3HD1 LEU 18 9.441 -6.851 -5.843 146 1HD2 LEU 18 1HD2 LEU 18 11.107 -10.798 -5.862 147 2HD2 LEU 18 2HD2 LEU 18 11.971 -9.399 -5.225 148 3HD2 LEU 18 3HD2 LEU 18 10.584 -10.063 -4.330 149 H VAL 19 H VAL 19 6.177 -9.863 -7.974 150 HA VAL 19 HA VAL 19 4.451 -11.736 -6.749 151 HB VAL 19 HB VAL 19 4.276 -10.105 -9.290 152 1HG1 VAL 19 1HG1 VAL 19 2.819 -12.101 -9.655 153 2HG1 VAL 19 2HG1 VAL 19 2.007 -11.738 -8.112 154 3HG1 VAL 19 3HG1 VAL 19 1.917 -10.599 -9.462 155 1HG2 VAL 19 1HG2 VAL 19 2.651 -8.813 -7.966 156 2HG2 VAL 19 2HG2 VAL 19 2.826 -9.939 -6.598 157 3HG2 VAL 19 3HG2 VAL 19 4.185 -8.921 -7.108 158 H HIS 20 H HIS 20 6.085 -11.926 -9.964 159 HA HIS 20 HA HIS 20 5.192 -14.493 -10.668 160 1HB HIS 20 HB2 HIS 20 6.344 -13.126 -12.248 161 2HB HIS 20 HB3 HIS 20 7.798 -13.086 -11.271 162 HD2 HIS 20 HD2 HIS 20 6.290 -14.952 -14.032 163 HE1 HIS 20 HE1 HIS 20 9.629 -17.284 -12.794 164 HE2 HIS 20 HE2 HIS 20 7.869 -16.986 -14.614 165 H LYS 21 H LYS 21 8.089 -13.638 -8.664 166 HA LYS 21 HA LYS 21 8.859 -16.315 -8.108 167 1HB LYS 21 HB2 LYS 21 9.157 -13.868 -6.326 168 2HB LYS 21 HB3 LYS 21 9.861 -15.444 -6.017 169 1HG LYS 21 HG2 LYS 21 10.535 -13.675 -8.397 170 2HG LYS 21 HG3 LYS 21 11.450 -13.901 -6.915 171 1HD LYS 21 HD2 LYS 21 11.561 -16.406 -7.458 172 2HD LYS 21 HD3 LYS 21 10.894 -15.998 -9.051 173 1HE LYS 21 HE2 LYS 21 13.314 -16.176 -9.197 174 2HE LYS 21 HE3 LYS 21 12.835 -14.491 -9.466 175 1HZ LYS 21 HZ1 LYS 21 13.489 -13.981 -7.254 176 2HZ LYS 21 HZ2 LYS 21 13.804 -15.559 -6.902 177 3HZ LYS 21 HZ3 LYS 21 14.735 -14.760 -7.991 178 H LEU 22 H LEU 22 6.512 -14.212 -6.340 179 HA LEU 22 HA LEU 22 5.863 -16.118 -4.323 180 1HB LEU 22 HB2 LEU 22 3.957 -14.192 -5.693 181 2HB LEU 22 HB3 LEU 22 3.654 -15.056 -4.198 182 HG LEU 22 HG LEU 22 5.759 -12.898 -4.595 183 1HD1 LEU 22 1HD1 LEU 22 3.113 -12.991 -3.119 184 2HD1 LEU 22 2HD1 LEU 22 4.257 -11.633 -3.059 185 3HD1 LEU 22 3HD1 LEU 22 3.452 -12.051 -4.585 186 1HD2 LEU 22 1HD2 LEU 22 5.987 -13.071 -2.098 187 2HD2 LEU 22 2HD2 LEU 22 4.910 -14.483 -2.112 188 3HD2 LEU 22 3HD2 LEU 22 6.490 -14.547 -2.916 189 H VAL 23 H VAL 23 4.378 -15.657 -7.566 190 HA VAL 23 HA VAL 23 2.623 -17.864 -7.408 191 HB VAL 23 HB VAL 23 3.997 -16.777 -9.881 192 1HG1 VAL 23 1HG1 VAL 23 2.151 -17.881 -11.107 193 2HG1 VAL 23 2HG1 VAL 23 3.119 -19.082 -10.251 194 3HG1 VAL 23 3HG1 VAL 23 1.555 -18.590 -9.591 195 1HG2 VAL 23 1HG2 VAL 23 1.211 -16.258 -8.748 196 2HG2 VAL 23 2HG2 VAL 23 2.555 -15.106 -8.690 197 3HG2 VAL 23 3HG2 VAL 23 1.886 -15.590 -10.249 198 H GLN 24 H GLN 24 6.061 -17.816 -8.591 199 HA GLN 24 HA GLN 24 6.116 -20.575 -9.218 200 1HB GLN 24 HB2 GLN 24 8.477 -18.898 -8.239 201 2HB GLN 24 HB3 GLN 24 8.543 -20.449 -9.071 202 1HG GLN 24 HG2 GLN 24 8.086 -17.731 -10.207 203 2HG GLN 24 HG3 GLN 24 9.002 -19.090 -10.823 204 1HE2 GLN 24 2HE2 GLN 24 5.951 -17.440 -10.835 205 2HE2 GLN 24 1HE2 GLN 24 5.113 -18.563 -11.940 206 H ALA 25 H ALA 25 6.983 -18.951 -6.172 207 HA ALA 25 HA ALA 25 7.964 -21.213 -4.805 208 1HB ALA 25 HB1 ALA 25 7.624 -19.892 -2.784 209 2HB ALA 25 HB2 ALA 25 8.321 -18.891 -4.074 210 3HB ALA 25 HB3 ALA 25 6.595 -18.741 -3.667 211 H ILE 26 H ILE 26 4.634 -19.945 -5.115 212 HA ILE 26 HA ILE 26 3.488 -21.984 -3.372 213 HB ILE 26 HB ILE 26 2.245 -20.013 -5.337 214 1HG1 ILE 26 2HG1 ILE 26 2.420 -19.838 -2.318 215 2HG1 ILE 26 3HG1 ILE 26 3.601 -19.051 -3.355 216 1HG2 ILE 26 1HG2 ILE 26 0.149 -20.430 -3.977 217 2HG2 ILE 26 2HG2 ILE 26 0.672 -21.845 -4.873 218 3HG2 ILE 26 3HG2 ILE 26 1.004 -21.729 -3.133 219 1HD1 ILE 26 1HD1 ILE 26 2.020 -17.399 -2.746 220 2HD1 ILE 26 2HD1 ILE 26 1.768 -17.763 -4.462 221 3HD1 ILE 26 3HD1 ILE 26 0.642 -18.394 -3.233 222 H PHE 27 H PHE 27 3.848 -21.478 -6.861 223 HA PHE 27 HA PHE 27 2.931 -24.191 -7.564 224 1HB PHE 27 HB2 PHE 27 1.003 -22.605 -7.209 225 2HB PHE 27 HB3 PHE 27 1.596 -21.644 -8.543 226 HD1 PHE 27 HD1 PHE 27 1.936 -23.104 -10.862 227 HD2 PHE 27 HD2 PHE 27 -0.780 -23.969 -7.608 228 HE1 PHE 27 HE1 PHE 27 0.324 -24.034 -12.447 229 HE2 PHE 27 HE2 PHE 27 -2.409 -24.867 -9.222 230 HZ PHE 27 HZ PHE 27 -1.858 -24.944 -11.650 231 HA PRO 28 HA PRO 28 6.359 -22.561 -10.301 232 1HB PRO 28 HB2 PRO 28 7.109 -24.965 -11.404 233 2HB PRO 28 HB3 PRO 28 7.686 -24.344 -9.828 234 1HG PRO 28 HG2 PRO 28 5.427 -26.291 -10.339 235 2HG PRO 28 HG3 PRO 28 6.761 -26.445 -9.159 236 1HD PRO 28 HD2 PRO 28 4.323 -25.570 -8.429 237 2HD PRO 28 HD3 PRO 28 5.771 -24.783 -7.731 238 H THR 29 H THR 29 5.596 -21.518 -12.104 239 HA THR 29 HA THR 29 3.121 -22.330 -13.210 240 HB THR 29 HB THR 29 4.982 -20.245 -14.318 241 HG1 THR 29 HG1 THR 29 3.609 -20.429 -11.920 242 1HG2 THR 29 1HG2 THR 29 2.950 -20.697 -15.670 243 2HG2 THR 29 2HG2 THR 29 1.940 -20.473 -14.221 244 3HG2 THR 29 3HG2 THR 29 2.863 -19.112 -14.887 245 HA PRO 30 HA PRO 30 4.733 -25.190 -16.325 246 1HB PRO 30 HB2 PRO 30 2.164 -24.361 -17.690 247 2HB PRO 30 HB3 PRO 30 2.874 -25.992 -17.547 248 1HG PRO 30 HG2 PRO 30 0.874 -25.239 -15.876 249 2HG PRO 30 HG3 PRO 30 2.301 -26.096 -15.221 250 1HD PRO 30 HD2 PRO 30 1.726 -23.120 -15.123 251 2HD PRO 30 HD3 PRO 30 2.378 -24.226 -13.872 252 H ASP 31 H ASP 31 3.160 -22.176 -17.615 253 HA ASP 31 HA ASP 31 5.430 -21.583 -19.345 254 1HB ASP 31 HB2 ASP 31 4.215 -23.378 -20.588 255 2HB ASP 31 HB3 ASP 31 2.714 -22.457 -20.456 256 HA PRO 32 HA PRO 32 3.723 -17.481 -18.554 257 1HB PRO 32 HB2 PRO 32 4.261 -17.125 -21.521 258 2HB PRO 32 HB3 PRO 32 4.499 -15.941 -20.201 259 1HG PRO 32 HG2 PRO 32 6.616 -17.374 -21.078 260 2HG PRO 32 HG3 PRO 32 6.343 -17.222 -19.316 261 1HD PRO 32 HD2 PRO 32 5.685 -19.543 -21.120 262 2HD PRO 32 HD3 PRO 32 6.386 -19.552 -19.477 263 H ALA 33 H ALA 33 2.611 -19.073 -21.623 264 HA ALA 33 HA ALA 33 0.202 -17.639 -21.907 265 1HB ALA 33 HB1 ALA 33 0.766 -20.543 -22.640 266 2HB ALA 33 HB2 ALA 33 -0.524 -19.520 -23.302 267 3HB ALA 33 HB3 ALA 33 1.174 -19.127 -23.637 268 H ALA 34 H ALA 34 1.022 -20.302 -19.735 269 HA ALA 34 HA ALA 34 -1.635 -21.185 -19.158 270 1HB ALA 34 HB1 ALA 34 0.766 -21.348 -17.301 271 2HB ALA 34 HB2 ALA 34 -0.666 -22.385 -17.335 272 3HB ALA 34 HB3 ALA 34 0.502 -22.454 -18.672 273 H LEU 35 H LEU 35 0.144 -18.303 -18.194 274 HA LEU 35 HA LEU 35 -1.173 -17.727 -15.755 275 1HB LEU 35 HB2 LEU 35 -0.206 -15.821 -17.894 276 2HB LEU 35 HB3 LEU 35 -0.656 -15.369 -16.246 277 HG LEU 35 HG LEU 35 1.598 -17.346 -16.820 278 1HD1 LEU 35 1HD1 LEU 35 2.110 -15.165 -17.872 279 2HD1 LEU 35 2HD1 LEU 35 1.764 -14.343 -16.336 280 3HD1 LEU 35 3HD1 LEU 35 3.137 -15.464 -16.460 281 1HD2 LEU 35 1HD2 LEU 35 0.868 -15.701 -14.361 282 2HD2 LEU 35 2HD2 LEU 35 0.724 -17.465 -14.523 283 3HD2 LEU 35 3HD2 LEU 35 2.317 -16.705 -14.536 284 H LYS 36 H LYS 36 -2.447 -17.720 -19.053 285 HA LYS 36 HA LYS 36 -4.687 -15.992 -18.498 286 1HB LYS 36 HB2 LYS 36 -4.194 -18.114 -20.602 287 2HB LYS 36 HB3 LYS 36 -5.559 -16.991 -20.596 288 1HG LYS 36 HG2 LYS 36 -4.023 -15.061 -20.634 289 2HG LYS 36 HG3 LYS 36 -2.637 -16.153 -20.733 290 1HD LYS 36 HD2 LYS 36 -4.899 -16.016 -22.785 291 2HD LYS 36 HD3 LYS 36 -3.346 -15.176 -22.927 292 1HE LYS 36 HE2 LYS 36 -2.162 -17.384 -22.814 293 2HE LYS 36 HE3 LYS 36 -3.732 -18.206 -22.819 294 1HZ LYS 36 HZ1 LYS 36 -2.723 -16.438 -24.930 295 2HZ LYS 36 HZ2 LYS 36 -2.790 -18.083 -24.989 296 3HZ LYS 36 HZ3 LYS 36 -4.183 -17.205 -24.933 297 H ASP 37 H ASP 37 -4.045 -19.331 -17.570 298 HA ASP 37 HA ASP 37 -6.777 -20.252 -17.745 299 1HB ASP 37 HB2 ASP 37 -4.790 -21.750 -17.657 300 2HB ASP 37 HB3 ASP 37 -4.502 -21.256 -15.983 301 H ARG 38 H ARG 38 -8.460 -19.747 -16.381 302 HA ARG 38 HA ARG 38 -8.497 -17.832 -14.482 303 1HB ARG 38 HB2 ARG 38 -10.514 -18.775 -15.352 304 2HB ARG 38 HB3 ARG 38 -10.218 -20.333 -14.548 305 1HG ARG 38 HG2 ARG 38 -10.504 -19.361 -12.364 306 2HG ARG 38 HG3 ARG 38 -10.460 -17.714 -13.024 307 1HD ARG 38 HD2 ARG 38 -12.656 -18.045 -14.074 308 2HD ARG 38 HD3 ARG 38 -12.617 -19.762 -13.664 309 HE ARG 38 HE ARG 38 -13.386 -19.313 -11.589 310 1HH1 ARG 38 1HH1 ARG 38 -12.063 -16.297 -12.868 311 2HH1 ARG 38 2HH1 ARG 38 -12.415 -15.368 -11.435 312 1HH2 ARG 38 1HH2 ARG 38 -13.850 -18.115 -9.712 313 2HH2 ARG 38 2HH2 ARG 38 -13.446 -16.425 -9.611 314 H ARG 39 H ARG 39 -7.734 -21.265 -13.751 315 HA ARG 39 HA ARG 39 -7.757 -20.985 -10.913 316 1HB ARG 39 HB2 ARG 39 -7.842 -23.177 -11.918 317 2HB ARG 39 HB3 ARG 39 -6.317 -22.912 -12.773 318 1HG ARG 39 HG2 ARG 39 -6.018 -24.413 -10.883 319 2HG ARG 39 HG3 ARG 39 -5.042 -22.961 -10.729 320 1HD ARG 39 HD2 ARG 39 -6.860 -22.047 -9.127 321 2HD ARG 39 HD3 ARG 39 -7.643 -23.618 -9.271 322 HE ARG 39 HE ARG 39 -6.086 -24.511 -7.853 323 1HH1 ARG 39 1HH2 ARG 39 -4.835 -21.380 -9.035 324 2HH1 ARG 39 2HH2 ARG 39 -3.422 -21.442 -8.021 325 1HH2 ARG 39 1HH1 ARG 39 -4.262 -24.527 -6.502 326 2HH2 ARG 39 2HH1 ARG 39 -3.123 -23.209 -6.519 327 H MET 40 H MET 40 -5.305 -20.281 -13.382 328 HA MET 40 HA MET 40 -3.222 -19.771 -11.392 329 1HB MET 40 HB2 MET 40 -2.596 -20.749 -13.531 330 2HB MET 40 HB3 MET 40 -3.297 -19.386 -14.412 331 1HG MET 40 HG2 MET 40 -0.825 -19.299 -14.176 332 2HG MET 40 HG3 MET 40 -1.678 -17.870 -13.568 333 1HE MET 40 HE1 MET 40 0.242 -21.138 -12.614 334 2HE MET 40 HE2 MET 40 0.373 -20.959 -10.850 335 3HE MET 40 HE3 MET 40 -1.206 -21.309 -11.588 336 H GLU 41 H GLU 41 -5.323 -17.873 -13.649 337 HA GLU 41 HA GLU 41 -4.444 -15.317 -13.044 338 1HB GLU 41 HB2 GLU 41 -7.318 -16.207 -13.481 339 2HB GLU 41 HB3 GLU 41 -6.764 -14.532 -13.499 340 1HG GLU 41 HG2 GLU 41 -5.218 -15.015 -15.358 341 2HG GLU 41 HG3 GLU 41 -5.792 -16.684 -15.425 342 H ASN 42 H ASN 42 -6.787 -17.232 -11.174 343 HA ASN 42 HA ASN 42 -7.310 -15.279 -9.143 344 1HB ASN 42 HB2 ASN 42 -7.403 -18.315 -9.150 345 2HB ASN 42 HB3 ASN 42 -7.683 -17.382 -7.680 346 1HD2 ASN 42 2HD2 ASN 42 -8.952 -17.962 -10.973 347 2HD2 ASN 42 1HD2 ASN 42 -10.565 -17.360 -10.600 348 H LEU 43 H LEU 43 -4.652 -17.659 -9.448 349 HA LEU 43 HA LEU 43 -3.602 -17.109 -6.816 350 1HB LEU 43 HB2 LEU 43 -3.264 -19.259 -7.895 351 2HB LEU 43 HB3 LEU 43 -2.381 -18.503 -9.227 352 HG LEU 43 HG LEU 43 -0.574 -17.825 -7.711 353 1HD1 LEU 43 1HD1 LEU 43 -2.181 -19.261 -5.545 354 2HD1 LEU 43 2HD1 LEU 43 -0.502 -18.701 -5.397 355 3HD1 LEU 43 3HD1 LEU 43 -1.797 -17.523 -5.582 356 1HD2 LEU 43 1HD2 LEU 43 -1.315 -20.762 -7.381 357 2HD2 LEU 43 2HD2 LEU 43 -0.527 -20.051 -8.805 358 3HD2 LEU 43 3HD2 LEU 43 0.307 -20.049 -7.238 359 H VAL 44 H VAL 44 -2.878 -16.009 -10.135 360 HA VAL 44 HA VAL 44 -0.674 -14.303 -9.570 361 HB VAL 44 HB VAL 44 -2.872 -14.138 -11.653 362 1HG1 VAL 44 1HG1 VAL 44 -0.290 -12.534 -11.454 363 2HG1 VAL 44 2HG1 VAL 44 -1.330 -12.617 -12.893 364 3HG1 VAL 44 3HG1 VAL 44 -1.948 -11.888 -11.408 365 1HG2 VAL 44 1HG2 VAL 44 -1.335 -16.123 -11.786 366 2HG2 VAL 44 2HG2 VAL 44 -1.198 -15.041 -13.179 367 3HG2 VAL 44 3HG2 VAL 44 0.037 -15.011 -11.901 368 H ALA 45 H ALA 45 -4.221 -13.643 -9.583 369 HA ALA 45 HA ALA 45 -4.086 -10.967 -8.722 370 1HB ALA 45 HB1 ALA 45 -6.268 -13.011 -8.139 371 2HB ALA 45 HB2 ALA 45 -6.414 -11.248 -8.026 372 3HB ALA 45 HB3 ALA 45 -6.125 -12.014 -9.601 373 H TYR 46 H TYR 46 -4.446 -13.947 -6.692 374 HA TYR 46 HA TYR 46 -4.303 -12.708 -4.156 375 1HB TYR 46 HB2 TYR 46 -4.802 -15.044 -4.279 376 2HB TYR 46 HB3 TYR 46 -3.333 -15.400 -5.173 377 HD1 TYR 46 HD1 TYR 46 -4.633 -14.486 -1.807 378 HD2 TYR 46 HD2 TYR 46 -1.177 -15.669 -4.100 379 HE1 TYR 46 HE1 TYR 46 -3.330 -14.781 0.287 380 HE2 TYR 46 HE2 TYR 46 0.143 -15.841 -2.023 381 HH TYR 46 HH TYR 46 0.061 -15.903 0.264 382 H ALA 47 H ALA 47 -1.573 -13.849 -6.215 383 HA ALA 47 HA ALA 47 0.455 -13.138 -4.372 384 1HB ALA 47 HB1 ALA 47 0.857 -14.672 -6.209 385 2HB ALA 47 HB2 ALA 47 0.537 -13.403 -7.406 386 3HB ALA 47 HB3 ALA 47 1.961 -13.290 -6.348 387 H LYS 48 H LYS 48 -0.944 -11.270 -7.103 388 HA LYS 48 HA LYS 48 0.592 -8.902 -6.791 389 1HB LYS 48 HB2 LYS 48 -2.248 -9.369 -7.781 390 2HB LYS 48 HB3 LYS 48 -1.470 -7.780 -7.779 391 1HG LYS 48 HG2 LYS 48 0.337 -8.592 -9.205 392 2HG LYS 48 HG3 LYS 48 -0.349 -10.231 -9.193 393 1HD LYS 48 HD2 LYS 48 -2.360 -9.468 -10.328 394 2HD LYS 48 HD3 LYS 48 -1.833 -7.775 -10.230 395 1HE LYS 48 HE2 LYS 48 0.094 -8.239 -11.681 396 2HE LYS 48 HE3 LYS 48 -0.311 -9.962 -11.727 397 1HZ LYS 48 HZ1 LYS 48 -1.987 -7.786 -12.765 398 2HZ LYS 48 HZ2 LYS 48 -1.072 -8.819 -13.664 399 3HZ LYS 48 HZ3 LYS 48 -2.359 -9.391 -12.810 400 H LYS 49 H LYS 49 -2.573 -9.801 -5.329 401 HA LYS 49 HA LYS 49 -2.949 -7.483 -3.771 402 1HB LYS 49 HB2 LYS 49 -3.823 -10.360 -3.429 403 2HB LYS 49 HB3 LYS 49 -4.297 -9.114 -2.283 404 1HG LYS 49 HG2 LYS 49 -5.391 -7.829 -4.022 405 2HG LYS 49 HG3 LYS 49 -4.808 -8.929 -5.283 406 1HD LYS 49 HD2 LYS 49 -6.079 -10.797 -4.253 407 2HD LYS 49 HD3 LYS 49 -6.668 -9.702 -2.985 408 1HE LYS 49 HE2 LYS 49 -7.785 -8.305 -4.722 409 2HE LYS 49 HE3 LYS 49 -7.190 -9.403 -5.984 410 1HZ LYS 49 HZ1 LYS 49 -9.005 -10.131 -3.793 411 2HZ LYS 49 HZ2 LYS 49 -9.428 -9.898 -5.368 412 3HZ LYS 49 HZ3 LYS 49 -8.448 -11.157 -4.957 413 H VAL 50 H VAL 50 -1.402 -10.595 -2.743 414 HA VAL 50 HA VAL 50 -0.802 -9.561 -0.186 415 HB VAL 50 HB VAL 50 -0.803 -12.063 -1.270 416 1HG1 VAL 50 1HG1 VAL 50 1.478 -11.852 -2.201 417 2HG1 VAL 50 2HG1 VAL 50 2.116 -11.573 -0.554 418 3HG1 VAL 50 3HG1 VAL 50 1.347 -13.114 -0.954 419 1HG2 VAL 50 1HG2 VAL 50 -0.112 -12.824 0.934 420 2HG2 VAL 50 2HG2 VAL 50 0.509 -11.206 1.327 421 3HG2 VAL 50 3HG2 VAL 50 -1.237 -11.460 1.059 422 H GLU 51 H GLU 51 1.283 -9.683 -3.171 423 HA GLU 51 HA GLU 51 3.530 -8.495 -1.969 424 1HB GLU 51 HB2 GLU 51 3.561 -9.564 -4.122 425 2HB GLU 51 HB3 GLU 51 2.462 -8.369 -4.801 426 1HG GLU 51 HG2 GLU 51 5.143 -7.589 -3.568 427 2HG GLU 51 HG3 GLU 51 5.060 -8.165 -5.227 428 H GLY 52 H GLY 52 0.639 -6.950 -3.436 429 1HA GLY 52 HA2 GLY 52 1.348 -4.242 -3.088 430 2HA GLY 52 HA3 GLY 52 -0.299 -4.901 -3.027 431 H ASP 53 H ASP 53 -0.420 -6.430 -0.842 432 HA ASP 53 HA ASP 53 -0.691 -4.698 1.337 433 1HB ASP 53 HB2 ASP 53 -1.766 -6.907 1.216 434 2HB ASP 53 HB3 ASP 53 -0.192 -7.695 1.415 435 H MET 54 H MET 54 2.044 -6.947 0.646 436 HA MET 54 HA MET 54 3.638 -6.141 2.857 437 1HB MET 54 HB2 MET 54 4.530 -7.156 0.121 438 2HB MET 54 HB3 MET 54 5.558 -6.981 1.535 439 1HG MET 54 HG2 MET 54 3.301 -8.927 1.084 440 2HG MET 54 HG3 MET 54 4.963 -9.237 1.548 441 1HE MET 54 HE1 MET 54 3.067 -10.832 4.420 442 2HE MET 54 HE2 MET 54 2.499 -10.706 2.728 443 3HE MET 54 HE3 MET 54 4.232 -10.978 3.068 444 H TYR 55 H TYR 55 3.526 -4.799 -0.466 445 HA TYR 55 HA TYR 55 5.597 -2.932 -0.156 446 1HB TYR 55 HB2 TYR 55 4.074 -3.614 -2.216 447 2HB TYR 55 HB3 TYR 55 3.133 -2.210 -1.747 448 HD1 TYR 55 HD1 TYR 55 4.582 0.044 -1.409 449 HD2 TYR 55 HD2 TYR 55 5.896 -3.401 -3.637 450 HE1 TYR 55 HE1 TYR 55 6.255 1.430 -2.610 451 HE2 TYR 55 HE2 TYR 55 7.446 -1.992 -4.929 452 HH TYR 55 HH TYR 55 8.127 0.176 -5.412 453 H GLU 56 H GLU 56 2.077 -2.506 0.529 454 HA GLU 56 HA GLU 56 2.460 0.154 1.574 455 1HB GLU 56 HB2 GLU 56 0.139 -1.775 1.881 456 2HB GLU 56 HB3 GLU 56 0.115 -0.029 2.169 457 1HG GLU 56 HG2 GLU 56 0.593 -1.389 -0.515 458 2HG GLU 56 HG3 GLU 56 -0.829 -0.505 -0.027 459 H SER 57 H SER 57 2.616 -3.044 3.089 460 HA SER 57 HA SER 57 2.512 -2.010 5.797 461 1HB SER 57 HB2 SER 57 3.667 -4.623 4.735 462 2HB SER 57 HB3 SER 57 3.327 -4.232 6.428 463 HG SER 57 HG SER 57 1.443 -4.369 4.300 464 H ALA 58 H ALA 58 5.174 -2.757 3.528 465 HA ALA 58 HA ALA 58 7.232 -2.702 5.472 466 1HB ALA 58 HB1 ALA 58 7.268 -2.516 2.465 467 2HB ALA 58 HB2 ALA 58 8.717 -2.697 3.481 468 3HB ALA 58 HB3 ALA 58 7.452 -3.951 3.489 469 H ASN 59 H ASN 59 7.958 -1.003 6.583 470 HA ASN 59 HA ASN 59 7.831 1.745 5.797 471 1HB ASN 59 HB2 ASN 59 9.322 2.105 7.714 472 2HB ASN 59 HB3 ASN 59 8.019 0.988 8.133 473 1HD2 ASN 59 2HD2 ASN 59 11.529 1.335 7.833 474 2HD2 ASN 59 1HD2 ASN 59 11.875 -0.286 8.385 475 H SER 60 H SER 60 10.069 -0.806 4.853 476 HA SER 60 HA SER 60 11.766 1.102 3.406 477 1HB SER 60 HB2 SER 60 12.836 -0.589 5.693 478 2HB SER 60 HB3 SER 60 13.828 0.283 4.508 479 HG SER 60 HG SER 60 12.061 2.020 5.420 480 H ARG 61 H ARG 61 12.935 0.096 1.766 481 HA ARG 61 HA ARG 61 11.959 -2.100 0.442 482 1HB ARG 61 HB2 ARG 61 13.464 -0.523 -0.564 483 2HB ARG 61 HB3 ARG 61 14.783 -0.973 0.533 484 1HG ARG 61 HG2 ARG 61 14.967 -3.165 -0.487 485 2HG ARG 61 HG3 ARG 61 13.506 -2.894 -1.464 486 1HD ARG 61 HD2 ARG 61 14.574 -1.143 -2.698 487 2HD ARG 61 HD3 ARG 61 15.992 -1.157 -1.623 488 HE ARG 61 HE ARG 61 15.606 -3.749 -2.756 489 1HH1 ARG 61 1HH1 ARG 61 16.767 -0.481 -3.655 490 2HH1 ARG 61 2HH1 ARG 61 17.877 -1.103 -4.838 491 1HH2 ARG 61 1HH2 ARG 61 17.101 -4.508 -4.255 492 2HH2 ARG 61 2HH2 ARG 61 18.067 -3.405 -5.202 493 H ASP 62 H ASP 62 14.691 -2.087 2.757 494 HA ASP 62 HA ASP 62 15.367 -4.775 2.777 495 1HB ASP 62 HB2 ASP 62 15.207 -2.966 5.214 496 2HB ASP 62 HB3 ASP 62 16.213 -4.408 5.028 497 H GLU 63 H GLU 63 12.699 -3.179 4.567 498 HA GLU 63 HA GLU 63 11.924 -5.562 5.991 499 1HB GLU 63 HB2 GLU 63 11.400 -3.274 6.823 500 2HB GLU 63 HB3 GLU 63 10.303 -3.027 5.453 501 1HG GLU 63 HG2 GLU 63 9.087 -3.637 7.490 502 2HG GLU 63 HG3 GLU 63 8.854 -4.832 6.216 503 H TYR 64 H TYR 64 10.782 -3.835 3.067 504 HA TYR 64 HA TYR 64 8.650 -5.504 2.323 505 1HB TYR 64 HB2 TYR 64 9.033 -3.438 1.200 506 2HB TYR 64 HB3 TYR 64 10.631 -3.921 0.694 507 HD1 TYR 64 HD1 TYR 64 11.018 -4.917 -1.377 508 HD2 TYR 64 HD2 TYR 64 7.026 -4.846 0.248 509 HE1 TYR 64 HE1 TYR 64 10.110 -5.510 -3.586 510 HE2 TYR 64 HE2 TYR 64 6.104 -5.390 -1.988 511 HH TYR 64 HH TYR 64 6.607 -5.620 -4.255 512 H TYR 65 H TYR 65 12.127 -5.919 1.468 513 HA TYR 65 HA TYR 65 11.713 -8.455 0.175 514 1HB TYR 65 HB2 TYR 65 14.089 -6.992 1.307 515 2HB TYR 65 HB3 TYR 65 14.230 -8.723 1.033 516 HD1 TYR 65 HD1 TYR 65 13.896 -5.465 -0.667 517 HD2 TYR 65 HD2 TYR 65 13.850 -9.739 -1.169 518 HE1 TYR 65 HE1 TYR 65 13.994 -5.184 -3.135 519 HE2 TYR 65 HE2 TYR 65 14.054 -9.463 -3.616 520 HH TYR 65 HH TYR 65 14.007 -7.983 -5.353 521 H HIS 66 H HIS 66 12.663 -7.683 3.570 522 HA HIS 66 HA HIS 66 12.892 -10.302 4.479 523 1HB HIS 66 HB2 HIS 66 13.581 -8.403 5.814 524 2HB HIS 66 HB3 HIS 66 11.903 -7.872 5.985 525 HD2 HIS 66 HD2 HIS 66 11.744 -8.115 8.610 526 HE1 HIS 66 HE1 HIS 66 12.342 -12.325 8.824 527 HE2 HIS 66 HE2 HIS 66 11.665 -10.246 10.134 528 H LEU 67 H LEU 67 9.860 -8.306 4.891 529 HA LEU 67 HA LEU 67 8.526 -10.637 5.845 530 1HB LEU 67 HB2 LEU 67 6.389 -9.358 5.661 531 2HB LEU 67 HB3 LEU 67 7.628 -8.852 6.802 532 HG LEU 67 HG LEU 67 8.235 -6.958 5.483 533 1HD1 LEU 67 1HD1 LEU 67 8.017 -7.710 3.241 534 2HD1 LEU 67 2HD1 LEU 67 6.310 -8.102 3.442 535 3HD1 LEU 67 3HD1 LEU 67 6.836 -6.402 3.419 536 1HD2 LEU 67 1HD2 LEU 67 6.204 -5.644 5.615 537 2HD2 LEU 67 2HD2 LEU 67 5.213 -7.122 5.660 538 3HD2 LEU 67 3HD2 LEU 67 6.309 -6.737 7.007 539 H LEU 68 H LEU 68 8.914 -9.528 2.506 540 HA LEU 68 HA LEU 68 6.887 -11.345 1.510 541 1HB LEU 68 HB2 LEU 68 9.291 -9.983 0.251 542 2HB LEU 68 HB3 LEU 68 8.435 -11.252 -0.621 543 HG LEU 68 HG LEU 68 7.003 -8.816 0.480 544 1HD1 LEU 68 1HD1 LEU 68 8.128 -9.327 -2.310 545 2HD1 LEU 68 2HD1 LEU 68 6.983 -8.041 -1.887 546 3HD1 LEU 68 3HD1 LEU 68 8.617 -8.043 -1.180 547 1HD2 LEU 68 1HD2 LEU 68 5.564 -10.871 -0.087 548 2HD2 LEU 68 2HD2 LEU 68 5.263 -9.481 -1.121 549 3HD2 LEU 68 3HD2 LEU 68 6.257 -10.815 -1.717 550 H ALA 69 H ALA 69 10.465 -11.657 1.855 551 HA ALA 69 HA ALA 69 10.618 -14.366 0.983 552 1HB ALA 69 HB1 ALA 69 12.750 -14.408 2.222 553 2HB ALA 69 HB2 ALA 69 12.585 -12.901 1.299 554 3HB ALA 69 HB3 ALA 69 12.318 -12.899 3.056 555 H GLU 70 H GLU 70 10.095 -12.999 4.267 556 HA GLU 70 HA GLU 70 9.869 -15.448 5.619 557 1HB GLU 70 HB2 GLU 70 10.144 -13.172 6.638 558 2HB GLU 70 HB3 GLU 70 8.453 -12.828 6.232 559 1HG GLU 70 HG2 GLU 70 8.680 -13.465 8.561 560 2HG GLU 70 HG3 GLU 70 7.707 -14.667 7.707 561 H LYS 71 H LYS 71 7.276 -13.464 3.996 562 HA LYS 71 HA LYS 71 5.123 -15.122 4.679 563 1HB LYS 71 HB2 LYS 71 4.892 -12.940 3.751 564 2HB LYS 71 HB3 LYS 71 5.590 -13.431 2.207 565 1HG LYS 71 HG2 LYS 71 3.150 -13.158 2.119 566 2HG LYS 71 HG3 LYS 71 3.648 -14.803 1.711 567 1HD LYS 71 HD2 LYS 71 2.907 -15.681 3.761 568 2HD LYS 71 HD3 LYS 71 2.853 -14.086 4.543 569 1HE LYS 71 HE2 LYS 71 1.012 -14.777 2.233 570 2HE LYS 71 HE3 LYS 71 0.608 -15.194 3.905 571 1HZ LYS 71 HZ1 LYS 71 -0.301 -13.093 3.264 572 2HZ LYS 71 HZ2 LYS 71 0.772 -12.917 4.501 573 3HZ LYS 71 HZ3 LYS 71 1.201 -12.484 2.970 574 H ILE 72 H ILE 72 7.284 -15.302 1.791 575 HA ILE 72 HA ILE 72 6.203 -17.680 0.661 576 HB ILE 72 HB ILE 72 9.037 -16.578 0.693 577 1HG1 ILE 72 2HG1 ILE 72 6.872 -16.607 -1.433 578 2HG1 ILE 72 3HG1 ILE 72 7.432 -15.207 -0.486 579 1HG2 ILE 72 1HG2 ILE 72 9.323 -18.912 0.433 580 2HG2 ILE 72 2HG2 ILE 72 7.960 -19.053 -0.693 581 3HG2 ILE 72 3HG2 ILE 72 9.475 -18.230 -1.166 582 1HD1 ILE 72 1HD1 ILE 72 8.584 -14.967 -2.498 583 2HD1 ILE 72 2HD1 ILE 72 9.774 -15.712 -1.423 584 3HD1 ILE 72 3HD1 ILE 72 8.933 -16.690 -2.652 585 H TYR 73 H TYR 73 8.841 -17.302 3.028 586 HA TYR 73 HA TYR 73 9.540 -19.956 3.419 587 1HB TYR 73 HB2 TYR 73 10.542 -17.748 4.211 588 2HB TYR 73 HB3 TYR 73 9.486 -17.869 5.601 589 HD1 TYR 73 HD1 TYR 73 9.910 -20.973 6.017 590 HD2 TYR 73 HD2 TYR 73 12.658 -17.753 5.184 591 HE1 TYR 73 HE1 TYR 73 11.438 -21.831 7.736 592 HE2 TYR 73 HE2 TYR 73 14.180 -18.615 6.886 593 HH TYR 73 HH TYR 73 14.416 -20.078 8.680 594 H LYS 74 H LYS 74 7.155 -18.051 5.289 595 HA LYS 74 HA LYS 74 6.163 -20.171 6.902 596 1HB LYS 74 HB2 LYS 74 4.794 -17.630 5.916 597 2HB LYS 74 HB3 LYS 74 4.083 -18.789 7.048 598 1HG LYS 74 HG2 LYS 74 6.091 -18.484 8.564 599 2HG LYS 74 HG3 LYS 74 6.661 -17.221 7.475 600 1HD LYS 74 HD2 LYS 74 5.543 -16.150 9.291 601 2HD LYS 74 HD3 LYS 74 4.498 -15.972 7.872 602 1HE LYS 74 HE2 LYS 74 3.040 -17.811 8.700 603 2HE LYS 74 HE3 LYS 74 4.165 -18.131 10.025 604 1HZ LYS 74 HZ1 LYS 74 2.305 -16.829 10.720 605 2HZ LYS 74 HZ2 LYS 74 3.688 -15.947 10.868 606 3HZ LYS 74 HZ3 LYS 74 2.649 -15.648 9.625 607 H ILE 75 H ILE 75 4.850 -18.945 3.744 608 HA ILE 75 HA ILE 75 2.732 -20.807 3.490 609 HB ILE 75 HB ILE 75 4.527 -19.535 1.378 610 1HG1 ILE 75 2HG1 ILE 75 1.643 -18.958 2.232 611 2HG1 ILE 75 3HG1 ILE 75 3.014 -18.093 2.909 612 1HG2 ILE 75 1HG2 ILE 75 2.691 -20.169 -0.203 613 2HG2 ILE 75 2HG2 ILE 75 3.554 -21.565 0.408 614 3HG2 ILE 75 3HG2 ILE 75 1.957 -21.152 1.071 615 1HD1 ILE 75 1HD1 ILE 75 2.177 -18.042 -0.017 616 2HD1 ILE 75 2HD1 ILE 75 2.074 -16.741 1.171 617 3HD1 ILE 75 3HD1 ILE 75 3.664 -17.312 0.632 618 H GLN 76 H GLN 76 6.154 -21.223 2.393 619 HA GLN 76 HA GLN 76 5.698 -23.909 1.530 620 1HB GLN 76 HB2 GLN 76 8.105 -22.245 2.221 621 2HB GLN 76 HB3 GLN 76 8.340 -23.969 2.004 622 1HG GLN 76 HG2 GLN 76 7.080 -22.113 -0.075 623 2HG GLN 76 HG3 GLN 76 8.725 -22.754 -0.111 624 1HE2 GLN 76 2HE2 GLN 76 6.321 -23.283 -2.077 625 2HE2 GLN 76 1HE2 GLN 76 6.285 -25.035 -2.060 626 H LYS 77 H LYS 77 6.928 -22.707 4.706 627 HA LYS 77 HA LYS 77 7.343 -25.256 5.830 628 1HB LYS 77 HB2 LYS 77 6.607 -22.574 7.018 629 2HB LYS 77 HB3 LYS 77 6.865 -23.959 8.065 630 1HG LYS 77 HG2 LYS 77 9.018 -23.283 6.070 631 2HG LYS 77 HG3 LYS 77 8.789 -22.265 7.500 632 1HD LYS 77 HD2 LYS 77 10.487 -23.947 7.948 633 2HD LYS 77 HD3 LYS 77 9.095 -24.125 9.023 634 1HE LYS 77 HE2 LYS 77 8.292 -26.049 7.730 635 2HE LYS 77 HE3 LYS 77 9.562 -25.780 6.510 636 1HZ LYS 77 HZ1 LYS 77 11.180 -26.265 8.186 637 2HZ LYS 77 HZ2 LYS 77 10.005 -26.491 9.320 638 3HZ LYS 77 HZ3 LYS 77 10.118 -27.517 8.038 639 H GLU 78 H GLU 78 4.410 -23.264 5.869 640 HA GLU 78 HA GLU 78 2.882 -25.124 7.464 641 1HB GLU 78 HB2 GLU 78 2.075 -22.780 5.701 642 2HB GLU 78 HB3 GLU 78 0.959 -23.673 6.744 643 1HG GLU 78 HG2 GLU 78 3.398 -22.146 7.747 644 2HG GLU 78 HG3 GLU 78 1.734 -21.567 7.774 645 H LEU 79 H LEU 79 2.807 -24.250 4.006 646 HA LEU 79 HA LEU 79 0.730 -26.148 3.424 647 1HB LEU 79 HB2 LEU 79 1.235 -23.714 2.551 648 2HB LEU 79 HB3 LEU 79 2.283 -24.548 1.398 649 HG LEU 79 HG LEU 79 0.235 -25.818 0.622 650 1HD1 LEU 79 1HD1 LEU 79 -1.200 -23.895 2.514 651 2HD1 LEU 79 2HD1 LEU 79 -1.989 -24.834 1.232 652 3HD1 LEU 79 3HD1 LEU 79 -1.236 -25.670 2.588 653 1HD2 LEU 79 1HD2 LEU 79 -0.691 -23.808 -0.554 654 2HD2 LEU 79 2HD2 LEU 79 0.126 -22.758 0.634 655 3HD2 LEU 79 3HD2 LEU 79 1.081 -23.748 -0.482 656 H GLU 80 H GLU 80 4.211 -26.289 3.270 657 HA GLU 80 HA GLU 80 5.682 -27.769 2.427 658 1HB GLU 80 HB2 GLU 80 3.394 -29.656 3.060 659 2HB GLU 80 HB3 GLU 80 5.066 -30.161 2.809 660 1HG GLU 80 HG2 GLU 80 4.250 -28.185 4.999 661 2HG GLU 80 HG3 GLU 80 4.354 -29.928 5.222 662 H GLU 81 H GLU 81 4.192 -26.484 0.328 663 HA GLU 81 HA GLU 81 3.832 -28.495 -1.777 664 1HB GLU 81 HB2 GLU 81 3.942 -25.462 -1.855 665 2HB GLU 81 HB3 GLU 81 3.596 -26.488 -3.248 666 1HG GLU 81 HG2 GLU 81 1.956 -26.405 -0.696 667 2HG GLU 81 HG3 GLU 81 1.532 -25.595 -2.212 668 H LYS 82 H LYS 82 5.989 -29.387 -1.109 669 HA LYS 82 HA LYS 82 8.418 -28.048 -1.985 670 1HB LYS 82 HB2 LYS 82 7.782 -30.923 -1.215 671 2HB LYS 82 HB3 LYS 82 9.414 -30.314 -1.534 672 1HG LYS 82 HG2 LYS 82 9.341 -28.822 0.342 673 2HG LYS 82 HG3 LYS 82 7.610 -29.091 0.601 674 1HD LYS 82 HD2 LYS 82 7.945 -31.414 1.173 675 2HD LYS 82 HD3 LYS 82 9.673 -31.333 0.797 676 1HE LYS 82 HE2 LYS 82 8.334 -29.626 2.946 677 2HE LYS 82 HE3 LYS 82 9.053 -31.210 3.274 678 1HZ LYS 82 HZ1 LYS 82 10.478 -28.895 2.178 679 2HZ LYS 82 HZ2 LYS 82 10.573 -29.453 3.723 680 3HZ LYS 82 HZ3 LYS 82 11.139 -30.377 2.479 681 H ARG 83 H ARG 83 7.877 -27.477 -4.171 682 HA ARG 83 HA ARG 83 8.205 -29.720 -6.138 683 1HB ARG 83 HB2 ARG 83 7.097 -26.956 -6.716 684 2HB ARG 83 HB3 ARG 83 7.084 -28.393 -7.757 685 1HG ARG 83 HG2 ARG 83 5.406 -27.847 -5.281 686 2HG ARG 83 HG3 ARG 83 4.874 -27.982 -6.955 687 1HD ARG 83 HD2 ARG 83 5.778 -30.203 -5.101 688 2HD ARG 83 HD3 ARG 83 4.229 -29.987 -5.870 689 HE ARG 83 HE ARG 83 5.237 -30.436 -8.047 690 1HH1 ARG 83 1HH1 ARG 83 7.240 -31.518 -5.254 691 2HH1 ARG 83 2HH1 ARG 83 7.780 -32.935 -6.096 692 1HH2 ARG 83 1HH2 ARG 83 6.098 -32.210 -9.113 693 2HH2 ARG 83 2HH2 ARG 83 7.226 -33.276 -8.325 694 H ARG 84 H ARG 84 8.908 -27.413 -8.067 695 HA ARG 84 HA ARG 84 11.724 -27.306 -7.781 696 1HB ARG 84 HB2 ARG 84 9.821 -25.282 -9.033 697 2HB ARG 84 HB3 ARG 84 11.576 -25.303 -9.236 698 1HG ARG 84 HG2 ARG 84 11.434 -27.541 -10.287 699 2HG ARG 84 HG3 ARG 84 9.676 -27.546 -10.083 700 1HD ARG 84 HD2 ARG 84 10.195 -26.899 -12.358 701 2HD ARG 84 HD3 ARG 84 9.504 -25.511 -11.490 702 HE ARG 84 HE ARG 84 12.385 -25.530 -11.343 703 1HH1 ARG 84 2HH1 ARG 84 9.717 -24.797 -13.545 704 2HH1 ARG 84 1HH1 ARG 84 10.613 -23.629 -14.472 705 1HH2 ARG 84 2HH2 ARG 84 13.575 -24.010 -12.554 706 2HH2 ARG 84 1HH2 ARG 84 12.852 -23.187 -13.908 707 H SER 85 H SER 85 9.153 -25.537 -6.194 708 HA SER 85 HA SER 85 10.307 -23.325 -5.010 709 1HB SER 85 HB2 SER 85 8.564 -24.059 -3.200 710 2HB SER 85 HB3 SER 85 7.995 -23.636 -4.829 711 HG SER 85 HG SER 85 7.203 -25.695 -3.913 712 H ARG 86 H ARG 86 11.065 -26.754 -4.304 713 HA ARG 86 HA ARG 86 12.109 -26.490 -1.736 714 1HB ARG 86 HB2 ARG 86 12.072 -28.453 -3.636 715 2HB ARG 86 HB3 ARG 86 13.760 -27.971 -3.778 716 1HG ARG 86 HG2 ARG 86 12.269 -28.763 -1.249 717 2HG ARG 86 HG3 ARG 86 13.260 -29.863 -2.212 718 1HD ARG 86 HD2 ARG 86 14.289 -27.406 -0.727 719 2HD ARG 86 HD3 ARG 86 14.475 -29.073 -0.219 720 HE ARG 86 HE ARG 86 15.733 -29.499 -2.334 721 1HH1 ARG 86 1HH2 ARG 86 15.711 -26.079 -1.299 722 2HH1 ARG 86 2HH2 ARG 86 17.454 -25.959 -1.363 723 1HH2 ARG 86 1HH1 ARG 86 17.943 -29.111 -2.802 724 2HH2 ARG 86 2HH1 ARG 86 18.635 -27.541 -2.430 725 H LEU 87 H LEU 87 13.416 -25.458 -4.859 726 HA LEU 87 HA LEU 87 15.886 -24.316 -3.723 727 1HB LEU 87 HB2 LEU 87 14.659 -23.965 -6.483 728 2HB LEU 87 HB3 LEU 87 16.312 -23.581 -5.994 729 HG LEU 87 HG LEU 87 15.095 -26.387 -6.124 730 1HD1 LEU 87 1HD1 LEU 87 15.407 -25.346 -8.338 731 2HD1 LEU 87 2HD1 LEU 87 17.107 -25.007 -7.945 732 3HD1 LEU 87 3HD1 LEU 87 16.539 -26.686 -8.080 733 1HD2 LEU 87 1HD2 LEU 87 17.416 -27.177 -5.813 734 2HD2 LEU 87 2HD2 LEU 87 17.971 -25.503 -5.609 735 3HD2 LEU 87 3HD2 LEU 87 16.889 -26.244 -4.409 736 1H LYS 88 H1 LYS 88 16.459 -29.521 4.168 737 2H LYS 88 H2 LYS 88 17.480 -29.865 5.416 738 3H LYS 88 H3 LYS 88 15.983 -30.551 5.361 739 HA LYS 88 HA LYS 88 14.918 -28.463 5.607 740 1HB LYS 88 HB2 LYS 88 15.389 -29.790 7.599 741 2HB LYS 88 HB3 LYS 88 16.998 -29.062 7.744 742 1HG LYS 88 HG2 LYS 88 15.999 -26.858 8.197 743 2HG LYS 88 HG3 LYS 88 14.387 -27.491 7.839 744 1HD LYS 88 HD2 LYS 88 14.713 -27.234 10.218 745 2HD LYS 88 HD3 LYS 88 14.455 -28.934 9.828 746 1HE LYS 88 HE2 LYS 88 17.279 -27.809 10.114 747 2HE LYS 88 HE3 LYS 88 16.320 -28.216 11.542 748 1HZ LYS 88 HZ1 LYS 88 17.688 -30.023 10.879 749 2HZ LYS 88 HZ2 LYS 88 16.096 -30.426 10.774 750 3HZ LYS 88 HZ3 LYS 88 16.958 -30.116 9.407 751 H GLU 89 H GLU 89 18.312 -27.890 6.625 752 HA GLU 89 HA GLU 89 18.201 -25.128 6.480 753 1HB GLU 89 HB2 GLU 89 20.613 -26.953 6.065 754 2HB GLU 89 HB3 GLU 89 20.689 -25.213 6.388 755 1HG GLU 89 HG2 GLU 89 19.504 -25.527 8.531 756 2HG GLU 89 HG3 GLU 89 19.397 -27.270 8.246 757 H LYS 90 H LYS 90 19.196 -27.367 3.926 758 HA LYS 90 HA LYS 90 19.888 -25.503 1.915 759 1HB LYS 90 HB2 LYS 90 18.652 -28.285 1.751 760 2HB LYS 90 HB3 LYS 90 19.196 -27.354 0.346 761 1HG LYS 90 HG2 LYS 90 21.486 -27.253 1.229 762 2HG LYS 90 HG3 LYS 90 20.995 -28.078 2.706 763 1HD LYS 90 HD2 LYS 90 22.130 -29.610 1.154 764 2HD LYS 90 HD3 LYS 90 20.479 -30.125 1.509 765 1HE LYS 90 HE2 LYS 90 21.113 -30.392 -0.889 766 2HE LYS 90 HE3 LYS 90 19.690 -29.374 -0.661 767 1HZ LYS 90 HZ1 LYS 90 22.428 -28.393 -1.103 768 2HZ LYS 90 HZ2 LYS 90 21.242 -28.464 -2.243 769 3HZ LYS 90 HZ3 LYS 90 21.078 -27.457 -0.952 770 H ARG 91 H ARG 91 16.707 -26.782 2.860 771 HA ARG 91 HA ARG 91 15.254 -25.598 0.633 772 1HB ARG 91 HB2 ARG 91 14.389 -27.524 2.033 773 2HB ARG 91 HB3 ARG 91 14.210 -26.400 3.379 774 1HG ARG 91 HG2 ARG 91 12.767 -25.005 1.572 775 2HG ARG 91 HG3 ARG 91 12.620 -26.612 0.848 776 1HD ARG 91 HD2 ARG 91 11.945 -27.418 3.210 777 2HD ARG 91 HD3 ARG 91 11.804 -25.691 3.638 778 HE ARG 91 HE ARG 91 10.315 -26.077 1.282 779 1HH1 ARG 91 1HH2 ARG 91 10.237 -27.102 4.679 780 2HH1 ARG 91 2HH2 ARG 91 8.490 -27.287 4.693 781 1HH2 ARG 91 2HH1 ARG 91 8.012 -26.247 1.378 782 2HH2 ARG 91 1HH1 ARG 91 7.246 -26.566 2.915 783 H ILE 92 H ILE 92 15.597 -24.788 4.099 784 HA ILE 92 HA ILE 92 14.145 -22.379 4.000 785 HB ILE 92 HB ILE 92 16.209 -23.560 5.869 786 1HG1 ILE 92 2HG1 ILE 92 14.286 -23.183 7.483 787 2HG1 ILE 92 3HG1 ILE 92 13.330 -22.589 6.117 788 1HG2 ILE 92 1HG2 ILE 92 15.216 -20.699 6.017 789 2HG2 ILE 92 2HG2 ILE 92 15.920 -21.586 7.391 790 3HG2 ILE 92 3HG2 ILE 92 16.898 -21.250 5.972 791 1HD1 ILE 92 1HD1 ILE 92 12.799 -24.912 6.702 792 2HD1 ILE 92 2HD1 ILE 92 13.446 -24.806 5.061 793 3HD1 ILE 92 3HD1 ILE 92 14.477 -25.386 6.397 794 H LYS 93 H LYS 93 17.716 -22.798 3.688 795 HA LYS 93 HA LYS 93 18.037 -19.975 3.367 796 1HB LYS 93 HB2 LYS 93 19.934 -22.283 2.876 797 2HB LYS 93 HB3 LYS 93 20.424 -20.592 2.730 798 1HG LYS 93 HG2 LYS 93 19.095 -21.535 5.287 799 2HG LYS 93 HG3 LYS 93 20.779 -21.930 4.974 800 1HD LYS 93 HD2 LYS 93 20.660 -19.957 6.344 801 2HD LYS 93 HD3 LYS 93 21.391 -19.570 4.784 802 1HE LYS 93 HE2 LYS 93 19.379 -18.427 4.044 803 2HE LYS 93 HE3 LYS 93 18.458 -19.014 5.456 804 1HZ LYS 93 HZ1 LYS 93 19.153 -16.767 5.677 805 2HZ LYS 93 HZ2 LYS 93 19.884 -17.696 6.827 806 3HZ LYS 93 HZ3 LYS 93 20.742 -17.176 5.517 807 H GLU 94 H GLU 94 17.969 -22.659 0.914 808 HA GLU 94 HA GLU 94 18.555 -20.851 -1.241 809 1HB GLU 94 HB2 GLU 94 17.089 -23.516 -1.242 810 2HB GLU 94 HB3 GLU 94 17.540 -22.601 -2.684 811 1HG GLU 94 HG2 GLU 94 19.924 -22.645 -2.039 812 2HG GLU 94 HG3 GLU 94 19.544 -23.599 -0.605 813 H LEU 95 H LEU 95 15.447 -21.957 0.190 814 HA LEU 95 HA LEU 95 13.692 -20.581 -1.486 815 1HB LEU 95 HB2 LEU 95 13.083 -22.260 0.216 816 2HB LEU 95 HB3 LEU 95 13.485 -21.118 1.514 817 HG LEU 95 HG LEU 95 11.618 -19.649 0.787 818 1HD1 LEU 95 1HD1 LEU 95 9.922 -20.735 -0.820 819 2HD1 LEU 95 2HD1 LEU 95 11.407 -20.172 -1.605 820 3HD1 LEU 95 3HD1 LEU 95 11.178 -21.898 -1.250 821 1HD2 LEU 95 1HD2 LEU 95 11.319 -21.394 2.506 822 2HD2 LEU 95 2HD2 LEU 95 9.854 -21.143 1.535 823 3HD2 LEU 95 3HD2 LEU 95 10.875 -22.570 1.249 824 H GLU 96 H GLU 96 15.123 -19.436 1.625 825 HA GLU 96 HA GLU 96 13.995 -16.839 1.573 826 1HB GLU 96 HB2 GLU 96 14.952 -17.924 3.535 827 2HB GLU 96 HB3 GLU 96 16.567 -17.877 2.830 828 1HG GLU 96 HG2 GLU 96 16.492 -15.382 2.864 829 2HG GLU 96 HG3 GLU 96 14.872 -15.457 3.585 830 H LEU 97 H LEU 97 17.215 -17.977 0.486 831 HA LEU 97 HA LEU 97 18.241 -15.500 -0.350 832 1HB LEU 97 HB2 LEU 97 19.544 -17.495 0.127 833 2HB LEU 97 HB3 LEU 97 18.926 -18.313 -1.310 834 HG LEU 97 HG LEU 97 20.296 -15.637 -1.651 835 1HD1 LEU 97 1HD1 LEU 97 22.508 -16.755 -1.703 836 2HD1 LEU 97 2HD1 LEU 97 21.779 -16.813 -0.091 837 3HD1 LEU 97 3HD1 LEU 97 21.757 -18.259 -1.125 838 1HD2 LEU 97 1HD2 LEU 97 21.146 -16.716 -3.715 839 2HD2 LEU 97 2HD2 LEU 97 20.373 -18.243 -3.255 840 3HD2 LEU 97 3HD2 LEU 97 19.386 -16.830 -3.667 841 H LEU 98 H LEU 98 16.390 -17.965 -2.194 842 HA LEU 98 HA LEU 98 16.740 -16.962 -4.748 843 1HB LEU 98 HB2 LEU 98 15.640 -19.084 -4.288 844 2HB LEU 98 HB3 LEU 98 14.294 -18.261 -3.492 845 HG LEU 98 HG LEU 98 13.633 -17.220 -5.645 846 1HD1 LEU 98 1HD1 LEU 98 15.899 -18.909 -6.809 847 2HD1 LEU 98 2HD1 LEU 98 14.648 -18.083 -7.759 848 3HD1 LEU 98 3HD1 LEU 98 15.806 -17.134 -6.823 849 1HD2 LEU 98 1HD2 LEU 98 12.777 -19.263 -6.682 850 2HD2 LEU 98 2HD2 LEU 98 13.957 -20.238 -5.781 851 3HD2 LEU 98 3HD2 LEU 98 12.671 -19.370 -4.916 852 H LEU 99 H LEU 99 14.128 -16.038 -2.426 853 HA LEU 99 HA LEU 99 12.964 -14.163 -4.217 854 1HB LEU 99 HB2 LEU 99 11.925 -15.196 -2.170 855 2HB LEU 99 HB3 LEU 99 12.807 -14.053 -1.170 856 HG LEU 99 HG LEU 99 10.472 -13.428 -1.559 857 1HD1 LEU 99 1HD1 LEU 99 10.686 -11.131 -2.062 858 2HD1 LEU 99 2HD1 LEU 99 12.179 -11.614 -1.231 859 3HD1 LEU 99 3HD1 LEU 99 12.156 -11.369 -3.000 860 1HD2 LEU 99 1HD2 LEU 99 10.325 -14.401 -3.904 861 2HD2 LEU 99 2HD2 LEU 99 9.548 -12.821 -3.670 862 3HD2 LEU 99 3HD2 LEU 99 11.111 -12.924 -4.491 863 H MET 100 H MET 100 15.312 -13.714 -1.531 864 HA MET 100 HA MET 100 15.718 -10.928 -1.798 865 1HB MET 100 HB2 MET 100 17.642 -13.136 -0.986 866 2HB MET 100 HB3 MET 100 17.973 -11.404 -0.816 867 1HG MET 100 HG2 MET 100 16.037 -11.114 0.631 868 2HG MET 100 HG3 MET 100 15.576 -12.811 0.442 869 1HE MET 100 HE1 MET 100 15.874 -11.236 3.218 870 2HE MET 100 HE2 MET 100 15.303 -12.915 3.051 871 3HE MET 100 HE3 MET 100 16.614 -12.528 4.192 872 H SER 101 H SER 101 17.161 -13.596 -3.644 873 HA SER 101 HA SER 101 18.987 -11.986 -5.120 874 1HB SER 101 HB2 SER 101 19.210 -14.437 -4.717 875 2HB SER 101 HB3 SER 101 17.870 -14.718 -5.849 876 HG SER 101 HG SER 101 19.190 -13.479 -7.383 877 H THR 102 H THR 102 15.552 -12.104 -5.491 878 HA THR 102 HA THR 102 15.240 -12.244 -8.245 879 HB THR 102 HB THR 102 13.695 -10.344 -6.441 880 HG1 THR 102 HG1 THR 102 13.608 -12.382 -5.592 881 1HG2 THR 102 1HG2 THR 102 13.215 -10.041 -8.878 882 2HG2 THR 102 2HG2 THR 102 12.954 -11.794 -9.018 883 3HG2 THR 102 3HG2 THR 102 11.849 -10.805 -8.058 884 H GLU 103 H GLU 103 16.192 -9.357 -6.339 885 HA GLU 103 HA GLU 103 16.142 -7.498 -8.483 886 1HB GLU 103 HB2 GLU 103 17.677 -6.150 -7.107 887 2HB GLU 103 HB3 GLU 103 16.275 -6.759 -6.228 888 1HG GLU 103 HG2 GLU 103 17.765 -8.601 -5.275 889 2HG GLU 103 HG3 GLU 103 19.140 -7.800 -6.047 890 H ASN 104 H ASN 104 18.709 -9.735 -7.422 891 HA ASN 104 HA ASN 104 20.723 -8.772 -9.250 892 1HB ASN 104 HB2 ASN 104 21.312 -10.101 -7.272 893 2HB ASN 104 HB3 ASN 104 20.405 -11.483 -7.896 894 1HD2 ASN 104 2HD2 ASN 104 23.320 -9.485 -8.380 895 2HD2 ASN 104 1HD2 ASN 104 24.108 -10.646 -9.433 896 H GLU 105 H GLU 105 18.372 -11.480 -9.353 897 HA GLU 105 HA GLU 105 19.037 -12.460 -11.932 898 1HB GLU 105 HB2 GLU 105 16.393 -12.415 -10.429 899 2HB GLU 105 HB3 GLU 105 16.671 -13.336 -11.915 900 1HG GLU 105 HG2 GLU 105 18.295 -14.749 -10.889 901 2HG GLU 105 HG3 GLU 105 18.453 -13.707 -9.473 902 H LEU 106 H LEU 106 16.682 -9.940 -10.982 903 HA LEU 106 HA LEU 106 15.666 -9.343 -13.545 904 1HB LEU 106 HB2 LEU 106 14.815 -8.645 -11.212 905 2HB LEU 106 HB3 LEU 106 16.043 -7.383 -11.251 906 HG LEU 106 HG LEU 106 14.879 -6.770 -13.584 907 1HD1 LEU 106 1HD1 LEU 106 12.455 -7.260 -13.544 908 2HD1 LEU 106 2HD1 LEU 106 13.354 -8.785 -13.530 909 3HD1 LEU 106 3HD1 LEU 106 12.640 -8.154 -12.028 910 1HD2 LEU 106 1HD2 LEU 106 13.340 -5.268 -12.339 911 2HD2 LEU 106 2HD2 LEU 106 13.622 -6.219 -10.867 912 3HD2 LEU 106 3HD2 LEU 106 14.953 -5.299 -11.600 913 H LYS 107 H LYS 107 18.331 -7.804 -11.675 914 HA LYS 107 HA LYS 107 19.159 -5.974 -13.711 915 1HB LYS 107 HB2 LYS 107 20.577 -7.206 -11.323 916 2HB LYS 107 HB3 LYS 107 21.318 -5.977 -12.360 917 1HG LYS 107 HG2 LYS 107 19.595 -4.368 -11.863 918 2HG LYS 107 HG3 LYS 107 18.647 -5.555 -10.952 919 1HD LYS 107 HD2 LYS 107 20.494 -5.812 -9.321 920 2HD LYS 107 HD3 LYS 107 21.450 -4.601 -10.193 921 1HE LYS 107 HE2 LYS 107 18.736 -4.124 -8.859 922 2HE LYS 107 HE3 LYS 107 20.311 -3.654 -8.198 923 1HZ LYS 107 HZ1 LYS 107 19.276 -1.823 -9.265 924 2HZ LYS 107 HZ2 LYS 107 20.620 -2.249 -10.119 925 3HZ LYS 107 HZ3 LYS 107 19.122 -2.643 -10.683 926 H GLY 108 H GLY 108 19.885 -9.386 -13.177 927 1HA GLY 108 HA2 GLY 108 22.109 -9.968 -14.553 928 2HA GLY 108 HA3 GLY 108 20.645 -10.956 -14.650 929 H GLN 109 H GLN 109 19.132 -8.848 -16.112 930 HA GLN 109 HA GLN 109 19.916 -9.472 -18.843 931 1HB GLN 109 HB2 GLN 109 17.761 -7.739 -17.578 932 2HB GLN 109 HB3 GLN 109 18.009 -7.822 -19.323 933 1HG GLN 109 HG2 GLN 109 16.223 -9.337 -18.626 934 2HG GLN 109 HG3 GLN 109 17.563 -10.168 -19.420 935 1HE2 GLN 109 2HE2 GLN 109 16.939 -9.141 -15.952 936 2HE2 GLN 109 1HE2 GLN 109 17.295 -10.729 -15.320 937 H GLN 110 H GLN 110 22.173 -8.530 -18.146 938 HA GLN 110 HA GLN 110 22.518 -5.643 -18.364 939 1HB GLN 110 HB2 GLN 110 24.445 -8.003 -18.487 940 2HB GLN 110 HB3 GLN 110 24.952 -6.309 -18.524 941 1HG GLN 110 HG2 GLN 110 23.379 -7.570 -16.232 942 2HG GLN 110 HG3 GLN 110 25.130 -7.354 -16.275 943 1HE2 GLN 110 2HE2 GLN 110 22.157 -5.818 -15.470 944 2HE2 GLN 110 1HE2 GLN 110 22.823 -4.206 -15.214 945 H ALA 111 H ALA 111 21.085 -5.626 -20.328 946 HA ALA 111 HA ALA 111 22.128 -6.530 -22.868 947 1HB ALA 111 HB1 ALA 111 20.298 -5.192 -23.813 948 2HB ALA 111 HB2 ALA 111 19.733 -6.174 -22.446 949 3HB ALA 111 HB3 ALA 111 20.016 -4.432 -22.231 950 H LEU 112 H LEU 112 24.365 -5.557 -22.158 951 HA LEU 112 HA LEU 112 24.804 -2.726 -22.579 952 1HB LEU 112 HB2 LEU 112 26.755 -5.050 -22.823 953 2HB LEU 112 HB3 LEU 112 27.181 -3.342 -22.673 954 HG LEU 112 HG LEU 112 25.779 -5.030 -20.546 955 1HD1 LEU 112 1HD1 LEU 112 27.887 -4.807 -19.318 956 2HD1 LEU 112 2HD1 LEU 112 28.154 -5.598 -20.881 957 3HD1 LEU 112 3HD1 LEU 112 28.598 -3.891 -20.664 958 1HD2 LEU 112 1HD2 LEU 112 25.030 -2.706 -20.334 959 2HD2 LEU 112 2HD2 LEU 112 26.196 -3.067 -19.060 960 3HD2 LEU 112 3HD2 LEU 112 26.706 -2.123 -20.475 Start of MODEL 20 1 1H GLY 1 H1 GLY 1 3.068 -5.194 -7.567 2 2H GLY 1 H2 GLY 1 4.704 -5.191 -7.543 3 3H GLY 1 H3 GLY 1 3.863 -5.891 -6.303 4 1HA GLY 1 HA2 GLY 1 3.968 -3.031 -6.991 5 2HA GLY 1 HA3 GLY 1 2.883 -3.714 -5.775 6 H VAL 2 H VAL 2 3.990 -5.127 -4.123 7 HA VAL 2 HA VAL 2 5.053 -5.115 -2.176 8 HB VAL 2 HB VAL 2 7.507 -4.507 -3.835 9 1HG1 VAL 2 1HG1 VAL 2 8.737 -5.597 -1.957 10 2HG1 VAL 2 2HG1 VAL 2 7.968 -4.091 -1.448 11 3HG1 VAL 2 3HG1 VAL 2 7.231 -5.651 -1.021 12 1HG2 VAL 2 1HG2 VAL 2 6.293 -7.147 -2.932 13 2HG2 VAL 2 2HG2 VAL 2 6.384 -6.548 -4.603 14 3HG2 VAL 2 3HG2 VAL 2 7.866 -6.955 -3.731 15 H ARG 3 H ARG 3 6.735 -2.407 -3.766 16 HA ARG 3 HA ARG 3 5.362 -0.444 -2.205 17 1HB ARG 3 HB2 ARG 3 6.687 -0.970 -0.382 18 2HB ARG 3 HB3 ARG 3 8.165 -1.124 -1.311 19 1HG ARG 3 HG2 ARG 3 8.352 1.219 -1.642 20 2HG ARG 3 HG3 ARG 3 6.698 1.535 -1.076 21 1HD ARG 3 HD2 ARG 3 8.935 0.410 0.670 22 2HD ARG 3 HD3 ARG 3 8.463 2.120 0.605 23 HE ARG 3 HE ARG 3 6.135 0.602 1.101 24 1HH1 ARG 3 1HH1 ARG 3 9.155 1.457 2.776 25 2HH1 ARG 3 2HH1 ARG 3 8.438 1.370 4.359 26 1HH2 ARG 3 1HH2 ARG 3 5.229 0.453 3.167 27 2HH2 ARG 3 2HH2 ARG 3 6.182 0.775 4.590 28 H LYS 4 H LYS 4 8.637 -0.537 -3.699 29 HA LYS 4 HA LYS 4 7.915 1.838 -5.308 30 1HB LYS 4 HB2 LYS 4 10.416 0.163 -5.257 31 2HB LYS 4 HB3 LYS 4 10.179 1.616 -6.219 32 1HG LYS 4 HG2 LYS 4 9.951 1.732 -3.210 33 2HG LYS 4 HG3 LYS 4 11.471 1.928 -4.104 34 1HD LYS 4 HD2 LYS 4 10.318 3.735 -5.477 35 2HD LYS 4 HD3 LYS 4 8.981 3.661 -4.325 36 1HE LYS 4 HE2 LYS 4 10.536 4.182 -2.473 37 2HE LYS 4 HE3 LYS 4 11.892 4.200 -3.609 38 1HZ LYS 4 HZ1 LYS 4 9.604 6.036 -3.654 39 2HZ LYS 4 HZ2 LYS 4 11.130 6.386 -3.136 40 3HZ LYS 4 HZ3 LYS 4 10.860 6.040 -4.724 41 H GLY 5 H GLY 5 6.787 -1.227 -5.876 42 1HA GLY 5 HA2 GLY 5 5.981 -2.111 -7.841 43 2HA GLY 5 HA3 GLY 5 6.668 -0.778 -8.763 44 H TRP 6 H TRP 6 9.147 -0.805 -8.785 45 HA TRP 6 HA TRP 6 10.101 -3.116 -10.113 46 1HB TRP 6 HB2 TRP 6 12.243 -2.025 -10.134 47 2HB TRP 6 HB3 TRP 6 11.005 -0.810 -10.328 48 HD1 TRP 6 HD1 TRP 6 10.942 1.104 -8.603 49 HE1 TRP 6 HE1 TRP 6 12.439 1.855 -6.655 50 HE3 TRP 6 HE3 TRP 6 13.790 -3.126 -8.081 51 HZ2 TRP 6 HZ2 TRP 6 14.409 0.682 -4.947 52 HZ3 TRP 6 HZ3 TRP 6 15.509 -3.243 -6.284 53 HH2 TRP 6 HH2 TRP 6 15.793 -1.378 -4.704 54 H HIS 7 H HIS 7 10.145 -2.273 -6.729 55 HA HIS 7 HA HIS 7 11.800 -4.136 -5.506 56 1HB HIS 7 HB2 HIS 7 8.995 -3.125 -4.842 57 2HB HIS 7 HB3 HIS 7 9.891 -4.195 -3.755 58 HD2 HIS 7 HD2 HIS 7 12.658 -2.237 -4.764 59 HE1 HIS 7 HE1 HIS 7 10.908 0.091 -1.679 60 HE2 HIS 7 HE2 HIS 7 12.988 -0.252 -3.089 61 H GLU 8 H GLU 8 8.691 -4.827 -7.135 62 HA GLU 8 HA GLU 8 8.351 -7.446 -6.151 63 1HB GLU 8 HB2 GLU 8 6.721 -7.674 -7.834 64 2HB GLU 8 HB3 GLU 8 6.737 -5.960 -7.408 65 1HG GLU 8 HG2 GLU 8 8.384 -5.726 -9.468 66 2HG GLU 8 HG3 GLU 8 7.817 -7.350 -9.883 67 H HIS 9 H HIS 9 10.501 -6.205 -8.676 68 HA HIS 9 HA HIS 9 11.145 -8.823 -9.779 69 1HB HIS 9 HB2 HIS 9 12.692 -6.213 -10.047 70 2HB HIS 9 HB3 HIS 9 12.736 -7.618 -11.101 71 HD2 HIS 9 HD2 HIS 9 9.510 -7.928 -11.478 72 HE1 HIS 9 HE1 HIS 9 9.599 -3.908 -12.854 73 HE2 HIS 9 HE2 HIS 9 8.191 -6.024 -12.696 74 H VAL 10 H VAL 10 12.639 -6.396 -7.660 75 HA VAL 10 HA VAL 10 14.949 -8.138 -7.159 76 HB VAL 10 HB VAL 10 14.333 -5.368 -6.116 77 1HG1 VAL 10 1HG1 VAL 10 15.965 -6.724 -4.709 78 2HG1 VAL 10 2HG1 VAL 10 16.924 -6.993 -6.164 79 3HG1 VAL 10 3HG1 VAL 10 16.717 -5.351 -5.520 80 1HG2 VAL 10 1HG2 VAL 10 16.118 -4.775 -7.837 81 2HG2 VAL 10 2HG2 VAL 10 15.990 -6.421 -8.462 82 3HG2 VAL 10 3HG2 VAL 10 14.594 -5.332 -8.546 83 H THR 11 H THR 11 13.995 -9.878 -6.219 84 HA THR 11 HA THR 11 12.530 -9.782 -3.732 85 HB THR 11 HB THR 11 12.985 -12.318 -3.921 86 HG1 THR 11 HG1 THR 11 13.773 -12.851 -6.078 87 1HG2 THR 11 1HG2 THR 11 10.933 -11.244 -4.790 88 2HG2 THR 11 2HG2 THR 11 11.742 -10.939 -6.344 89 3HG2 THR 11 3HG2 THR 11 11.451 -12.607 -5.801 90 H GLN 12 H GLN 12 13.228 -10.901 -1.806 91 HA GLN 12 HA GLN 12 15.402 -9.775 -0.631 92 1HB GLN 12 HB2 GLN 12 13.547 -10.807 0.586 93 2HB GLN 12 HB3 GLN 12 14.101 -12.413 0.095 94 1HG GLN 12 HG2 GLN 12 14.757 -11.833 2.410 95 2HG GLN 12 HG3 GLN 12 16.147 -12.175 1.377 96 1HE2 GLN 12 2HE2 GLN 12 17.838 -10.856 2.199 97 2HE2 GLN 12 1HE2 GLN 12 17.616 -9.147 2.509 98 H ASP 13 H ASP 13 15.414 -12.930 -2.376 99 HA ASP 13 HA ASP 13 17.986 -13.750 -1.494 100 1HB ASP 13 HB2 ASP 13 16.672 -14.259 -4.216 101 2HB ASP 13 HB3 ASP 13 17.914 -15.238 -3.427 102 H LEU 14 H LEU 14 17.012 -11.706 -4.300 103 HA LEU 14 HA LEU 14 19.725 -11.396 -5.246 104 1HB LEU 14 HB2 LEU 14 17.936 -11.091 -6.795 105 2HB LEU 14 HB3 LEU 14 17.171 -9.855 -5.791 106 HG LEU 14 HG LEU 14 18.932 -8.286 -6.234 107 1HD1 LEU 14 1HD1 LEU 14 20.803 -8.707 -7.758 108 2HD1 LEU 14 2HD1 LEU 14 20.925 -9.796 -6.379 109 3HD1 LEU 14 3HD1 LEU 14 20.322 -10.403 -7.933 110 1HD2 LEU 14 1HD2 LEU 14 18.599 -7.947 -8.629 111 2HD2 LEU 14 2HD2 LEU 14 18.157 -9.654 -8.846 112 3HD2 LEU 14 3HD2 LEU 14 17.100 -8.577 -7.923 113 H ARG 15 H ARG 15 17.533 -9.454 -3.132 114 HA ARG 15 HA ARG 15 19.304 -7.324 -2.557 115 1HB ARG 15 HB2 ARG 15 17.468 -8.713 -0.578 116 2HB ARG 15 HB3 ARG 15 18.183 -7.122 -0.391 117 1HG ARG 15 HG2 ARG 15 16.922 -6.280 -2.350 118 2HG ARG 15 HG3 ARG 15 16.234 -7.884 -2.593 119 1HD ARG 15 HD2 ARG 15 15.646 -7.456 0.065 120 2HD ARG 15 HD3 ARG 15 15.544 -5.824 -0.576 121 HE ARG 15 HE ARG 15 14.059 -6.941 -2.411 122 1HH1 ARG 15 1HH2 ARG 15 14.046 -8.211 0.949 123 2HH1 ARG 15 2HH2 ARG 15 12.317 -8.349 0.969 124 1HH2 ARG 15 2HH1 ARG 15 11.835 -6.977 -2.238 125 2HH2 ARG 15 1HH1 ARG 15 11.053 -7.837 -0.930 126 H SER 16 H SER 16 19.112 -10.538 -1.041 127 HA SER 16 HA SER 16 21.125 -10.193 0.929 128 1HB SER 16 HB2 SER 16 20.095 -12.715 -0.413 129 2HB SER 16 HB3 SER 16 21.036 -12.680 1.064 130 HG SER 16 HG SER 16 18.486 -11.559 0.592 131 H HIS 17 H HIS 17 21.297 -11.573 -2.413 132 HA HIS 17 HA HIS 17 24.121 -12.105 -2.223 133 1HB HIS 17 HB2 HIS 17 22.365 -13.066 -3.841 134 2HB HIS 17 HB3 HIS 17 22.588 -11.600 -4.799 135 HD2 HIS 17 HD2 HIS 17 25.216 -11.278 -5.794 136 HE1 HIS 17 HE1 HIS 17 26.069 -15.444 -5.648 137 HE2 HIS 17 HE2 HIS 17 26.783 -13.216 -6.643 138 H LEU 18 H LEU 18 22.250 -9.226 -3.252 139 HA LEU 18 HA LEU 18 24.523 -7.720 -4.183 140 1HB LEU 18 HB2 LEU 18 21.774 -6.959 -3.163 141 2HB LEU 18 HB3 LEU 18 22.950 -5.741 -3.676 142 HG LEU 18 HG LEU 18 22.055 -8.042 -5.464 143 1HD1 LEU 18 1HD1 LEU 18 20.519 -6.389 -6.507 144 2HD1 LEU 18 2HD1 LEU 18 20.087 -6.681 -4.809 145 3HD1 LEU 18 3HD1 LEU 18 20.975 -5.208 -5.258 146 1HD2 LEU 18 1HD2 LEU 18 23.303 -5.336 -6.060 147 2HD2 LEU 18 2HD2 LEU 18 24.138 -6.899 -6.199 148 3HD2 LEU 18 3HD2 LEU 18 22.781 -6.528 -7.271 149 H VAL 19 H VAL 19 22.897 -7.895 -0.979 150 HA VAL 19 HA VAL 19 24.672 -6.241 0.486 151 HB VAL 19 HB VAL 19 23.016 -8.674 1.175 152 1HG1 VAL 19 1HG1 VAL 19 23.424 -8.351 3.527 153 2HG1 VAL 19 2HG1 VAL 19 24.948 -8.752 2.746 154 3HG1 VAL 19 3HG1 VAL 19 24.596 -7.068 3.201 155 1HG2 VAL 19 1HG2 VAL 19 22.842 -5.755 2.015 156 2HG2 VAL 19 2HG2 VAL 19 21.895 -6.502 0.720 157 3HG2 VAL 19 3HG2 VAL 19 21.667 -7.044 2.381 158 H HIS 20 H HIS 20 24.915 -9.754 -0.308 159 HA HIS 20 HA HIS 20 27.448 -10.175 0.799 160 1HB HIS 20 HB2 HIS 20 25.897 -11.893 -0.286 161 2HB HIS 20 HB3 HIS 20 26.628 -11.443 -1.829 162 HD2 HIS 20 HD2 HIS 20 27.452 -13.065 1.499 163 HE1 HIS 20 HE1 HIS 20 30.641 -14.030 -1.147 164 HE2 HIS 20 HE2 HIS 20 29.670 -14.463 1.164 165 H LYS 21 H LYS 21 26.703 -8.988 -2.560 166 HA LYS 21 HA LYS 21 29.416 -8.622 -3.264 167 1HB LYS 21 HB2 LYS 21 27.000 -7.019 -4.188 168 2HB LYS 21 HB3 LYS 21 28.610 -6.876 -4.881 169 1HG LYS 21 HG2 LYS 21 26.827 -9.324 -5.002 170 2HG LYS 21 HG3 LYS 21 27.211 -8.204 -6.283 171 1HD LYS 21 HD2 LYS 21 28.955 -9.401 -6.897 172 2HD LYS 21 HD3 LYS 21 29.777 -9.035 -5.397 173 1HE LYS 21 HE2 LYS 21 27.897 -11.372 -5.927 174 2HE LYS 21 HE3 LYS 21 29.661 -11.477 -5.817 175 1HZ LYS 21 HZ1 LYS 21 27.809 -10.750 -3.656 176 2HZ LYS 21 HZ2 LYS 21 28.628 -12.169 -3.793 177 3HZ LYS 21 HZ3 LYS 21 29.449 -10.773 -3.517 178 H LEU 22 H LEU 22 27.258 -6.362 -1.479 179 HA LEU 22 HA LEU 22 29.137 -4.210 -1.363 180 1HB LEU 22 HB2 LEU 22 27.248 -5.082 0.854 181 2HB LEU 22 HB3 LEU 22 28.096 -3.552 0.741 182 HG LEU 22 HG LEU 22 25.877 -4.536 -1.079 183 1HD1 LEU 22 1HD1 LEU 22 24.660 -2.607 -0.127 184 2HD1 LEU 22 2HD1 LEU 22 25.163 -3.733 1.143 185 3HD1 LEU 22 3HD1 LEU 22 26.068 -2.225 0.886 186 1HD2 LEU 22 1HD2 LEU 22 27.434 -3.297 -2.435 187 2HD2 LEU 22 2HD2 LEU 22 26.043 -2.264 -2.130 188 3HD2 LEU 22 3HD2 LEU 22 27.545 -1.992 -1.223 189 H VAL 23 H VAL 23 28.733 -7.006 0.868 190 HA VAL 23 HA VAL 23 30.990 -6.385 2.459 191 HB VAL 23 HB VAL 23 29.955 -9.167 1.806 192 1HG1 VAL 23 1HG1 VAL 23 32.232 -9.263 2.760 193 2HG1 VAL 23 2HG1 VAL 23 31.758 -8.141 4.045 194 3HG1 VAL 23 3HG1 VAL 23 31.055 -9.767 3.972 195 1HG2 VAL 23 1HG2 VAL 23 28.756 -8.984 3.944 196 2HG2 VAL 23 2HG2 VAL 23 29.324 -7.316 4.150 197 3HG2 VAL 23 3HG2 VAL 23 28.204 -7.726 2.839 198 H GLN 24 H GLN 24 30.861 -8.538 -0.453 199 HA GLN 24 HA GLN 24 33.605 -9.132 -0.491 200 1HB GLN 24 HB2 GLN 24 31.747 -8.836 -2.893 201 2HB GLN 24 HB3 GLN 24 33.307 -9.657 -2.897 202 1HG GLN 24 HG2 GLN 24 30.824 -10.588 -1.380 203 2HG GLN 24 HG3 GLN 24 31.487 -11.260 -2.860 204 1HE2 GLN 24 2HE2 GLN 24 32.657 -13.148 -2.521 205 2HE2 GLN 24 1HE2 GLN 24 33.636 -13.439 -1.071 206 H ALA 25 H ALA 25 31.995 -6.391 -2.122 207 HA ALA 25 HA ALA 25 34.332 -5.445 -3.423 208 1HB ALA 25 HB1 ALA 25 32.047 -4.768 -4.039 209 2HB ALA 25 HB2 ALA 25 31.879 -3.891 -2.500 210 3HB ALA 25 HB3 ALA 25 33.088 -3.372 -3.700 211 H ILE 26 H ILE 26 32.963 -4.665 -0.196 212 HA ILE 26 HA ILE 26 35.007 -2.680 0.414 213 HB ILE 26 HB ILE 26 32.985 -4.168 2.133 214 1HG1 ILE 26 2HG1 ILE 26 32.775 -1.343 1.016 215 2HG1 ILE 26 3HG1 ILE 26 32.062 -2.719 0.196 216 1HG2 ILE 26 1HG2 ILE 26 34.769 -3.184 3.540 217 2HG2 ILE 26 2HG2 ILE 26 34.564 -1.626 2.711 218 3HG2 ILE 26 3HG2 ILE 26 33.283 -2.279 3.744 219 1HD1 ILE 26 1HD1 ILE 26 31.282 -1.731 2.953 220 2HD1 ILE 26 2HD1 ILE 26 30.316 -1.772 1.472 221 3HD1 ILE 26 3HD1 ILE 26 30.767 -3.292 2.269 222 H PHE 27 H PHE 27 34.566 -6.129 0.917 223 HA PHE 27 HA PHE 27 37.191 -6.519 2.196 224 1HB PHE 27 HB2 PHE 27 35.348 -5.797 3.829 225 2HB PHE 27 HB3 PHE 27 34.582 -7.336 3.525 226 HD1 PHE 27 HD1 PHE 27 36.308 -5.662 5.902 227 HD2 PHE 27 HD2 PHE 27 36.494 -9.416 3.763 228 HE1 PHE 27 HE1 PHE 27 37.373 -6.725 7.842 229 HE2 PHE 27 HE2 PHE 27 37.602 -10.444 5.675 230 HZ PHE 27 HZ PHE 27 38.106 -9.107 7.727 231 HA PRO 28 HA PRO 28 35.780 -9.734 -0.860 232 1HB PRO 28 HB2 PRO 28 38.233 -10.653 -1.660 233 2HB PRO 28 HB3 PRO 28 37.457 -9.167 -2.280 234 1HG PRO 28 HG2 PRO 28 39.510 -9.376 -0.066 235 2HG PRO 28 HG3 PRO 28 39.537 -8.281 -1.481 236 1HD PRO 28 HD2 PRO 28 38.658 -7.432 0.906 237 2HD PRO 28 HD3 PRO 28 37.760 -6.948 -0.566 238 H THR 29 H THR 29 34.782 -11.166 0.523 239 HA THR 29 HA THR 29 36.343 -12.507 2.573 240 HB THR 29 HB THR 29 33.365 -12.549 2.019 241 HG1 THR 29 HG1 THR 29 34.386 -10.450 2.480 242 1HG2 THR 29 1HG2 THR 29 33.129 -13.208 4.327 243 2HG2 THR 29 2HG2 THR 29 34.097 -14.405 3.463 244 3HG2 THR 29 3HG2 THR 29 34.885 -13.227 4.554 245 HA PRO 30 HA PRO 30 36.924 -16.055 0.002 246 1HB PRO 30 HB2 PRO 30 37.345 -18.026 1.971 247 2HB PRO 30 HB3 PRO 30 38.559 -16.862 1.354 248 1HG PRO 30 HG2 PRO 30 36.848 -16.698 3.834 249 2HG PRO 30 HG3 PRO 30 38.580 -16.293 3.658 250 1HD PRO 30 HD2 PRO 30 36.696 -14.384 3.688 251 2HD PRO 30 HD3 PRO 30 38.070 -14.249 2.553 252 H ASP 31 H ASP 31 34.724 -16.740 2.807 253 HA ASP 31 HA ASP 31 33.031 -18.393 1.006 254 1HB ASP 31 HB2 ASP 31 34.816 -19.775 2.173 255 2HB ASP 31 HB3 ASP 31 34.102 -19.303 3.713 256 HA PRO 32 HA PRO 32 29.696 -16.331 3.283 257 1HB PRO 32 HB2 PRO 32 28.590 -19.152 3.117 258 2HB PRO 32 HB3 PRO 32 27.702 -17.605 2.975 259 1HG PRO 32 HG2 PRO 32 28.440 -18.895 0.720 260 2HG PRO 32 HG3 PRO 32 28.755 -17.138 0.849 261 1HD PRO 32 HD2 PRO 32 30.689 -19.420 1.250 262 2HD PRO 32 HD3 PRO 32 30.930 -17.870 0.393 263 H ALA 33 H ALA 33 30.808 -19.601 4.384 264 HA ALA 33 HA ALA 33 29.890 -19.480 7.030 265 1HB ALA 33 HB1 ALA 33 32.468 -20.722 5.981 266 2HB ALA 33 HB2 ALA 33 31.651 -21.131 7.502 267 3HB ALA 33 HB3 ALA 33 30.861 -21.483 5.951 268 H ALA 34 H ALA 34 32.691 -17.885 5.565 269 HA ALA 34 HA ALA 34 34.111 -17.268 7.970 270 1HB ALA 34 HB1 ALA 34 35.030 -17.192 5.598 271 2HB ALA 34 HB2 ALA 34 34.110 -15.692 5.377 272 3HB ALA 34 HB3 ALA 34 35.387 -15.762 6.597 273 H LEU 35 H LEU 35 31.181 -15.931 6.536 274 HA LEU 35 HA LEU 35 31.301 -13.336 7.691 275 1HB LEU 35 HB2 LEU 35 28.863 -14.998 6.997 276 2HB LEU 35 HB3 LEU 35 28.878 -13.264 7.287 277 HG LEU 35 HG LEU 35 30.414 -14.599 5.005 278 1HD1 LEU 35 1HD1 LEU 35 27.958 -14.858 4.759 279 2HD1 LEU 35 2HD1 LEU 35 27.764 -13.101 4.947 280 3HD1 LEU 35 3HD1 LEU 35 28.646 -13.758 3.552 281 1HD2 LEU 35 1HD2 LEU 35 29.781 -11.672 5.555 282 2HD2 LEU 35 2HD2 LEU 35 31.380 -12.429 5.660 283 3HD2 LEU 35 3HD2 LEU 35 30.561 -12.316 4.098 284 H LYS 36 H LYS 36 30.898 -16.415 9.256 285 HA LYS 36 HA LYS 36 29.357 -15.524 11.498 286 1HB LYS 36 HB2 LYS 36 31.378 -17.748 11.136 287 2HB LYS 36 HB3 LYS 36 30.393 -17.524 12.587 288 1HG LYS 36 HG2 LYS 36 28.321 -17.647 11.227 289 2HG LYS 36 HG3 LYS 36 29.287 -18.014 9.796 290 1HD LYS 36 HD2 LYS 36 29.218 -19.690 12.352 291 2HD LYS 36 HD3 LYS 36 28.273 -20.019 10.892 292 1HE LYS 36 HE2 LYS 36 30.384 -20.248 9.580 293 2HE LYS 36 HE3 LYS 36 31.324 -20.016 11.065 294 1HZ LYS 36 HZ1 LYS 36 29.419 -22.187 10.558 295 2HZ LYS 36 HZ2 LYS 36 31.062 -22.306 10.560 296 3HZ LYS 36 HZ3 LYS 36 30.261 -21.961 11.958 297 H ASP 37 H ASP 37 32.583 -14.662 10.560 298 HA ASP 37 HA ASP 37 33.718 -14.198 13.165 299 1HB ASP 37 HB2 ASP 37 35.081 -14.352 11.178 300 2HB ASP 37 HB3 ASP 37 34.193 -13.045 10.402 301 H ARG 38 H ARG 38 33.819 -12.245 14.396 302 HA ARG 38 HA ARG 38 31.406 -10.791 14.576 303 1HB ARG 38 HB2 ARG 38 34.129 -9.972 15.648 304 2HB ARG 38 HB3 ARG 38 32.572 -9.401 16.240 305 1HG ARG 38 HG2 ARG 38 33.510 -12.304 16.434 306 2HG ARG 38 HG3 ARG 38 33.785 -11.085 17.657 307 1HD ARG 38 HD2 ARG 38 31.865 -12.479 18.273 308 2HD ARG 38 HD3 ARG 38 31.444 -10.777 18.094 309 HE ARG 38 HE ARG 38 29.916 -11.350 16.540 310 1HH1 ARG 38 1HH2 ARG 38 32.266 -14.033 16.597 311 2HH1 ARG 38 2HH2 ARG 38 31.614 -14.722 15.108 312 1HH2 ARG 38 1HH1 ARG 38 29.045 -12.429 14.688 313 2HH2 ARG 38 2HH1 ARG 38 29.872 -13.866 14.100 314 H ARG 39 H ARG 39 34.485 -9.761 13.096 315 HA ARG 39 HA ARG 39 33.743 -7.037 12.579 316 1HB ARG 39 HB2 ARG 39 35.546 -8.884 10.953 317 2HB ARG 39 HB3 ARG 39 35.488 -7.132 10.838 318 1HG ARG 39 HG2 ARG 39 36.443 -6.818 12.996 319 2HG ARG 39 HG3 ARG 39 36.244 -8.515 13.451 320 1HD ARG 39 HD2 ARG 39 37.980 -7.614 11.118 321 2HD ARG 39 HD3 ARG 39 38.593 -7.914 12.757 322 HE ARG 39 HE ARG 39 37.148 -10.197 12.092 323 1HH1 ARG 39 1HH2 ARG 39 39.937 -8.517 10.609 324 2HH1 ARG 39 2HH2 ARG 39 40.732 -10.005 10.193 325 1HH2 ARG 39 1HH1 ARG 39 38.193 -12.098 11.520 326 2HH2 ARG 39 2HH1 ARG 39 39.698 -12.067 10.633 327 H MET 40 H MET 40 33.465 -10.101 10.747 328 HA MET 40 HA MET 40 32.282 -8.913 8.453 329 1HB MET 40 HB2 MET 40 32.118 -11.799 9.429 330 2HB MET 40 HB3 MET 40 31.729 -11.176 7.819 331 1HG MET 40 HG2 MET 40 34.461 -11.264 9.139 332 2HG MET 40 HG3 MET 40 33.900 -12.149 7.713 333 1HE MET 40 HE1 MET 40 33.272 -10.907 5.475 334 2HE MET 40 HE2 MET 40 32.407 -9.528 6.189 335 3HE MET 40 HE3 MET 40 33.766 -9.243 5.079 336 H GLU 41 H GLU 41 30.767 -10.639 11.244 337 HA GLU 41 HA GLU 41 28.135 -10.357 10.413 338 1HB GLU 41 HB2 GLU 41 28.909 -11.648 12.375 339 2HB GLU 41 HB3 GLU 41 29.220 -10.141 13.255 340 1HG GLU 41 HG2 GLU 41 27.099 -11.111 13.974 341 2HG GLU 41 HG3 GLU 41 26.779 -9.592 13.136 342 H ASN 42 H ASN 42 30.156 -7.977 12.119 343 HA ASN 42 HA ASN 42 28.134 -5.922 12.299 344 1HB ASN 42 HB2 ASN 42 31.167 -5.854 12.395 345 2HB ASN 42 HB3 ASN 42 30.205 -4.375 12.361 346 1HD2 ASN 42 2HD2 ASN 42 30.699 -7.404 14.243 347 2HD2 ASN 42 1HD2 ASN 42 30.089 -6.712 15.744 348 H LEU 43 H LEU 43 30.668 -6.527 9.802 349 HA LEU 43 HA LEU 43 29.930 -4.293 8.200 350 1HB LEU 43 HB2 LEU 43 32.090 -5.415 8.052 351 2HB LEU 43 HB3 LEU 43 31.319 -6.891 7.459 352 HG LEU 43 HG LEU 43 30.670 -5.796 5.382 353 1HD1 LEU 43 1HD1 LEU 43 31.947 -3.280 6.549 354 2HD1 LEU 43 2HD1 LEU 43 31.479 -3.498 4.850 355 3HD1 LEU 43 3HD1 LEU 43 30.237 -3.484 6.099 356 1HD2 LEU 43 1HD2 LEU 43 33.569 -5.158 6.064 357 2HD2 LEU 43 2HD2 LEU 43 32.963 -6.768 5.627 358 3HD2 LEU 43 3HD2 LEU 43 32.890 -5.443 4.446 359 H VAL 44 H VAL 44 28.766 -7.610 8.299 360 HA VAL 44 HA VAL 44 27.060 -7.620 6.006 361 HB VAL 44 HB VAL 44 27.208 -9.191 8.583 362 1HG1 VAL 44 1HG1 VAL 44 25.618 -10.822 7.544 363 2HG1 VAL 44 2HG1 VAL 44 24.864 -9.303 8.021 364 3HG1 VAL 44 3HG1 VAL 44 25.233 -9.605 6.305 365 1HG2 VAL 44 1HG2 VAL 44 28.951 -9.487 6.692 366 2HG2 VAL 44 2HG2 VAL 44 28.116 -10.932 7.277 367 3HG2 VAL 44 3HG2 VAL 44 27.622 -10.174 5.746 368 H ALA 45 H ALA 45 26.450 -6.943 9.522 369 HA ALA 45 HA ALA 45 23.747 -6.186 9.262 370 1HB ALA 45 HB1 ALA 45 24.059 -4.947 11.343 371 2HB ALA 45 HB2 ALA 45 24.861 -6.528 11.420 372 3HB ALA 45 HB3 ALA 45 25.820 -5.054 11.183 373 H TYR 46 H TYR 46 26.679 -4.109 9.031 374 HA TYR 46 HA TYR 46 25.358 -1.706 8.363 375 1HB TYR 46 HB2 TYR 46 27.747 -1.829 8.921 376 2HB TYR 46 HB3 TYR 46 28.084 -2.704 7.433 377 HD1 TYR 46 HD1 TYR 46 26.956 0.563 8.819 378 HD2 TYR 46 HD2 TYR 46 28.243 -1.558 5.292 379 HE1 TYR 46 HE1 TYR 46 27.063 2.698 7.575 380 HE2 TYR 46 HE2 TYR 46 28.309 0.579 4.037 381 HH TYR 46 HH TYR 46 27.566 3.714 5.589 382 H ALA 47 H ALA 47 26.624 -4.234 6.142 383 HA ALA 47 HA ALA 47 25.865 -2.994 3.735 384 1HB ALA 47 HB1 ALA 47 26.049 -5.298 2.787 385 2HB ALA 47 HB2 ALA 47 27.437 -4.821 3.783 386 3HB ALA 47 HB3 ALA 47 26.218 -5.931 4.436 387 H LYS 48 H LYS 48 24.022 -5.356 5.737 388 HA LYS 48 HA LYS 48 21.686 -5.489 4.123 389 1HB LYS 48 HB2 LYS 48 22.136 -5.770 7.108 390 2HB LYS 48 HB3 LYS 48 20.543 -5.992 6.351 391 1HG LYS 48 HG2 LYS 48 21.558 -7.712 4.834 392 2HG LYS 48 HG3 LYS 48 23.053 -7.609 5.769 393 1HD LYS 48 HD2 LYS 48 20.302 -8.534 6.748 394 2HD LYS 48 HD3 LYS 48 21.718 -9.530 6.417 395 1HE LYS 48 HE2 LYS 48 21.792 -9.385 8.724 396 2HE LYS 48 HE3 LYS 48 22.923 -8.114 8.242 397 1HZ LYS 48 HZ1 LYS 48 21.148 -6.530 8.602 398 2HZ LYS 48 HZ2 LYS 48 20.104 -7.738 9.000 399 3HZ LYS 48 HZ3 LYS 48 21.407 -7.425 9.958 400 H LYS 49 H LYS 49 22.427 -3.342 6.911 401 HA LYS 49 HA LYS 49 20.081 -1.811 6.899 402 1HB LYS 49 HB2 LYS 49 21.923 -1.777 8.584 403 2HB LYS 49 HB3 LYS 49 22.910 -0.872 7.451 404 1HG LYS 49 HG2 LYS 49 21.194 0.945 7.446 405 2HG LYS 49 HG3 LYS 49 20.235 0.027 8.604 406 1HD LYS 49 HD2 LYS 49 21.558 1.822 9.679 407 2HD LYS 49 HD3 LYS 49 21.962 0.217 10.292 408 1HE LYS 49 HE2 LYS 49 23.944 1.728 9.921 409 2HE LYS 49 HE3 LYS 49 24.055 0.175 9.094 410 1HZ LYS 49 HZ1 LYS 49 23.229 2.708 7.852 411 2HZ LYS 49 HZ2 LYS 49 24.704 1.987 7.691 412 3HZ LYS 49 HZ3 LYS 49 23.361 1.257 7.081 413 H VAL 50 H VAL 50 23.166 -1.062 5.277 414 HA VAL 50 HA VAL 50 22.175 1.258 4.019 415 HB VAL 50 HB VAL 50 24.671 0.222 4.392 416 1HG1 VAL 50 1HG1 VAL 50 24.590 -1.234 2.402 417 2HG1 VAL 50 2HG1 VAL 50 24.303 0.194 1.371 418 3HG1 VAL 50 3HG1 VAL 50 25.818 0.038 2.272 419 1HG2 VAL 50 1HG2 VAL 50 25.479 2.213 3.267 420 2HG2 VAL 50 2HG2 VAL 50 23.885 2.462 2.516 421 3HG2 VAL 50 3HG2 VAL 50 24.075 2.571 4.282 422 H GLU 51 H GLU 51 22.431 -2.104 2.670 423 HA GLU 51 HA GLU 51 21.374 -1.471 0.145 424 1HB GLU 51 HB2 GLU 51 22.453 -3.574 0.665 425 2HB GLU 51 HB3 GLU 51 21.151 -4.014 1.775 426 1HG GLU 51 HG2 GLU 51 20.594 -3.358 -1.154 427 2HG GLU 51 HG3 GLU 51 21.157 -4.959 -0.698 428 H GLY 52 H GLY 52 19.649 -2.302 3.198 429 1HA GLY 52 HA2 GLY 52 16.998 -2.145 2.242 430 2HA GLY 52 HA3 GLY 52 17.537 -1.715 3.877 431 H ASP 53 H ASP 53 19.095 0.459 3.575 432 HA ASP 53 HA ASP 53 17.327 2.617 3.255 433 1HB ASP 53 HB2 ASP 53 19.465 2.758 4.478 434 2HB ASP 53 HB3 ASP 53 20.352 2.660 2.947 435 H MET 54 H MET 54 19.749 1.370 0.895 436 HA MET 54 HA MET 54 19.046 3.172 -1.198 437 1HB MET 54 HB2 MET 54 20.180 0.355 -1.413 438 2HB MET 54 HB3 MET 54 20.090 1.541 -2.706 439 1HG MET 54 HG2 MET 54 21.859 1.539 -0.276 440 2HG MET 54 HG3 MET 54 22.263 1.783 -1.964 441 1HE MET 54 HE1 MET 54 23.611 3.364 0.266 442 2HE MET 54 HE2 MET 54 23.878 3.526 -1.494 443 3HE MET 54 HE3 MET 54 23.636 4.985 -0.487 444 H TYR 55 H TYR 55 17.768 -0.081 -0.423 445 HA TYR 55 HA TYR 55 16.081 -0.412 -2.620 446 1HB TYR 55 HB2 TYR 55 16.654 -2.033 -0.710 447 2HB TYR 55 HB3 TYR 55 15.367 -1.271 0.208 448 HD1 TYR 55 HD1 TYR 55 13.117 -2.081 -0.062 449 HD2 TYR 55 HD2 TYR 55 16.153 -3.138 -2.928 450 HE1 TYR 55 HE1 TYR 55 11.623 -3.812 -1.024 451 HE2 TYR 55 HE2 TYR 55 14.659 -4.843 -3.889 452 HH TYR 55 HH TYR 55 12.604 -5.898 -3.782 453 H GLU 56 H GLU 56 15.359 1.213 0.523 454 HA GLU 56 HA GLU 56 12.741 2.086 -0.292 455 1HB GLU 56 HB2 GLU 56 14.650 3.091 1.854 456 2HB GLU 56 HB3 GLU 56 12.944 3.529 1.719 457 1HG GLU 56 HG2 GLU 56 13.983 0.698 2.151 458 2HG GLU 56 HG3 GLU 56 13.305 1.742 3.385 459 H SER 57 H SER 57 15.942 3.690 -0.403 460 HA SER 57 HA SER 57 14.903 6.254 -1.124 461 1HB SER 57 HB2 SER 57 17.657 5.064 -1.663 462 2HB SER 57 HB3 SER 57 17.225 6.781 -1.718 463 HG SER 57 HG SER 57 17.162 5.056 0.543 464 H ALA 58 H ALA 58 15.938 3.483 -3.094 465 HA ALA 58 HA ALA 58 16.268 4.955 -5.495 466 1HB ALA 58 HB1 ALA 58 16.112 2.014 -4.886 467 2HB ALA 58 HB2 ALA 58 16.450 2.681 -6.497 468 3HB ALA 58 HB3 ALA 58 17.536 3.031 -5.133 469 H ASN 59 H ASN 59 14.656 5.977 -6.423 470 HA ASN 59 HA ASN 59 11.986 5.331 -6.776 471 1HB ASN 59 HB2 ASN 59 12.145 6.660 -8.917 472 2HB ASN 59 HB3 ASN 59 12.725 7.454 -7.453 473 1HD2 ASN 59 2HD2 ASN 59 14.727 8.441 -7.569 474 2HD2 ASN 59 1HD2 ASN 59 15.971 8.018 -8.733 475 H SER 60 H SER 60 14.617 4.310 -9.026 476 HA SER 60 HA SER 60 12.892 2.020 -9.963 477 1HB SER 60 HB2 SER 60 13.192 3.608 -11.757 478 2HB SER 60 HB3 SER 60 14.930 3.734 -11.438 479 HG SER 60 HG SER 60 14.510 2.266 -13.175 480 H ARG 61 H ARG 61 14.079 0.209 -10.719 481 HA ARG 61 HA ARG 61 16.037 -0.893 -8.948 482 1HB ARG 61 HB2 ARG 61 14.479 -2.191 -10.374 483 2HB ARG 61 HB3 ARG 61 15.334 -1.632 -11.823 484 1HG ARG 61 HG2 ARG 61 17.400 -2.751 -11.019 485 2HG ARG 61 HG3 ARG 61 16.559 -3.238 -9.535 486 1HD ARG 61 HD2 ARG 61 14.914 -4.481 -10.942 487 2HD ARG 61 HD3 ARG 61 15.846 -4.018 -12.377 488 HE ARG 61 HE ARG 61 17.459 -5.310 -10.328 489 1HH1 ARG 61 2HH2 ARG 61 15.269 -6.037 -13.007 490 2HH1 ARG 61 1HH2 ARG 61 16.245 -7.348 -13.621 491 1HH2 ARG 61 1HH1 ARG 61 18.788 -6.939 -11.192 492 2HH2 ARG 61 2HH1 ARG 61 18.253 -7.855 -12.582 493 H ASP 62 H ASP 62 16.132 0.861 -12.019 494 HA ASP 62 HA ASP 62 18.898 0.675 -12.657 495 1HB ASP 62 HB2 ASP 62 17.104 3.099 -13.047 496 2HB ASP 62 HB3 ASP 62 18.599 2.739 -13.914 497 H GLU 63 H GLU 63 17.146 3.058 -10.672 498 HA GLU 63 HA GLU 63 19.382 4.629 -9.868 499 1HB GLU 63 HB2 GLU 63 16.989 5.320 -9.728 500 2HB GLU 63 HB3 GLU 63 16.736 4.148 -8.425 501 1HG GLU 63 HG2 GLU 63 16.978 6.205 -7.355 502 2HG GLU 63 HG3 GLU 63 18.512 5.389 -7.088 503 H TYR 64 H TYR 64 17.661 1.889 -8.309 504 HA TYR 64 HA TYR 64 19.172 1.633 -5.975 505 1HB TYR 64 HB2 TYR 64 17.145 0.418 -6.337 506 2HB TYR 64 HB3 TYR 64 17.816 -0.413 -7.716 507 HD1 TYR 64 HD1 TYR 64 18.339 -0.039 -4.016 508 HD2 TYR 64 HD2 TYR 64 18.673 -2.545 -7.511 509 HE1 TYR 64 HE1 TYR 64 18.551 -2.035 -2.565 510 HE2 TYR 64 HE2 TYR 64 18.847 -4.532 -6.069 511 HH TYR 64 HH TYR 64 18.522 -4.355 -2.521 512 H TYR 65 H TYR 65 19.854 -0.012 -9.131 513 HA TYR 65 HA TYR 65 22.342 -1.118 -8.276 514 1HB TYR 65 HB2 TYR 65 21.247 -0.317 -10.994 515 2HB TYR 65 HB3 TYR 65 22.902 -0.884 -10.811 516 HD1 TYR 65 HD1 TYR 65 19.776 -2.056 -11.725 517 HD2 TYR 65 HD2 TYR 65 23.178 -3.071 -9.291 518 HE1 TYR 65 HE1 TYR 65 19.186 -4.455 -11.879 519 HE2 TYR 65 HE2 TYR 65 22.576 -5.439 -9.397 520 HH TYR 65 HH TYR 65 20.924 -6.941 -9.968 521 H HIS 66 H HIS 66 21.673 2.029 -9.912 522 HA HIS 66 HA HIS 66 24.356 2.828 -10.054 523 1HB HIS 66 HB2 HIS 66 22.633 4.006 -11.271 524 2HB HIS 66 HB3 HIS 66 21.912 4.593 -9.763 525 HD2 HIS 66 HD2 HIS 66 23.054 6.646 -8.553 526 HE1 HIS 66 HE1 HIS 66 26.672 6.826 -10.779 527 HE2 HIS 66 HE2 HIS 66 25.345 7.881 -8.882 528 H LEU 67 H LEU 67 22.029 3.893 -7.449 529 HA LEU 67 HA LEU 67 24.206 5.160 -6.118 530 1HB LEU 67 HB2 LEU 67 22.735 5.495 -4.161 531 2HB LEU 67 HB3 LEU 67 22.351 6.289 -5.681 532 HG LEU 67 HG LEU 67 20.489 4.878 -6.095 533 1HD1 LEU 67 1HD1 LEU 67 21.208 2.735 -5.315 534 2HD1 LEU 67 2HD1 LEU 67 21.438 3.323 -3.667 535 3HD1 LEU 67 3HD1 LEU 67 19.798 3.167 -4.337 536 1HD2 LEU 67 1HD2 LEU 67 20.457 5.693 -3.168 537 2HD2 LEU 67 2HD2 LEU 67 20.160 6.783 -4.543 538 3HD2 LEU 67 3HD2 LEU 67 19.046 5.441 -4.215 539 H LEU 68 H LEU 68 23.075 1.814 -5.878 540 HA LEU 68 HA LEU 68 24.648 1.293 -3.505 541 1HB LEU 68 HB2 LEU 68 23.604 -0.476 -5.741 542 2HB LEU 68 HB3 LEU 68 24.706 -1.111 -4.520 543 HG LEU 68 HG LEU 68 22.096 0.252 -3.782 544 1HD1 LEU 68 1HD1 LEU 68 21.543 -1.751 -5.062 545 2HD1 LEU 68 2HD1 LEU 68 22.728 -2.713 -4.148 546 3HD1 LEU 68 3HD1 LEU 68 21.296 -2.072 -3.327 547 1HD2 LEU 68 1HD2 LEU 68 23.912 0.047 -1.951 548 2HD2 LEU 68 2HD2 LEU 68 22.428 -0.843 -1.637 549 3HD2 LEU 68 3HD2 LEU 68 23.853 -1.703 -2.223 550 H ALA 69 H ALA 69 25.389 0.882 -7.021 551 HA ALA 69 HA ALA 69 28.086 0.064 -6.656 552 1HB ALA 69 HB1 ALA 69 26.885 -0.086 -8.795 553 2HB ALA 69 HB2 ALA 69 26.833 1.686 -8.917 554 3HB ALA 69 HB3 ALA 69 28.391 0.832 -8.984 555 H GLU 70 H GLU 70 26.721 3.358 -7.021 556 HA GLU 70 HA GLU 70 29.119 4.829 -6.754 557 1HB GLU 70 HB2 GLU 70 26.982 5.794 -7.454 558 2HB GLU 70 HB3 GLU 70 26.310 5.511 -5.838 559 1HG GLU 70 HG2 GLU 70 27.849 7.088 -4.826 560 2HG GLU 70 HG3 GLU 70 28.678 7.361 -6.361 561 H LYS 71 H LYS 71 26.812 3.722 -4.153 562 HA LYS 71 HA LYS 71 28.221 4.811 -2.012 563 1HB LYS 71 HB2 LYS 71 25.999 3.961 -1.856 564 2HB LYS 71 HB3 LYS 71 26.531 2.299 -2.137 565 1HG LYS 71 HG2 LYS 71 26.004 2.750 0.203 566 2HG LYS 71 HG3 LYS 71 27.691 2.272 0.006 567 1HD LYS 71 HD2 LYS 71 28.481 4.481 0.342 568 2HD LYS 71 HD3 LYS 71 26.869 5.194 0.096 569 1HE LYS 71 HE2 LYS 71 26.070 4.285 2.197 570 2HE LYS 71 HE3 LYS 71 27.571 3.367 2.431 571 1HZ LYS 71 HZ1 LYS 71 27.357 6.292 2.362 572 2HZ LYS 71 HZ2 LYS 71 27.545 5.361 3.709 573 3HZ LYS 71 HZ3 LYS 71 28.745 5.429 2.584 574 H ILE 72 H ILE 72 28.577 1.529 -3.474 575 HA ILE 72 HA ILE 72 30.736 0.593 -1.892 576 HB ILE 72 HB ILE 72 30.147 0.174 -4.845 577 1HG1 ILE 72 2HG1 ILE 72 29.658 -1.676 -2.492 578 2HG1 ILE 72 3HG1 ILE 72 28.420 -0.661 -3.264 579 1HG2 ILE 72 1HG2 ILE 72 31.667 -1.771 -4.701 580 2HG2 ILE 72 2HG2 ILE 72 32.495 -0.243 -4.507 581 3HG2 ILE 72 3HG2 ILE 72 32.177 -1.232 -3.072 582 1HD1 ILE 72 1HD1 ILE 72 28.114 -2.663 -4.370 583 2HD1 ILE 72 2HD1 ILE 72 29.162 -1.803 -5.492 584 3HD1 ILE 72 3HD1 ILE 72 29.837 -3.060 -4.425 585 H TYR 73 H TYR 73 30.837 2.412 -4.972 586 HA TYR 73 HA TYR 73 33.571 2.681 -5.313 587 1HB TYR 73 HB2 TYR 73 31.540 3.323 -6.748 588 2HB TYR 73 HB3 TYR 73 31.602 4.884 -5.949 589 HD1 TYR 73 HD1 TYR 73 31.867 3.964 -8.971 590 HD2 TYR 73 HD2 TYR 73 34.749 5.113 -5.969 591 HE1 TYR 73 HE1 TYR 73 33.049 5.332 -10.619 592 HE2 TYR 73 HE2 TYR 73 35.981 6.406 -7.639 593 HH TYR 73 HH TYR 73 35.855 7.396 -9.748 594 H LYS 74 H LYS 74 31.392 4.945 -3.613 595 HA LYS 74 HA LYS 74 33.417 6.703 -2.644 596 1HB LYS 74 HB2 LYS 74 30.639 6.062 -1.547 597 2HB LYS 74 HB3 LYS 74 31.683 7.362 -0.967 598 1HG LYS 74 HG2 LYS 74 31.742 8.268 -3.367 599 2HG LYS 74 HG3 LYS 74 30.542 7.050 -3.783 600 1HD LYS 74 HD2 LYS 74 29.195 8.897 -3.360 601 2HD LYS 74 HD3 LYS 74 29.141 8.050 -1.805 602 1HE LYS 74 HE2 LYS 74 31.060 9.570 -1.038 603 2HE LYS 74 HE3 LYS 74 30.915 10.412 -2.592 604 1HZ LYS 74 HZ1 LYS 74 28.786 10.190 -0.581 605 2HZ LYS 74 HZ2 LYS 74 29.718 11.520 -0.855 606 3HZ LYS 74 HZ3 LYS 74 28.679 10.990 -2.018 607 H ILE 75 H ILE 75 31.913 3.828 -0.979 608 HA ILE 75 HA ILE 75 33.446 4.108 1.391 609 HB ILE 75 HB ILE 75 32.443 1.568 0.010 610 1HG1 ILE 75 2HG1 ILE 75 31.339 3.098 2.433 611 2HG1 ILE 75 3HG1 ILE 75 30.747 3.375 0.802 612 1HG2 ILE 75 1HG2 ILE 75 34.235 0.977 1.610 613 2HG2 ILE 75 2HG2 ILE 75 33.477 1.986 2.860 614 3HG2 ILE 75 3HG2 ILE 75 32.686 0.521 2.292 615 1HD1 ILE 75 1HD1 ILE 75 30.523 0.768 2.353 616 2HD1 ILE 75 2HD1 ILE 75 29.235 1.862 1.861 617 3HD1 ILE 75 3HD1 ILE 75 30.123 0.951 0.627 618 H GLN 76 H GLN 76 34.248 2.353 -1.634 619 HA GLN 76 HA GLN 76 36.755 1.404 -0.758 620 1HB GLN 76 HB2 GLN 76 35.390 1.854 -3.384 621 2HB GLN 76 HB3 GLN 76 37.138 1.739 -3.474 622 1HG GLN 76 HG2 GLN 76 35.325 -0.369 -2.191 623 2HG GLN 76 HG3 GLN 76 36.044 -0.454 -3.801 624 1HE2 GLN 76 2HE2 GLN 76 36.645 -2.492 -1.845 625 2HE2 GLN 76 1HE2 GLN 76 38.345 -2.322 -1.484 626 H LYS 77 H LYS 77 35.943 4.446 -2.454 627 HA LYS 77 HA LYS 77 38.639 5.414 -2.567 628 1HB LYS 77 HB2 LYS 77 35.914 6.731 -2.724 629 2HB LYS 77 HB3 LYS 77 37.384 7.653 -2.950 630 1HG LYS 77 HG2 LYS 77 36.548 5.266 -4.621 631 2HG LYS 77 HG3 LYS 77 36.384 6.965 -5.073 632 1HD LYS 77 HD2 LYS 77 38.408 6.810 -6.048 633 2HD LYS 77 HD3 LYS 77 39.113 6.728 -4.432 634 1HE LYS 77 HE2 LYS 77 38.805 4.190 -4.525 635 2HE LYS 77 HE3 LYS 77 38.228 4.376 -6.188 636 1HZ LYS 77 HZ1 LYS 77 40.879 5.124 -5.178 637 2HZ LYS 77 HZ2 LYS 77 40.517 3.824 -6.124 638 3HZ LYS 77 HZ3 LYS 77 40.356 5.351 -6.726 639 H GLU 78 H GLU 78 36.036 6.137 -0.285 640 HA GLU 78 HA GLU 78 37.630 8.002 1.246 641 1HB GLU 78 HB2 GLU 78 34.892 6.773 1.741 642 2HB GLU 78 HB3 GLU 78 35.606 8.075 2.700 643 1HG GLU 78 HG2 GLU 78 34.998 8.259 -0.276 644 2HG GLU 78 HG3 GLU 78 33.993 8.911 1.017 645 H LEU 79 H LEU 79 36.153 4.817 1.978 646 HA LEU 79 HA LEU 79 37.339 4.820 4.655 647 1HB LEU 79 HB2 LEU 79 35.075 3.553 3.287 648 2HB LEU 79 HB3 LEU 79 36.000 2.370 4.180 649 HG LEU 79 HG LEU 79 34.092 3.347 5.409 650 1HD1 LEU 79 1HD1 LEU 79 35.952 2.489 6.723 651 2HD1 LEU 79 2HD1 LEU 79 36.755 4.076 6.700 652 3HD1 LEU 79 3HD1 LEU 79 35.200 3.875 7.524 653 1HD2 LEU 79 1HD2 LEU 79 34.029 5.642 6.154 654 2HD2 LEU 79 2HD2 LEU 79 35.578 6.009 5.381 655 3HD2 LEU 79 3HD2 LEU 79 34.161 5.612 4.386 656 H GLU 80 H GLU 80 37.553 2.740 1.716 657 HA GLU 80 HA GLU 80 39.431 1.002 3.124 658 1HB GLU 80 HB2 GLU 80 38.736 0.935 0.185 659 2HB GLU 80 HB3 GLU 80 39.448 -0.354 1.152 660 1HG GLU 80 HG2 GLU 80 36.619 0.753 1.458 661 2HG GLU 80 HG3 GLU 80 37.085 -0.835 0.841 662 H GLU 81 H GLU 81 40.437 3.611 3.033 663 HA GLU 81 HA GLU 81 42.779 3.616 1.269 664 1HB GLU 81 HB2 GLU 81 43.419 5.615 2.526 665 2HB GLU 81 HB3 GLU 81 41.794 5.728 1.841 666 1HG GLU 81 HG2 GLU 81 40.802 5.277 4.083 667 2HG GLU 81 HG3 GLU 81 42.433 5.160 4.773 668 H LYS 82 H LYS 82 41.918 2.866 4.624 669 HA LYS 82 HA LYS 82 44.545 1.904 5.467 670 1HB LYS 82 HB2 LYS 82 43.357 1.308 7.484 671 2HB LYS 82 HB3 LYS 82 42.793 2.887 6.937 672 1HG LYS 82 HG2 LYS 82 40.936 1.351 5.679 673 2HG LYS 82 HG3 LYS 82 41.342 0.248 6.993 674 1HD LYS 82 HD2 LYS 82 40.871 2.130 8.617 675 2HD LYS 82 HD3 LYS 82 40.325 3.109 7.239 676 1HE LYS 82 HE2 LYS 82 39.146 0.449 8.175 677 2HE LYS 82 HE3 LYS 82 38.398 2.052 8.312 678 1HZ LYS 82 HZ1 LYS 82 38.962 0.563 5.847 679 2HZ LYS 82 HZ2 LYS 82 37.486 0.929 6.470 680 3HZ LYS 82 HZ3 LYS 82 38.456 2.127 5.867 681 H ARG 83 H ARG 83 44.037 0.768 3.037 682 HA ARG 83 HA ARG 83 42.382 -1.252 2.656 683 1HB ARG 83 HB2 ARG 83 44.121 -0.092 1.155 684 2HB ARG 83 HB3 ARG 83 45.187 -1.459 1.502 685 1HG ARG 83 HG2 ARG 83 43.628 -2.999 0.459 686 2HG ARG 83 HG3 ARG 83 42.314 -1.819 0.544 687 1HD ARG 83 HD2 ARG 83 43.763 -0.317 -1.020 688 2HD ARG 83 HD3 ARG 83 44.709 -1.777 -1.310 689 HE ARG 83 HE ARG 83 42.990 -2.592 -2.610 690 1HH1 ARG 83 1HH1 ARG 83 41.633 0.077 -0.572 691 2HH1 ARG 83 2HH1 ARG 83 40.136 0.056 -1.474 692 1HH2 ARG 83 1HH2 ARG 83 40.971 -2.481 -3.706 693 2HH2 ARG 83 2HH2 ARG 83 39.783 -1.294 -3.199 694 H ARG 84 H ARG 84 45.700 -1.984 3.893 695 HA ARG 84 HA ARG 84 45.156 -4.802 4.057 696 1HB ARG 84 HB2 ARG 84 47.299 -3.136 5.436 697 2HB ARG 84 HB3 ARG 84 47.242 -4.905 5.360 698 1HG ARG 84 HG2 ARG 84 47.271 -4.764 2.866 699 2HG ARG 84 HG3 ARG 84 47.425 -3.005 2.981 700 1HD ARG 84 HD2 ARG 84 49.648 -3.991 2.614 701 2HD ARG 84 HD3 ARG 84 49.556 -3.248 4.206 702 HE ARG 84 HE ARG 84 49.877 -5.270 5.205 703 1HH1 ARG 84 1HH2 ARG 84 48.945 -5.870 1.851 704 2HH1 ARG 84 2HH2 ARG 84 49.239 -7.586 1.925 705 1HH2 ARG 84 1HH1 ARG 84 50.249 -7.506 5.325 706 2HH2 ARG 84 2HH1 ARG 84 49.995 -8.530 3.940 707 H SER 85 H SER 85 44.336 -2.174 6.214 708 HA SER 85 HA SER 85 44.422 -3.736 8.651 709 1HB SER 85 HB2 SER 85 43.187 -1.020 8.068 710 2HB SER 85 HB3 SER 85 43.533 -1.709 9.663 711 HG SER 85 HG SER 85 45.229 -0.334 8.939 712 H ARG 86 H ARG 86 43.086 -5.486 7.607 713 HA ARG 86 HA ARG 86 40.230 -5.260 7.357 714 1HB ARG 86 HB2 ARG 86 42.010 -7.636 7.977 715 2HB ARG 86 HB3 ARG 86 40.307 -7.751 7.544 716 1HG ARG 86 HG2 ARG 86 42.524 -6.705 5.727 717 2HG ARG 86 HG3 ARG 86 41.751 -8.287 5.677 718 1HD ARG 86 HD2 ARG 86 40.526 -7.255 4.046 719 2HD ARG 86 HD3 ARG 86 39.509 -6.890 5.445 720 HE ARG 86 HE ARG 86 41.599 -4.908 4.834 721 1HH1 ARG 86 1HH2 ARG 86 38.238 -5.810 4.130 722 2HH1 ARG 86 2HH2 ARG 86 37.895 -4.331 3.260 723 1HH2 ARG 86 2HH1 ARG 86 41.160 -3.034 3.837 724 2HH2 ARG 86 1HH1 ARG 86 39.515 -2.591 3.365 725 H LEU 87 H LEU 87 40.311 -3.824 9.489 726 HA LEU 87 HA LEU 87 40.116 -5.429 11.981 727 1HB LEU 87 HB2 LEU 87 39.964 -2.438 11.473 728 2HB LEU 87 HB3 LEU 87 40.016 -3.209 13.063 729 HG LEU 87 HG LEU 87 42.241 -3.380 10.974 730 1HD1 LEU 87 1HD1 LEU 87 43.462 -1.853 12.469 731 2HD1 LEU 87 2HD1 LEU 87 41.979 -1.103 11.854 732 3HD1 LEU 87 3HD1 LEU 87 42.034 -1.725 13.518 733 1HD2 LEU 87 1HD2 LEU 87 42.137 -4.298 13.881 734 2HD2 LEU 87 2HD2 LEU 87 42.286 -5.344 12.450 735 3HD2 LEU 87 3HD2 LEU 87 43.598 -4.245 12.872 736 1H LYS 88 H1 LYS 88 44.204 2.442 -12.170 737 2H LYS 88 H2 LYS 88 44.109 4.092 -12.185 738 3H LYS 88 H3 LYS 88 44.870 3.321 -10.949 739 HA LYS 88 HA LYS 88 42.899 2.325 -10.181 740 1HB LYS 88 HB2 LYS 88 41.791 4.239 -9.286 741 2HB LYS 88 HB3 LYS 88 43.531 4.525 -9.304 742 1HG LYS 88 HG2 LYS 88 43.296 5.949 -11.323 743 2HG LYS 88 HG3 LYS 88 41.547 5.639 -11.345 744 1HD LYS 88 HD2 LYS 88 41.340 6.671 -9.084 745 2HD LYS 88 HD3 LYS 88 43.084 6.981 -9.081 746 1HE LYS 88 HE2 LYS 88 41.914 9.016 -9.703 747 2HE LYS 88 HE3 LYS 88 42.826 8.428 -11.102 748 1HZ LYS 88 HZ1 LYS 88 40.615 9.125 -11.672 749 2HZ LYS 88 HZ2 LYS 88 40.785 7.515 -11.959 750 3HZ LYS 88 HZ3 LYS 88 39.947 8.032 -10.637 751 H GLU 89 H GLU 89 42.470 3.927 -13.301 752 HA GLU 89 HA GLU 89 39.746 4.119 -13.374 753 1HB GLU 89 HB2 GLU 89 41.374 4.979 -15.039 754 2HB GLU 89 HB3 GLU 89 41.528 3.362 -15.735 755 1HG GLU 89 HG2 GLU 89 39.983 4.768 -17.046 756 2HG GLU 89 HG3 GLU 89 39.140 3.374 -16.364 757 H LYS 90 H LYS 90 41.624 1.276 -14.356 758 HA LYS 90 HA LYS 90 39.488 -0.422 -15.130 759 1HB LYS 90 HB2 LYS 90 42.154 -1.095 -13.806 760 2HB LYS 90 HB3 LYS 90 41.056 -2.273 -14.541 761 1HG LYS 90 HG2 LYS 90 41.257 -1.114 -16.729 762 2HG LYS 90 HG3 LYS 90 42.412 0.031 -16.020 763 1HD LYS 90 HD2 LYS 90 43.913 -1.881 -15.425 764 2HD LYS 90 HD3 LYS 90 42.764 -2.998 -16.188 765 1HE LYS 90 HE2 LYS 90 43.074 -1.836 -18.366 766 2HE LYS 90 HE3 LYS 90 44.218 -0.711 -17.607 767 1HZ LYS 90 HZ1 LYS 90 44.569 -3.619 -17.798 768 2HZ LYS 90 HZ2 LYS 90 45.317 -2.494 -18.739 769 3HZ LYS 90 HZ3 LYS 90 45.636 -2.559 -17.124 770 H ARG 91 H ARG 91 40.819 0.348 -11.945 771 HA ARG 91 HA ARG 91 39.342 -1.712 -10.510 772 1HB ARG 91 HB2 ARG 91 41.335 -1.024 -9.539 773 2HB ARG 91 HB3 ARG 91 40.982 0.686 -9.628 774 1HG ARG 91 HG2 ARG 91 39.225 -1.094 -7.914 775 2HG ARG 91 HG3 ARG 91 40.842 -0.635 -7.383 776 1HD ARG 91 HD2 ARG 91 40.175 1.819 -7.838 777 2HD ARG 91 HD3 ARG 91 38.516 1.259 -7.913 778 HE ARG 91 HE ARG 91 38.519 0.856 -5.630 779 1HH1 ARG 91 1HH2 ARG 91 41.836 1.484 -6.694 780 2HH1 ARG 91 2HH2 ARG 91 42.439 1.789 -5.088 781 1HH2 ARG 91 1HH1 ARG 91 39.377 1.086 -3.478 782 2HH2 ARG 91 2HH1 ARG 91 41.021 1.590 -3.268 783 H ILE 92 H ILE 92 38.945 1.822 -10.981 784 HA ILE 92 HA ILE 92 36.467 2.160 -9.683 785 HB ILE 92 HB ILE 92 37.927 3.566 -11.922 786 1HG1 ILE 92 2HG1 ILE 92 37.417 5.536 -10.369 787 2HG1 ILE 92 3HG1 ILE 92 36.790 4.351 -9.212 788 1HG2 ILE 92 1HG2 ILE 92 35.007 4.065 -11.310 789 2HG2 ILE 92 2HG2 ILE 92 36.068 5.229 -12.133 790 3HG2 ILE 92 3HG2 ILE 92 35.730 3.683 -12.881 791 1HD1 ILE 92 1HD1 ILE 92 39.604 4.508 -10.340 792 2HD1 ILE 92 2HD1 ILE 92 39.097 5.006 -8.716 793 3HD1 ILE 92 3HD1 ILE 92 39.042 3.293 -9.163 794 H LYS 93 H LYS 93 37.037 1.284 -13.136 795 HA LYS 93 HA LYS 93 34.246 1.145 -13.641 796 1HB LYS 93 HB2 LYS 93 36.603 -0.018 -15.154 797 2HB LYS 93 HB3 LYS 93 34.953 -0.026 -15.789 798 1HG LYS 93 HG2 LYS 93 36.165 2.597 -14.873 799 2HG LYS 93 HG3 LYS 93 36.679 1.894 -16.396 800 1HD LYS 93 HD2 LYS 93 34.943 3.523 -16.773 801 2HD LYS 93 HD3 LYS 93 34.400 1.917 -17.276 802 1HE LYS 93 HE2 LYS 93 32.970 1.720 -15.310 803 2HE LYS 93 HE3 LYS 93 33.652 3.207 -14.602 804 1HZ LYS 93 HZ1 LYS 93 32.690 4.412 -16.410 805 2HZ LYS 93 HZ2 LYS 93 32.081 3.028 -17.072 806 3HZ LYS 93 HZ3 LYS 93 31.545 3.543 -15.599 807 H GLU 94 H GLU 94 36.594 -1.529 -13.052 808 HA GLU 94 HA GLU 94 34.683 -3.628 -13.236 809 1HB GLU 94 HB2 GLU 94 37.252 -3.348 -11.615 810 2HB GLU 94 HB3 GLU 94 36.329 -4.855 -11.741 811 1HG GLU 94 HG2 GLU 94 36.626 -4.931 -14.154 812 2HG GLU 94 HG3 GLU 94 37.413 -3.352 -14.172 813 H LEU 95 H LEU 95 35.703 -1.663 -10.409 814 HA LEU 95 HA LEU 95 34.118 -2.889 -8.441 815 1HB LEU 95 HB2 LEU 95 35.938 -1.258 -8.070 816 2HB LEU 95 HB3 LEU 95 34.941 0.023 -8.775 817 HG LEU 95 HG LEU 95 33.322 -0.277 -6.869 818 1HD1 LEU 95 1HD1 LEU 95 35.545 -2.132 -5.858 819 2HD1 LEU 95 2HD1 LEU 95 34.283 -1.457 -4.823 820 3HD1 LEU 95 3HD1 LEU 95 33.842 -2.565 -6.131 821 1HD2 LEU 95 1HD2 LEU 95 35.059 1.475 -6.926 822 2HD2 LEU 95 2HD2 LEU 95 34.809 0.861 -5.282 823 3HD2 LEU 95 3HD2 LEU 95 36.236 0.354 -6.210 824 H GLU 96 H GLU 96 33.335 -0.086 -10.579 825 HA GLU 96 HA GLU 96 30.696 0.319 -9.634 826 1HB GLU 96 HB2 GLU 96 31.957 1.942 -10.913 827 2HB GLU 96 HB3 GLU 96 31.951 0.909 -12.343 828 1HG GLU 96 HG2 GLU 96 29.506 1.123 -12.527 829 2HG GLU 96 HG3 GLU 96 29.454 2.047 -11.014 830 H LEU 97 H LEU 97 31.855 -1.511 -12.489 831 HA LEU 97 HA LEU 97 29.297 -2.340 -13.388 832 1HB LEU 97 HB2 LEU 97 32.147 -3.040 -14.045 833 2HB LEU 97 HB3 LEU 97 30.905 -4.176 -14.532 834 HG LEU 97 HG LEU 97 29.681 -2.476 -15.767 835 1HD1 LEU 97 1HD1 LEU 97 31.942 -0.562 -15.045 836 2HD1 LEU 97 2HD1 LEU 97 30.645 -0.250 -16.210 837 3HD1 LEU 97 3HD1 LEU 97 30.256 -0.428 -14.497 838 1HD2 LEU 97 1HD2 LEU 97 31.317 -2.168 -17.588 839 2HD2 LEU 97 2HD2 LEU 97 32.644 -2.567 -16.476 840 3HD2 LEU 97 3HD2 LEU 97 31.430 -3.796 -16.896 841 H LEU 98 H LEU 98 31.606 -3.999 -11.205 842 HA LEU 98 HA LEU 98 30.579 -6.547 -11.213 843 1HB LEU 98 HB2 LEU 98 32.524 -5.945 -9.920 844 2HB LEU 98 HB3 LEU 98 31.575 -4.880 -8.877 845 HG LEU 98 HG LEU 98 30.377 -6.836 -7.934 846 1HD1 LEU 98 1HD1 LEU 98 31.224 -9.128 -8.399 847 2HD1 LEU 98 2HD1 LEU 98 30.473 -8.418 -9.830 848 3HD1 LEU 98 3HD1 LEU 98 32.246 -8.487 -9.700 849 1HD2 LEU 98 1HD2 LEU 98 32.439 -5.989 -6.879 850 2HD2 LEU 98 2HD2 LEU 98 32.272 -7.741 -6.667 851 3HD2 LEU 98 3HD2 LEU 98 33.409 -7.100 -7.871 852 H LEU 99 H LEU 99 29.373 -3.861 -9.133 853 HA LEU 99 HA LEU 99 27.309 -5.409 -7.976 854 1HB LEU 99 HB2 LEU 99 28.337 -3.139 -7.274 855 2HB LEU 99 HB3 LEU 99 27.150 -2.401 -8.347 856 HG LEU 99 HG LEU 99 26.502 -2.386 -5.993 857 1HD1 LEU 99 1HD1 LEU 99 24.235 -3.144 -6.185 858 2HD1 LEU 99 2HD1 LEU 99 24.752 -2.407 -7.714 859 3HD1 LEU 99 3HD1 LEU 99 24.640 -4.185 -7.558 860 1HD2 LEU 99 1HD2 LEU 99 27.592 -4.631 -5.413 861 2HD2 LEU 99 2HD2 LEU 99 25.998 -4.315 -4.697 862 3HD2 LEU 99 3HD2 LEU 99 26.144 -5.407 -6.081 863 H MET 100 H MET 100 27.181 -3.054 -10.686 864 HA MET 100 HA MET 100 24.484 -3.249 -11.405 865 1HB MET 100 HB2 MET 100 26.944 -2.900 -13.156 866 2HB MET 100 HB3 MET 100 25.281 -2.643 -13.699 867 1HG MET 100 HG2 MET 100 24.953 -0.862 -12.093 868 2HG MET 100 HG3 MET 100 26.541 -1.138 -11.366 869 1HE MET 100 HE1 MET 100 25.402 1.718 -12.315 870 2HE MET 100 HE2 MET 100 26.954 1.443 -11.485 871 3HE MET 100 HE3 MET 100 26.905 2.386 -12.992 872 H SER 101 H SER 101 27.177 -5.365 -12.413 873 HA SER 101 HA SER 101 25.606 -6.960 -14.179 874 1HB SER 101 HB2 SER 101 27.565 -8.296 -14.433 875 2HB SER 101 HB3 SER 101 28.093 -6.610 -14.282 876 HG SER 101 HG SER 101 28.320 -7.218 -11.918 877 H THR 102 H THR 102 25.546 -6.993 -10.762 878 HA THR 102 HA THR 102 25.872 -9.595 -10.056 879 HB THR 102 HB THR 102 23.839 -7.678 -8.888 880 HG1 THR 102 HG1 THR 102 25.986 -6.973 -8.846 881 1HG2 THR 102 1HG2 THR 102 24.251 -9.100 -6.794 882 2HG2 THR 102 2HG2 THR 102 23.298 -9.905 -8.045 883 3HG2 THR 102 3HG2 THR 102 25.023 -10.289 -7.859 884 H GLU 103 H GLU 103 22.918 -8.344 -11.627 885 HA GLU 103 HA GLU 103 21.333 -10.686 -11.185 886 1HB GLU 103 HB2 GLU 103 20.095 -9.961 -13.222 887 2HB GLU 103 HB3 GLU 103 20.230 -8.793 -11.903 888 1HG GLU 103 HG2 GLU 103 21.952 -7.515 -13.102 889 2HG GLU 103 HG3 GLU 103 21.901 -8.678 -14.447 890 H ASN 104 H ASN 104 23.678 -9.917 -13.750 891 HA ASN 104 HA ASN 104 23.247 -12.394 -15.239 892 1HB ASN 104 HB2 ASN 104 24.185 -10.402 -16.347 893 2HB ASN 104 HB3 ASN 104 25.578 -10.432 -15.255 894 1HD2 ASN 104 2HD2 ASN 104 23.920 -12.265 -17.861 895 2HD2 ASN 104 1HD2 ASN 104 25.349 -13.167 -18.326 896 H GLU 105 H GLU 105 25.505 -11.210 -12.755 897 HA GLU 105 HA GLU 105 27.183 -13.444 -12.587 898 1HB GLU 105 HB2 GLU 105 27.360 -11.183 -11.334 899 2HB GLU 105 HB3 GLU 105 26.231 -11.882 -10.155 900 1HG GLU 105 HG2 GLU 105 27.931 -13.867 -10.081 901 2HG GLU 105 HG3 GLU 105 29.058 -12.696 -10.804 902 H LEU 106 H LEU 106 24.195 -12.747 -10.802 903 HA LEU 106 HA LEU 106 24.017 -15.073 -9.272 904 1HB LEU 106 HB2 LEU 106 22.808 -12.861 -8.966 905 2HB LEU 106 HB3 LEU 106 21.740 -13.329 -10.287 906 HG LEU 106 HG LEU 106 21.263 -15.462 -8.800 907 1HD1 LEU 106 1HD1 LEU 106 23.110 -14.998 -7.153 908 2HD1 LEU 106 2HD1 LEU 106 22.313 -13.468 -6.730 909 3HD1 LEU 106 3HD1 LEU 106 21.518 -15.014 -6.374 910 1HD2 LEU 106 1HD2 LEU 106 20.316 -12.686 -7.973 911 2HD2 LEU 106 2HD2 LEU 106 19.620 -13.672 -9.277 912 3HD2 LEU 106 3HD2 LEU 106 19.501 -14.216 -7.593 913 H LYS 107 H LYS 107 22.403 -14.184 -12.356 914 HA LYS 107 HA LYS 107 20.985 -16.636 -12.663 915 1HB LYS 107 HB2 LYS 107 21.778 -14.457 -14.625 916 2HB LYS 107 HB3 LYS 107 20.769 -15.849 -15.059 917 1HG LYS 107 HG2 LYS 107 19.064 -15.248 -13.445 918 2HG LYS 107 HG3 LYS 107 20.079 -13.995 -12.743 919 1HD LYS 107 HD2 LYS 107 18.376 -12.991 -14.174 920 2HD LYS 107 HD3 LYS 107 20.003 -12.658 -14.774 921 1HE LYS 107 HE2 LYS 107 18.414 -13.201 -16.600 922 2HE LYS 107 HE3 LYS 107 19.757 -14.347 -16.540 923 1HZ LYS 107 HZ1 LYS 107 18.322 -15.877 -15.400 924 2HZ LYS 107 HZ2 LYS 107 17.075 -14.798 -15.420 925 3HZ LYS 107 HZ3 LYS 107 17.647 -15.425 -16.833 926 H GLY 108 H GLY 108 24.285 -15.683 -13.734 927 1HA GLY 108 HA2 GLY 108 24.703 -18.531 -14.574 928 2HA GLY 108 HA3 GLY 108 24.988 -17.216 -15.715 929 H GLN 109 H GLN 109 26.497 -15.383 -14.624 930 HA GLN 109 HA GLN 109 28.969 -16.950 -14.318 931 1HB GLN 109 HB2 GLN 109 28.530 -13.966 -14.693 932 2HB GLN 109 HB3 GLN 109 30.095 -14.802 -14.670 933 1HG GLN 109 HG2 GLN 109 29.258 -16.270 -16.562 934 2HG GLN 109 HG3 GLN 109 27.850 -15.205 -16.696 935 1HE2 GLN 109 2HE2 GLN 109 28.404 -12.779 -16.989 936 2HE2 GLN 109 1HE2 GLN 109 29.806 -12.438 -18.000 937 H GLN 110 H GLN 110 28.070 -17.677 -12.175 938 HA GLN 110 HA GLN 110 27.834 -16.105 -9.895 939 1HB GLN 110 HB2 GLN 110 28.331 -19.024 -10.424 940 2HB GLN 110 HB3 GLN 110 28.253 -18.461 -8.761 941 1HG GLN 110 HG2 GLN 110 26.047 -17.801 -10.750 942 2HG GLN 110 HG3 GLN 110 26.078 -19.291 -9.801 943 1HE2 GLN 110 2HE2 GLN 110 23.888 -17.692 -9.386 944 2HE2 GLN 110 1HE2 GLN 110 24.028 -17.052 -7.756 945 H ALA 111 H ALA 111 29.931 -14.752 -10.472 946 HA ALA 111 HA ALA 111 32.361 -15.658 -9.145 947 1HB ALA 111 HB1 ALA 111 33.108 -13.355 -9.515 948 2HB ALA 111 HB2 ALA 111 32.394 -14.033 -10.991 949 3HB ALA 111 HB3 ALA 111 31.469 -12.877 -10.008 950 H LEU 112 H LEU 112 30.830 -16.378 -7.279 951 HA LEU 112 HA LEU 112 29.794 -14.492 -5.436 952 1HB LEU 112 HB2 LEU 112 29.267 -16.918 -5.465 953 2HB LEU 112 HB3 LEU 112 30.921 -17.279 -4.955 954 HG LEU 112 HG LEU 112 30.495 -16.066 -2.797 955 1HD1 LEU 112 1HD1 LEU 112 28.652 -14.552 -3.508 956 2HD1 LEU 112 2HD1 LEU 112 27.617 -15.963 -3.818 957 3HD1 LEU 112 3HD1 LEU 112 28.138 -15.583 -2.168 958 1HD2 LEU 112 1HD2 LEU 112 28.556 -18.313 -3.480 959 2HD2 LEU 112 2HD2 LEU 112 30.245 -18.506 -2.965 960 3HD2 LEU 112 3HD2 LEU 112 29.050 -17.828 -1.845
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