NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
145531 | 2kkm | 16365 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 9.416 37.647 8.106 2 HA MET 1 HA MET 1 11.030 39.353 8.527 3 HB2 MET 1 HB3 MET 1 8.965 41.140 7.231 4 HB3 MET 1 HB2 MET 1 10.303 41.746 8.198 5 HG2 MET 1 HG3 MET 1 10.567 40.123 5.678 6 HG3 MET 1 HG2 MET 1 10.748 41.872 5.797 7 HE1 MET 1 HE1 MET 1 12.721 43.081 7.065 8 HE2 MET 1 HE2 MET 1 13.949 42.233 8.005 9 HE3 MET 1 HE3 MET 1 12.269 42.232 8.543 10 H ARG 2 H ARG 2 7.526 39.891 8.766 11 HA ARG 2 HA ARG 2 7.868 40.455 11.632 12 HB2 ARG 2 HB3 ARG 2 5.479 40.927 9.839 13 HB3 ARG 2 HB2 ARG 2 5.601 41.388 11.528 14 HG2 ARG 2 HG3 ARG 2 7.362 42.970 10.996 15 HG3 ARG 2 HG2 ARG 2 7.313 42.473 9.301 16 HD2 ARG 2 HD3 ARG 2 4.999 43.226 9.138 17 HD3 ARG 2 HD2 ARG 2 5.022 43.696 10.837 18 HE ARG 2 HE ARG 2 6.949 45.233 10.022 19 HH11 ARG 2 HH11 ARG 2 4.076 44.388 8.202 20 HH12 ARG 2 HH12 ARG 2 4.007 45.898 7.358 21 HH21 ARG 2 HH22 ARG 2 6.863 47.229 8.929 22 HH22 ARG 2 HH21 ARG 2 5.606 47.524 7.769 23 H GLU 3 H GLU 3 6.856 39.210 13.165 24 HA GLU 3 HA GLU 3 5.149 37.016 12.197 25 HB2 GLU 3 HB3 GLU 3 6.695 37.270 14.784 26 HB3 GLU 3 HB2 GLU 3 5.517 36.006 14.471 27 HG2 GLU 3 HG3 GLU 3 6.972 35.450 12.429 28 HG3 GLU 3 HG2 GLU 3 8.204 36.427 13.232 29 H ASP 4 H ASP 4 3.157 36.675 13.239 30 HA ASP 4 HA ASP 4 1.839 39.004 14.201 31 HB2 ASP 4 HB3 ASP 4 0.831 36.922 13.031 32 HB3 ASP 4 HB2 ASP 4 0.851 36.187 14.630 33 H LYS 5 H LYS 5 0.715 39.043 16.366 34 HA LYS 5 HA LYS 5 2.622 38.746 18.451 35 HB2 LYS 5 HB3 LYS 5 -0.345 39.312 18.563 36 HB3 LYS 5 HB2 LYS 5 0.740 39.405 19.943 37 HG2 LYS 5 HG3 LYS 5 2.010 41.170 18.806 38 HG3 LYS 5 HG2 LYS 5 0.875 41.094 17.456 39 HD2 LYS 5 HD3 LYS 5 -0.952 41.722 18.940 40 HD3 LYS 5 HD2 LYS 5 0.159 41.756 20.310 41 HE2 LYS 5 HE3 LYS 5 1.417 43.560 19.252 42 HE3 LYS 5 HE2 LYS 5 0.326 43.516 17.868 43 HZ1 LYS 5 HZ1 LYS 5 -1.490 44.167 19.292 44 HZ2 LYS 5 HZ2 LYS 5 -0.225 45.292 19.433 45 HZ3 LYS 5 HZ3 LYS 5 -0.482 44.144 20.658 46 H ILE 6 H ILE 6 0.049 36.792 17.192 47 HA ILE 6 HA ILE 6 0.100 34.950 19.421 48 HB ILE 6 HB ILE 6 -2.007 35.295 18.216 49 HG12 ILE 6 HG13 ILE 6 -0.893 32.504 17.860 50 HG13 ILE 6 HG12 ILE 6 -1.615 33.145 19.332 51 HG21 ILE 6 HG21 ILE 6 -1.147 35.749 15.994 52 HG22 ILE 6 HG22 ILE 6 -2.320 34.432 15.941 53 HG23 ILE 6 HG23 ILE 6 -0.595 34.080 15.846 54 HD11 ILE 6 HD11 ILE 6 -3.027 32.728 16.708 55 HD12 ILE 6 HD12 ILE 6 -3.753 33.380 18.176 56 HD13 ILE 6 HD13 ILE 6 -3.169 31.716 18.146 57 H ALA 7 H ALA 7 1.289 33.146 19.571 58 HA ALA 7 HA ALA 7 3.230 32.591 17.478 59 HB1 ALA 7 HB1 ALA 7 3.994 32.634 19.801 60 HB2 ALA 7 HB2 ALA 7 4.212 31.032 19.096 61 HB3 ALA 7 HB3 ALA 7 2.872 31.333 20.202 62 H ALA 8 H ALA 8 3.541 30.353 16.728 63 HA ALA 8 HA ALA 8 1.155 29.213 15.768 64 HB1 ALA 8 HB1 ALA 8 3.293 28.982 14.604 65 HB2 ALA 8 HB2 ALA 8 2.562 27.409 14.921 66 HB3 ALA 8 HB3 ALA 8 3.903 27.975 15.917 67 H LYS 9 H LYS 9 -0.298 28.459 17.179 68 HA LYS 9 HA LYS 9 0.434 27.079 19.572 69 HB2 LYS 9 HB3 LYS 9 -2.253 27.412 18.222 70 HB3 LYS 9 HB2 LYS 9 -2.011 26.730 19.828 71 HG2 LYS 9 HG3 LYS 9 -0.981 28.862 20.535 72 HG3 LYS 9 HG2 LYS 9 -1.359 29.534 18.949 73 HD2 LYS 9 HD3 LYS 9 -3.744 29.152 19.365 74 HD3 LYS 9 HD2 LYS 9 -3.355 28.490 20.957 75 HE2 LYS 9 HE3 LYS 9 -2.334 30.648 21.573 76 HE3 LYS 9 HE2 LYS 9 -2.801 31.300 20.003 77 HZ1 LYS 9 HZ1 LYS 9 -4.399 31.959 21.637 78 HZ2 LYS 9 HZ2 LYS 9 -4.623 30.356 22.148 79 HZ3 LYS 9 HZ3 LYS 9 -5.132 30.834 20.601 80 H LYS 10 H LYS 10 -0.039 24.865 20.074 81 HA LYS 10 HA LYS 10 0.559 23.256 17.681 82 HB2 LYS 10 HB3 LYS 10 1.651 22.971 20.485 83 HB3 LYS 10 HB2 LYS 10 2.058 21.938 19.119 84 HG2 LYS 10 HG3 LYS 10 3.239 23.631 18.033 85 HG3 LYS 10 HG2 LYS 10 2.490 24.900 19.002 86 HD2 LYS 10 HD3 LYS 10 3.697 24.079 20.978 87 HD3 LYS 10 HD2 LYS 10 4.467 22.842 19.982 88 HE2 LYS 10 HE3 LYS 10 5.912 24.809 20.354 89 HE3 LYS 10 HE2 LYS 10 5.558 24.533 18.650 90 HZ1 LYS 10 HZ1 LYS 10 4.178 26.516 20.384 91 HZ2 LYS 10 HZ2 LYS 10 3.900 26.275 18.730 92 HZ3 LYS 10 HZ3 LYS 10 5.391 26.882 19.257 93 H LYS 11 H LYS 11 0.227 20.908 17.973 94 HA LYS 11 HA LYS 11 -2.383 20.444 19.200 95 HB2 LYS 11 HB3 LYS 11 -2.032 19.932 16.783 96 HB3 LYS 11 HB2 LYS 11 -0.830 18.735 17.241 97 HG2 LYS 11 HG3 LYS 11 -2.491 17.396 18.328 98 HG3 LYS 11 HG2 LYS 11 -3.714 18.647 18.091 99 HD2 LYS 11 HD3 LYS 11 -3.535 18.370 15.670 100 HD3 LYS 11 HD2 LYS 11 -2.295 17.135 15.897 101 HE2 LYS 11 HE3 LYS 11 -3.875 15.702 17.029 102 HE3 LYS 11 HE2 LYS 11 -5.112 16.955 16.954 103 HZ1 LYS 11 HZ1 LYS 11 -3.873 15.652 14.584 104 HZ2 LYS 11 HZ2 LYS 11 -5.145 16.779 14.570 105 HZ3 LYS 11 HZ3 LYS 11 -5.381 15.244 15.242 106 H LEU 12 H LEU 12 -2.743 18.651 20.578 107 HA LEU 12 HA LEU 12 -0.402 18.031 22.188 108 HB2 LEU 12 HB3 LEU 12 -3.353 17.605 22.611 109 HB3 LEU 12 HB2 LEU 12 -2.148 16.937 23.693 110 HG LEU 12 HG LEU 12 -1.338 19.291 24.099 111 HD11 LEU 12 HD11 LEU 12 -3.901 20.009 22.683 112 HD12 LEU 12 HD12 LEU 12 -2.268 20.353 22.114 113 HD13 LEU 12 HD13 LEU 12 -2.870 21.122 23.583 114 HD21 LEU 12 HD21 LEU 12 -3.173 19.826 25.634 115 HD22 LEU 12 HD22 LEU 12 -2.733 18.119 25.697 116 HD23 LEU 12 HD23 LEU 12 -4.184 18.625 24.831 117 H HIS 13 H HIS 13 -2.670 16.433 20.071 118 HA HIS 13 HA HIS 13 -1.500 13.823 20.670 119 HB2 HIS 13 HB3 HIS 13 -3.855 14.681 18.997 120 HB3 HIS 13 HB2 HIS 13 -3.210 13.045 18.923 121 HD1 HIS 13 HD1 HIS 13 -3.934 11.440 20.704 122 HD2 HIS 13 HD2 HIS 13 -4.927 15.384 21.590 123 HE1 HIS 13 HE1 HIS 13 -5.416 11.332 22.737 124 HE2 HIS 13 HE2 HIS 13 -5.888 13.736 23.339 125 H GLN 14 H GLN 14 -0.079 12.807 19.406 126 HA GLN 14 HA GLN 14 1.129 14.212 17.218 127 HB2 GLN 14 HB3 GLN 14 1.528 11.390 18.231 128 HB3 GLN 14 HB2 GLN 14 2.516 12.156 16.996 129 HG2 GLN 14 HG3 GLN 14 3.251 13.831 18.597 130 HG3 GLN 14 HG2 GLN 14 2.229 13.106 19.838 131 HE21 GLN 14 HE22 GLN 14 5.135 13.506 19.763 132 HE22 GLN 14 HE21 GLN 14 5.827 11.938 19.983 133 H ASP 15 H ASP 15 0.717 14.028 15.101 134 HA ASP 15 HA ASP 15 -1.634 12.559 14.318 135 HB2 ASP 15 HB3 ASP 15 0.230 14.301 12.691 136 HB3 ASP 15 HB2 ASP 15 -1.277 13.614 12.099 137 H LYS 16 H LYS 16 -1.765 10.958 12.767 138 HA LYS 16 HA LYS 16 0.644 9.390 12.323 139 HB2 LYS 16 HB3 LYS 16 -2.279 8.896 11.737 140 HB3 LYS 16 HB2 LYS 16 -1.007 7.820 11.176 141 HG2 LYS 16 HG3 LYS 16 -0.369 7.305 13.436 142 HG3 LYS 16 HG2 LYS 16 -1.500 8.505 14.068 143 HD2 LYS 16 HD3 LYS 16 -3.379 7.237 13.319 144 HD3 LYS 16 HD2 LYS 16 -2.347 6.138 12.405 145 HE2 LYS 16 HE3 LYS 16 -3.154 5.144 14.506 146 HE3 LYS 16 HE2 LYS 16 -1.397 5.269 14.453 147 HZ1 LYS 16 HZ1 LYS 16 -3.214 7.149 15.873 148 HZ2 LYS 16 HZ2 LYS 16 -1.521 7.229 15.844 149 HZ3 LYS 16 HZ3 LYS 16 -2.290 5.928 16.604 150 H ARG 17 H ARG 17 1.441 8.903 10.229 151 HA ARG 17 HA ARG 17 1.005 11.146 8.424 152 HB2 ARG 17 HB3 ARG 17 3.133 9.008 8.529 153 HB3 ARG 17 HB2 ARG 17 3.047 10.231 7.267 154 HG2 ARG 17 HG3 ARG 17 3.326 11.992 8.904 155 HG3 ARG 17 HG2 ARG 17 3.311 10.808 10.212 156 HD2 ARG 17 HD3 ARG 17 5.361 9.828 9.408 157 HD3 ARG 17 HD2 ARG 17 5.347 10.878 7.991 158 HE ARG 17 HE ARG 17 5.422 12.717 9.861 159 HH11 ARG 17 HH11 ARG 17 7.109 9.639 9.873 160 HH12 ARG 17 HH12 ARG 17 8.498 10.265 10.720 161 HH21 ARG 17 HH22 ARG 17 7.232 13.531 10.977 162 HH22 ARG 17 HH21 ARG 17 8.569 12.483 11.341 163 H VAL 18 H VAL 18 0.880 10.794 6.101 164 HA VAL 18 HA VAL 18 -1.340 9.152 5.529 165 HB VAL 18 HB VAL 18 -0.984 9.806 3.153 166 HG11 VAL 18 HG11 VAL 18 -0.901 12.031 5.186 167 HG12 VAL 18 HG12 VAL 18 -2.337 11.180 4.616 168 HG13 VAL 18 HG13 VAL 18 -1.419 12.201 3.509 169 HG21 VAL 18 HG21 VAL 18 0.750 11.463 2.633 170 HG22 VAL 18 HG22 VAL 18 1.449 9.927 3.145 171 HG23 VAL 18 HG23 VAL 18 1.399 11.289 4.263 172 H HIS 19 H HIS 19 1.940 8.359 5.655 173 HA HIS 19 HA HIS 19 2.129 6.501 3.543 174 HB2 HIS 19 HB3 HIS 19 3.958 7.515 5.167 175 HB3 HIS 19 HB2 HIS 19 3.617 6.062 6.101 176 HD1 HIS 19 HD1 HIS 19 5.732 4.757 5.658 177 HD2 HIS 19 HD2 HIS 19 3.934 6.158 2.178 178 HE1 HIS 19 HE1 HIS 19 7.010 3.713 3.761 179 HE2 HIS 19 HE2 HIS 19 6.095 4.826 1.687 180 H GLU 20 H GLU 20 0.751 6.366 6.722 181 HA GLU 20 HA GLU 20 0.283 3.497 6.579 182 HB2 GLU 20 HB3 GLU 20 -0.018 5.614 8.653 183 HB3 GLU 20 HB2 GLU 20 -1.060 4.205 8.774 184 HG2 GLU 20 HG3 GLU 20 1.026 4.080 10.118 185 HG3 GLU 20 HG2 GLU 20 0.798 2.745 8.993 186 H LEU 21 H LEU 21 -1.627 6.499 6.728 187 HA LEU 21 HA LEU 21 -4.113 5.127 6.701 188 HB2 LEU 21 HB3 LEU 21 -3.427 8.027 6.313 189 HB3 LEU 21 HB2 LEU 21 -5.074 7.431 6.265 190 HG LEU 21 HG LEU 21 -4.679 6.539 8.615 191 HD11 LEU 21 HD11 LEU 21 -2.312 8.395 8.461 192 HD12 LEU 21 HD12 LEU 21 -2.242 6.639 8.607 193 HD13 LEU 21 HD13 LEU 21 -2.923 7.608 9.915 194 HD21 LEU 21 HD21 LEU 21 -4.591 9.513 8.137 195 HD22 LEU 21 HD22 LEU 21 -5.096 8.726 9.633 196 HD23 LEU 21 HD23 LEU 21 -6.034 8.500 8.157 197 H ALA 22 H ALA 22 -2.328 6.869 4.181 198 HA ALA 22 HA ALA 22 -4.400 6.733 2.255 199 HB1 ALA 22 HB1 ALA 22 -2.714 7.380 0.625 200 HB2 ALA 22 HB2 ALA 22 -1.437 7.032 1.790 201 HB3 ALA 22 HB3 ALA 22 -2.571 8.348 2.092 202 H ARG 23 H ARG 23 -1.918 4.541 3.242 203 HA ARG 23 HA ARG 23 -1.914 2.775 1.056 204 HB2 ARG 23 HB3 ARG 23 -0.184 2.707 2.742 205 HB3 ARG 23 HB2 ARG 23 -1.359 2.343 3.994 206 HG2 ARG 23 HG3 ARG 23 -1.740 0.158 3.082 207 HG3 ARG 23 HG2 ARG 23 -0.723 0.522 1.684 208 HD2 ARG 23 HD3 ARG 23 0.424 -0.844 3.407 209 HD3 ARG 23 HD2 ARG 23 1.227 0.690 3.077 210 HE ARG 23 HE ARG 23 -0.548 0.347 5.403 211 HH11 ARG 23 HH11 ARG 23 2.514 1.276 4.014 212 HH12 ARG 23 HH12 ARG 23 3.164 1.894 5.500 213 HH21 ARG 23 HH22 ARG 23 0.307 1.169 7.379 214 HH22 ARG 23 HH21 ARG 23 1.900 1.867 7.399 215 H VAL 24 H VAL 24 -3.782 2.769 4.077 216 HA VAL 24 HA VAL 24 -5.346 0.491 3.404 217 HB VAL 24 HB VAL 24 -5.886 2.701 5.401 218 HG11 VAL 24 HG11 VAL 24 -7.245 0.019 5.108 219 HG12 VAL 24 HG12 VAL 24 -7.967 1.588 4.752 220 HG13 VAL 24 HG13 VAL 24 -7.517 1.180 6.408 221 HG21 VAL 24 HG21 VAL 24 -5.137 1.053 7.054 222 HG22 VAL 24 HG22 VAL 24 -3.871 1.425 5.882 223 HG23 VAL 24 HG23 VAL 24 -4.779 -0.082 5.752 224 H LYS 25 H LYS 25 -5.790 3.978 3.068 225 HA LYS 25 HA LYS 25 -8.443 3.991 2.198 226 HB2 LYS 25 HB3 LYS 25 -7.071 6.000 2.839 227 HB3 LYS 25 HB2 LYS 25 -6.273 5.888 1.278 228 HG2 LYS 25 HG3 LYS 25 -9.251 6.078 1.414 229 HG3 LYS 25 HG2 LYS 25 -8.265 7.524 1.618 230 HD2 LYS 25 HD3 LYS 25 -7.300 7.255 -0.556 231 HD3 LYS 25 HD2 LYS 25 -8.032 5.659 -0.742 232 HE2 LYS 25 HE3 LYS 25 -10.241 6.636 -0.790 233 HE3 LYS 25 HE2 LYS 25 -9.574 8.236 -0.463 234 HZ1 LYS 25 HZ1 LYS 25 -10.134 7.802 -2.833 235 HZ2 LYS 25 HZ2 LYS 25 -8.899 6.640 -2.876 236 HZ3 LYS 25 HZ3 LYS 25 -8.521 8.263 -2.576 237 H PHE 26 H PHE 26 -5.428 3.573 0.367 238 HA PHE 26 HA PHE 26 -6.587 3.510 -2.187 239 HB2 PHE 26 HB3 PHE 26 -4.187 3.672 -1.987 240 HB3 PHE 26 HB2 PHE 26 -4.105 2.126 -1.145 241 HD1 PHE 26 HD1 PHE 26 -5.155 3.618 -4.395 242 HD2 PHE 26 HD2 PHE 26 -3.697 0.192 -2.335 243 HE1 PHE 26 HE1 PHE 26 -4.896 2.440 -6.542 244 HE2 PHE 26 HE2 PHE 26 -3.432 -0.988 -4.473 245 HZ PHE 26 HZ PHE 26 -4.042 0.126 -6.582 246 H MET 27 H MET 27 -5.778 0.811 0.001 247 HA MET 27 HA MET 27 -6.845 -1.256 -1.545 248 HB2 MET 27 HB3 MET 27 -6.535 -0.942 1.432 249 HB3 MET 27 HB2 MET 27 -7.166 -2.415 0.708 250 HG2 MET 27 HG3 MET 27 -5.101 -2.701 -0.542 251 HG3 MET 27 HG2 MET 27 -4.469 -1.204 0.141 252 HE1 MET 27 HE1 MET 27 -2.312 -2.787 0.732 253 HE2 MET 27 HE2 MET 27 -3.162 -4.234 0.191 254 HE3 MET 27 HE3 MET 27 -2.421 -4.193 1.791 255 H GLN 28 H GLN 28 -8.397 0.718 0.951 256 HA GLN 28 HA GLN 28 -10.928 -0.451 0.909 257 HB2 GLN 28 HB3 GLN 28 -10.246 1.149 2.611 258 HB3 GLN 28 HB2 GLN 28 -10.133 2.422 1.405 259 HG2 GLN 28 HG3 GLN 28 -12.579 2.135 0.992 260 HG3 GLN 28 HG2 GLN 28 -12.618 1.038 2.373 261 HE21 GLN 28 HE22 GLN 28 -13.977 2.350 3.561 262 HE22 GLN 28 HE21 GLN 28 -13.440 3.841 4.262 263 H ASP 29 H ASP 29 -9.769 2.402 -0.854 264 HA ASP 29 HA ASP 29 -12.149 2.950 -2.212 265 HB2 ASP 29 HB3 ASP 29 -10.356 4.579 -2.034 266 HB3 ASP 29 HB2 ASP 29 -9.299 3.562 -3.008 267 H VAL 30 H VAL 30 -9.419 0.893 -3.108 268 HA VAL 30 HA VAL 30 -10.206 0.311 -5.739 269 HB VAL 30 HB VAL 30 -8.589 -1.282 -3.748 270 HG11 VAL 30 HG11 VAL 30 -7.884 -2.709 -5.604 271 HG12 VAL 30 HG12 VAL 30 -9.029 -1.894 -6.670 272 HG13 VAL 30 HG13 VAL 30 -9.617 -2.853 -5.311 273 HG21 VAL 30 HG21 VAL 30 -6.721 -0.600 -5.183 274 HG22 VAL 30 HG22 VAL 30 -7.584 0.789 -4.522 275 HG23 VAL 30 HG23 VAL 30 -7.842 0.306 -6.199 276 H VAL 31 H VAL 31 -11.055 -1.240 -2.674 277 HA VAL 31 HA VAL 31 -12.615 -3.317 -3.870 278 HB VAL 31 HB VAL 31 -12.716 -2.270 -1.032 279 HG11 VAL 31 HG11 VAL 31 -14.676 -3.591 -1.610 280 HG12 VAL 31 HG12 VAL 31 -13.647 -4.460 -0.471 281 HG13 VAL 31 HG13 VAL 31 -13.640 -4.900 -2.179 282 HG21 VAL 31 HG21 VAL 31 -10.467 -2.997 -1.610 283 HG22 VAL 31 HG22 VAL 31 -11.102 -4.536 -2.191 284 HG23 VAL 31 HG23 VAL 31 -11.214 -4.126 -0.480 285 H ASN 32 H ASN 32 -13.271 -0.107 -2.617 286 HA ASN 32 HA ASN 32 -16.121 -0.472 -2.561 287 HB2 ASN 32 HB3 ASN 32 -14.326 1.903 -2.086 288 HB3 ASN 32 HB2 ASN 32 -16.080 2.039 -2.079 289 HD21 ASN 32 HD22 ASN 32 -16.051 2.689 0.078 290 HD22 ASN 32 HD21 ASN 32 -15.770 1.562 1.364 291 H SER 33 H SER 33 -13.829 0.440 -4.915 292 HA SER 33 HA SER 33 -15.896 1.735 -6.528 293 HB2 SER 33 HB3 SER 33 -14.031 2.384 -8.040 294 HB3 SER 33 HB2 SER 33 -13.797 2.979 -6.396 295 HG SER 33 HG SER 33 -12.227 1.517 -6.060 296 H ASP 34 H ASP 34 -15.840 1.109 -8.925 297 HA ASP 34 HA ASP 34 -16.303 -1.706 -9.068 298 HB2 ASP 34 HB3 ASP 34 -16.293 0.449 -11.189 299 HB3 ASP 34 HB2 ASP 34 -16.706 -1.232 -11.515 300 H THR 35 H THR 35 -13.491 -0.065 -9.038 301 HA THR 35 HA THR 35 -11.878 -1.111 -11.033 302 HB THR 35 HB THR 35 -11.065 -0.710 -8.146 303 HG1 THR 35 HG1 THR 35 -11.604 1.307 -8.502 304 HG21 THR 35 HG21 THR 35 -9.374 -1.795 -9.565 305 HG22 THR 35 HG22 THR 35 -8.873 -0.173 -9.087 306 HG23 THR 35 HG23 THR 35 -9.490 -0.462 -10.714 307 H PHE 36 H PHE 36 -12.401 -2.425 -7.754 308 HA PHE 36 HA PHE 36 -12.150 -5.129 -8.864 309 HB2 PHE 36 HB3 PHE 36 -10.572 -3.972 -6.585 310 HB3 PHE 36 HB2 PHE 36 -10.958 -5.689 -6.611 311 HD1 PHE 36 HD1 PHE 36 -9.992 -7.157 -8.275 312 HD2 PHE 36 HD2 PHE 36 -9.004 -3.022 -8.157 313 HE1 PHE 36 HE1 PHE 36 -8.059 -7.583 -9.736 314 HE2 PHE 36 HE2 PHE 36 -7.068 -3.437 -9.618 315 HZ PHE 36 HZ PHE 36 -6.595 -5.721 -10.409 316 H LYS 37 H LYS 37 -14.386 -3.441 -8.046 317 HA LYS 37 HA LYS 37 -15.470 -4.129 -5.577 318 HB2 LYS 37 HB3 LYS 37 -16.328 -2.367 -7.105 319 HB3 LYS 37 HB2 LYS 37 -16.943 -3.617 -8.170 320 HG2 LYS 37 HG3 LYS 37 -17.838 -3.594 -5.334 321 HG3 LYS 37 HG2 LYS 37 -18.497 -2.398 -6.450 322 HD2 LYS 37 HD3 LYS 37 -19.089 -4.297 -7.982 323 HD3 LYS 37 HD2 LYS 37 -18.627 -5.400 -6.683 324 HE2 LYS 37 HE3 LYS 37 -20.730 -3.257 -6.476 325 HE3 LYS 37 HE2 LYS 37 -21.057 -4.964 -6.771 326 HZ1 LYS 37 HZ1 LYS 37 -19.946 -5.443 -4.622 327 HZ2 LYS 37 HZ2 LYS 37 -21.352 -4.509 -4.457 328 HZ3 LYS 37 HZ3 LYS 37 -19.833 -3.774 -4.340 329 H GLY 38 H GLY 38 -15.386 -5.883 -8.609 330 HA2 GLY 38 HA3 GLY 38 -17.238 -7.916 -7.883 331 HA3 GLY 38 HA2 GLY 38 -16.045 -8.013 -9.168 332 H GLN 39 H GLN 39 -14.028 -7.311 -6.897 333 HA GLN 39 HA GLN 39 -13.635 -10.109 -6.097 334 HB2 GLN 39 HB3 GLN 39 -11.643 -7.830 -6.098 335 HB3 GLN 39 HB2 GLN 39 -11.291 -9.519 -5.751 336 HG2 GLN 39 HG3 GLN 39 -12.229 -8.396 -8.382 337 HG3 GLN 39 HG2 GLN 39 -10.598 -8.943 -7.997 338 HE21 GLN 39 HE22 GLN 39 -12.582 -9.826 -10.013 339 HE22 GLN 39 HE21 GLN 39 -12.771 -11.528 -9.755 340 HA PRO 40 HA PRO 40 -14.896 -8.566 -2.103 341 HB2 PRO 40 HB2 PRO 40 -15.146 -10.971 -0.907 342 HB3 PRO 40 HB3 PRO 40 -16.341 -10.356 -2.055 343 HG2 PRO 40 HG3 PRO 40 -14.157 -12.351 -2.476 344 HG3 PRO 40 HG2 PRO 40 -15.814 -12.352 -3.106 345 HD2 PRO 40 HD3 PRO 40 -13.610 -11.570 -4.550 346 HD3 PRO 40 HD2 PRO 40 -15.264 -11.015 -4.876 347 H ILE 41 H ILE 41 -12.461 -11.131 -2.432 348 HA ILE 41 HA ILE 41 -10.933 -9.911 -0.238 349 HB ILE 41 HB ILE 41 -11.265 -12.893 -0.648 350 HG12 ILE 41 HG13 ILE 41 -13.373 -11.883 0.140 351 HG13 ILE 41 HG12 ILE 41 -12.640 -12.903 1.372 352 HG21 ILE 41 HG21 ILE 41 -10.149 -13.100 1.498 353 HG22 ILE 41 HG22 ILE 41 -10.018 -11.344 1.616 354 HG23 ILE 41 HG23 ILE 41 -9.139 -12.212 0.355 355 HD11 ILE 41 HD11 ILE 41 -11.793 -10.924 2.509 356 HD12 ILE 41 HD12 ILE 41 -13.545 -10.864 2.327 357 HD13 ILE 41 HD13 ILE 41 -12.515 -9.900 1.268 358 H PHE 42 H PHE 42 -8.644 -10.221 -0.400 359 HA PHE 42 HA PHE 42 -7.760 -11.075 -3.076 360 HB2 PHE 42 HB3 PHE 42 -6.592 -8.928 -1.293 361 HB3 PHE 42 HB2 PHE 42 -5.882 -9.468 -2.811 362 HD1 PHE 42 HD2 PHE 42 -6.969 -8.955 -4.941 363 HD2 PHE 42 HD1 PHE 42 -8.494 -7.483 -1.252 364 HE1 PHE 42 HE2 PHE 42 -8.330 -7.311 -6.164 365 HE2 PHE 42 HE1 PHE 42 -9.856 -5.839 -2.468 366 HZ PHE 42 HZ PHE 42 -9.776 -5.749 -4.926 367 H ASP 43 H ASP 43 -5.074 -11.160 -2.701 368 HA ASP 43 HA ASP 43 -4.656 -13.021 -0.471 369 HB2 ASP 43 HB3 ASP 43 -3.658 -14.650 -1.839 370 HB3 ASP 43 HB2 ASP 43 -5.073 -14.145 -2.759 371 H HIS 44 H HIS 44 -2.039 -13.636 -0.854 372 HA HIS 44 HA HIS 44 -0.806 -11.155 -0.087 373 HB2 HIS 44 HB3 HIS 44 0.173 -13.997 -0.189 374 HB3 HIS 44 HB2 HIS 44 1.248 -12.658 0.200 375 HD1 HIS 44 HD1 HIS 44 1.607 -13.511 2.616 376 HD2 HIS 44 HD2 HIS 44 -2.361 -12.662 1.696 377 HE1 HIS 44 HE1 HIS 44 0.388 -13.500 4.812 378 HE2 HIS 44 HE2 HIS 44 -2.036 -13.194 4.210 379 H ALA 45 H ALA 45 -1.009 -12.968 -3.022 380 HA ALA 45 HA ALA 45 1.303 -11.817 -4.256 381 HB1 ALA 45 HB1 ALA 45 0.350 -12.583 -6.365 382 HB2 ALA 45 HB2 ALA 45 -1.181 -12.932 -5.561 383 HB3 ALA 45 HB3 ALA 45 0.263 -13.854 -5.145 384 H HIS 46 H HIS 46 -2.161 -11.031 -4.181 385 HA HIS 46 HA HIS 46 -1.901 -8.594 -5.630 386 HB2 HIS 46 HB3 HIS 46 -4.015 -9.585 -3.721 387 HB3 HIS 46 HB2 HIS 46 -4.106 -8.004 -4.487 388 HD1 HIS 46 HD1 HIS 46 -3.984 -8.165 -7.269 389 HD2 HIS 46 HD2 HIS 46 -5.215 -11.535 -5.147 390 HE1 HIS 46 HE1 HIS 46 -5.228 -9.605 -8.921 391 HE2 HIS 46 HE2 HIS 46 -6.064 -11.578 -7.587 392 H THR 47 H THR 47 -1.286 -9.508 -2.348 393 HA THR 47 HA THR 47 -1.208 -7.046 -1.066 394 HB THR 47 HB THR 47 0.587 -9.454 -0.758 395 HG1 THR 47 HG1 THR 47 -1.882 -8.967 0.003 396 HG21 THR 47 HG21 THR 47 1.332 -8.483 1.379 397 HG22 THR 47 HG22 THR 47 0.467 -6.993 0.993 398 HG23 THR 47 HG23 THR 47 1.833 -7.504 -0.002 399 H ARG 48 H ARG 48 1.601 -8.698 -2.572 400 HA ARG 48 HA ARG 48 3.286 -6.468 -2.486 401 HB2 ARG 48 HB3 ARG 48 4.250 -8.624 -2.915 402 HB3 ARG 48 HB2 ARG 48 3.294 -8.820 -4.382 403 HG2 ARG 48 HG3 ARG 48 4.501 -7.011 -5.449 404 HG3 ARG 48 HG2 ARG 48 5.410 -6.716 -3.968 405 HD2 ARG 48 HD3 ARG 48 6.480 -8.861 -4.141 406 HD3 ARG 48 HD2 ARG 48 5.471 -9.295 -5.522 407 HE ARG 48 HE ARG 48 6.802 -8.018 -6.891 408 HH11 ARG 48 HH11 ARG 48 7.642 -7.415 -3.539 409 HH12 ARG 48 HH12 ARG 48 9.013 -6.422 -3.928 410 HH21 ARG 48 HH22 ARG 48 8.640 -6.726 -7.401 411 HH22 ARG 48 HH21 ARG 48 9.569 -6.023 -6.106 412 H GLU 49 H GLU 49 0.985 -7.503 -4.926 413 HA GLU 49 HA GLU 49 1.596 -5.807 -7.013 414 HB2 GLU 49 HB3 GLU 49 -0.069 -7.569 -7.166 415 HB3 GLU 49 HB2 GLU 49 -1.105 -6.729 -6.025 416 HG2 GLU 49 HG3 GLU 49 -1.480 -4.953 -7.609 417 HG3 GLU 49 HG2 GLU 49 -0.341 -5.685 -8.740 418 H PHE 50 H PHE 50 -0.738 -5.158 -4.384 419 HA PHE 50 HA PHE 50 -1.056 -2.439 -5.235 420 HB2 PHE 50 HB3 PHE 50 -2.098 -3.981 -2.869 421 HB3 PHE 50 HB2 PHE 50 -2.426 -2.266 -3.099 422 HD1 PHE 50 HD1 PHE 50 -2.681 -2.301 -6.097 423 HD2 PHE 50 HD2 PHE 50 -4.285 -4.850 -3.091 424 HE1 PHE 50 HE1 PHE 50 -4.577 -2.827 -7.565 425 HE2 PHE 50 HE2 PHE 50 -6.189 -5.384 -4.560 426 HZ PHE 50 HZ PHE 50 -6.333 -4.362 -6.800 427 H ILE 51 H ILE 51 0.704 -4.066 -2.635 428 HA ILE 51 HA ILE 51 1.419 -1.763 -1.195 429 HB ILE 51 HB ILE 51 2.771 -4.444 -1.416 430 HG12 ILE 51 HG13 ILE 51 0.616 -4.435 -0.278 431 HG13 ILE 51 HG12 ILE 51 1.907 -4.702 0.888 432 HG21 ILE 51 HG21 ILE 51 4.148 -3.787 0.512 433 HG22 ILE 51 HG22 ILE 51 3.516 -2.145 0.389 434 HG23 ILE 51 HG23 ILE 51 4.496 -2.812 -0.916 435 HD11 ILE 51 HD11 ILE 51 1.774 -2.353 1.559 436 HD12 ILE 51 HD12 ILE 51 0.236 -3.187 1.772 437 HD13 ILE 51 HD13 ILE 51 0.468 -2.102 0.400 438 H GLN 52 H GLN 52 3.131 -3.487 -3.798 439 HA GLN 52 HA GLN 52 5.384 -1.783 -3.794 440 HB2 GLN 52 HB3 GLN 52 5.418 -4.028 -4.804 441 HB3 GLN 52 HB2 GLN 52 4.305 -3.483 -6.052 442 HG2 GLN 52 HG3 GLN 52 6.592 -3.553 -6.871 443 HG3 GLN 52 HG2 GLN 52 5.962 -1.907 -6.871 444 HE21 GLN 52 HE22 GLN 52 7.966 -0.954 -6.816 445 HE22 GLN 52 HE21 GLN 52 8.985 -0.998 -5.419 446 H SER 53 H SER 53 2.340 -1.721 -5.613 447 HA SER 53 HA SER 53 2.990 0.411 -7.317 448 HB2 SER 53 HB3 SER 53 0.290 -0.370 -6.188 449 HB3 SER 53 HB2 SER 53 0.546 0.714 -7.556 450 HG SER 53 HG SER 53 0.989 -2.067 -7.368 451 H PHE 54 H PHE 54 1.720 0.367 -4.021 452 HA PHE 54 HA PHE 54 1.164 3.118 -3.796 453 HB2 PHE 54 HB3 PHE 54 0.301 1.466 -2.208 454 HB3 PHE 54 HB2 PHE 54 1.935 1.125 -1.651 455 HD1 PHE 54 HD2 PHE 54 -0.541 3.890 -1.927 456 HD2 PHE 54 HD1 PHE 54 2.807 2.284 0.155 457 HE1 PHE 54 HE2 PHE 54 -0.757 5.654 -0.225 458 HE2 PHE 54 HE1 PHE 54 2.594 4.045 1.859 459 HZ PHE 54 HZ PHE 54 0.812 5.732 1.669 460 H ILE 55 H ILE 55 4.090 1.243 -3.142 461 HA ILE 55 HA ILE 55 5.576 3.490 -2.160 462 HB ILE 55 HB ILE 55 6.645 0.864 -3.210 463 HG12 ILE 55 HG13 ILE 55 5.897 1.653 -0.384 464 HG13 ILE 55 HG12 ILE 55 5.023 0.510 -1.398 465 HG21 ILE 55 HG21 ILE 55 8.595 1.380 -1.815 466 HG22 ILE 55 HG22 ILE 55 7.870 2.929 -1.383 467 HG23 ILE 55 HG23 ILE 55 8.332 2.607 -3.054 468 HD11 ILE 55 HD11 ILE 55 6.964 -0.966 -1.407 469 HD12 ILE 55 HD12 ILE 55 6.402 -0.637 0.232 470 HD13 ILE 55 HD13 ILE 55 7.837 0.179 -0.388 471 H GLU 56 H GLU 56 5.594 1.616 -5.170 472 HA GLU 56 HA GLU 56 7.665 3.160 -6.370 473 HB2 GLU 56 HB3 GLU 56 6.972 0.716 -6.812 474 HB3 GLU 56 HB2 GLU 56 5.747 1.401 -7.870 475 HG2 GLU 56 HG3 GLU 56 7.519 2.522 -9.154 476 HG3 GLU 56 HG2 GLU 56 8.724 1.752 -8.120 477 H ARG 57 H ARG 57 4.465 3.880 -5.833 478 HA ARG 57 HA ARG 57 3.638 5.332 -8.035 479 HB2 ARG 57 HB3 ARG 57 2.225 5.090 -6.086 480 HB3 ARG 57 HB2 ARG 57 3.371 5.978 -5.091 481 HG2 ARG 57 HG3 ARG 57 2.954 7.972 -6.545 482 HG3 ARG 57 HG2 ARG 57 1.662 7.053 -7.319 483 HD2 ARG 57 HD3 ARG 57 1.786 7.522 -4.351 484 HD3 ARG 57 HD2 ARG 57 0.972 8.623 -5.460 485 HE ARG 57 HE ARG 57 0.128 5.859 -5.643 486 HH11 ARG 57 HH11 ARG 57 -0.372 8.970 -4.124 487 HH12 ARG 57 HH12 ARG 57 -2.053 8.682 -3.781 488 HH21 ARG 57 HH22 ARG 57 -2.080 5.456 -5.193 489 HH22 ARG 57 HH21 ARG 57 -3.023 6.671 -4.378 490 H ASP 58 H ASP 58 6.258 5.926 -5.853 491 HA ASP 58 HA ASP 58 6.651 8.679 -6.281 492 HB2 ASP 58 HB3 ASP 58 8.744 8.413 -5.256 493 HB3 ASP 58 HB2 ASP 58 7.790 7.109 -4.560 494 H ASP 59 H ASP 59 7.473 5.847 -8.170 495 HA ASP 59 HA ASP 59 9.363 7.156 -9.858 496 HB2 ASP 59 HB3 ASP 59 9.283 4.682 -9.509 497 HB3 ASP 59 HB2 ASP 59 7.796 4.641 -10.452 498 H THR 60 H THR 60 5.904 6.634 -9.946 499 HA THR 60 HA THR 60 5.425 7.542 -12.570 500 HB THR 60 HB THR 60 3.589 7.977 -10.208 501 HG1 THR 60 HG1 THR 60 3.249 5.681 -11.720 502 HG21 THR 60 HG21 THR 60 1.825 7.699 -11.880 503 HG22 THR 60 HG22 THR 60 3.043 7.457 -13.133 504 HG23 THR 60 HG23 THR 60 2.911 9.018 -12.323 505 H GLU 61 H GLU 61 5.902 9.162 -9.504 506 HA GLU 61 HA GLU 61 5.306 11.791 -10.505 507 HB2 GLU 61 HB3 GLU 61 4.966 11.109 -8.143 508 HB3 GLU 61 HB2 GLU 61 6.702 10.920 -7.966 509 HG2 GLU 61 HG3 GLU 61 7.065 13.248 -8.193 510 HG3 GLU 61 HG2 GLU 61 5.401 13.522 -8.714 511 H LEU 62 H LEU 62 8.168 9.873 -9.800 512 HA LEU 62 HA LEU 62 10.119 11.808 -10.398 513 HB2 LEU 62 HB3 LEU 62 10.547 9.673 -9.218 514 HB3 LEU 62 HB2 LEU 62 10.265 8.805 -10.714 515 HG LEU 62 HG LEU 62 12.228 9.907 -11.716 516 HD11 LEU 62 HD11 LEU 62 12.210 11.972 -10.447 517 HD12 LEU 62 HD12 LEU 62 13.767 11.161 -10.276 518 HD13 LEU 62 HD13 LEU 62 12.586 11.090 -8.968 519 HD21 LEU 62 HD21 LEU 62 13.924 8.713 -10.434 520 HD22 LEU 62 HD22 LEU 62 12.468 7.736 -10.621 521 HD23 LEU 62 HD23 LEU 62 12.799 8.542 -9.087 522 H ASP 63 H ASP 63 8.198 9.687 -12.399 523 HA ASP 63 HA ASP 63 9.648 9.866 -14.788 524 HB2 ASP 63 HB3 ASP 63 7.924 8.227 -14.630 525 HB3 ASP 63 HB2 ASP 63 6.704 9.447 -14.271 526 H GLU 64 H GLU 64 7.287 12.067 -13.354 527 HA GLU 64 HA GLU 64 7.061 13.742 -15.629 528 HB2 GLU 64 HB3 GLU 64 6.589 14.287 -12.700 529 HB3 GLU 64 HB2 GLU 64 6.299 15.483 -13.957 530 HG2 GLU 64 HG3 GLU 64 4.783 13.746 -15.034 531 HG3 GLU 64 HG2 GLU 64 4.894 12.873 -13.506 532 H LEU 65 H LEU 65 9.385 13.547 -13.014 533 HA LEU 65 HA LEU 65 10.744 15.974 -13.675 534 HB2 LEU 65 HB3 LEU 65 11.774 13.530 -12.224 535 HB3 LEU 65 HB2 LEU 65 12.566 15.093 -12.277 536 HG LEU 65 HG LEU 65 9.926 14.470 -10.953 537 HD11 LEU 65 HD11 LEU 65 11.128 15.020 -8.892 538 HD12 LEU 65 HD12 LEU 65 12.615 15.226 -9.819 539 HD13 LEU 65 HD13 LEU 65 11.849 13.640 -9.722 540 HD21 LEU 65 HD21 LEU 65 10.012 16.792 -10.152 541 HD22 LEU 65 HD22 LEU 65 9.869 16.700 -11.907 542 HD23 LEU 65 HD23 LEU 65 11.424 17.079 -11.168 543 H LYS 66 H LYS 66 11.080 12.583 -14.557 544 HA LYS 66 HA LYS 66 13.374 12.828 -16.191 545 HB2 LYS 66 HB3 LYS 66 11.082 10.881 -16.538 546 HB3 LYS 66 HB2 LYS 66 12.726 10.684 -17.125 547 HG2 LYS 66 HG3 LYS 66 13.555 10.462 -14.876 548 HG3 LYS 66 HG2 LYS 66 11.957 10.817 -14.218 549 HD2 LYS 66 HD3 LYS 66 11.109 8.788 -15.436 550 HD3 LYS 66 HD2 LYS 66 12.786 8.402 -15.822 551 HE2 LYS 66 HE3 LYS 66 13.304 8.341 -13.417 552 HE3 LYS 66 HE2 LYS 66 11.612 8.672 -13.057 553 HZ1 LYS 66 HZ1 LYS 66 12.752 6.249 -14.323 554 HZ2 LYS 66 HZ2 LYS 66 11.088 6.584 -14.318 555 HZ3 LYS 66 HZ3 LYS 66 11.910 6.358 -12.856 556 H LYS 67 H LYS 67 10.039 13.566 -16.632 557 HA LYS 67 HA LYS 67 10.024 13.712 -19.480 558 HB2 LYS 67 HB3 LYS 67 8.000 13.326 -18.135 559 HB3 LYS 67 HB2 LYS 67 8.169 14.920 -17.421 560 HG2 LYS 67 HG3 LYS 67 7.856 15.917 -19.654 561 HG3 LYS 67 HG2 LYS 67 7.586 14.298 -20.306 562 HD2 LYS 67 HD3 LYS 67 5.687 14.016 -18.768 563 HD3 LYS 67 HD2 LYS 67 5.947 15.653 -18.165 564 HE2 LYS 67 HE3 LYS 67 5.263 14.902 -21.002 565 HE3 LYS 67 HE2 LYS 67 4.145 15.570 -19.815 566 HZ1 LYS 67 HZ1 LYS 67 5.002 17.250 -21.349 567 HZ2 LYS 67 HZ2 LYS 67 6.583 16.942 -20.817 568 HZ3 LYS 67 HZ3 LYS 67 5.437 17.590 -19.745 569 H LYS 68 H LYS 68 10.235 16.095 -16.864 570 HA LYS 68 HA LYS 68 10.343 18.346 -18.619 571 HB2 LYS 68 HB3 LYS 68 11.074 18.171 -15.688 572 HB3 LYS 68 HB2 LYS 68 10.746 19.646 -16.594 573 HG2 LYS 68 HG3 LYS 68 8.460 18.958 -16.957 574 HG3 LYS 68 HG2 LYS 68 8.769 17.423 -16.148 575 HD2 LYS 68 HD3 LYS 68 9.363 18.763 -14.094 576 HD3 LYS 68 HD2 LYS 68 8.728 20.179 -14.941 577 HE2 LYS 68 HE3 LYS 68 6.578 19.012 -15.228 578 HE3 LYS 68 HE2 LYS 68 7.215 17.646 -14.317 579 HZ1 LYS 68 HZ1 LYS 68 6.442 20.315 -13.369 580 HZ2 LYS 68 HZ2 LYS 68 7.639 19.456 -12.521 581 HZ3 LYS 68 HZ3 LYS 68 6.092 18.793 -12.717 582 H ARG 69 H ARG 69 12.584 16.033 -17.803 583 HA ARG 69 HA ARG 69 15.013 17.401 -17.825 584 HB2 ARG 69 HB3 ARG 69 14.954 15.055 -17.328 585 HB3 ARG 69 HB2 ARG 69 14.237 14.683 -18.888 586 HG2 ARG 69 HG3 ARG 69 16.346 15.485 -19.956 587 HG3 ARG 69 HG2 ARG 69 17.042 15.612 -18.339 588 HD2 ARG 69 HD3 ARG 69 17.598 13.489 -19.500 589 HD3 ARG 69 HD2 ARG 69 16.761 13.261 -17.965 590 HE ARG 69 HE ARG 69 14.835 12.577 -19.139 591 HH11 ARG 69 HH11 ARG 69 17.481 13.344 -21.297 592 HH12 ARG 69 HH12 ARG 69 16.842 12.420 -22.622 593 HH21 ARG 69 HH22 ARG 69 13.982 11.354 -20.871 594 HH22 ARG 69 HH21 ARG 69 14.853 11.290 -22.382 595 H ARG 70 H ARG 70 12.800 16.567 -20.417 596 HA ARG 70 HA ARG 70 14.633 17.305 -22.511 597 HB2 ARG 70 HB3 ARG 70 11.666 16.765 -22.578 598 HB3 ARG 70 HB2 ARG 70 12.642 17.105 -23.999 599 HG2 ARG 70 HG3 ARG 70 14.069 15.091 -23.113 600 HG3 ARG 70 HG2 ARG 70 12.563 14.676 -22.289 601 HD2 ARG 70 HD3 ARG 70 12.964 15.086 -25.247 602 HD3 ARG 70 HD2 ARG 70 12.636 13.562 -24.424 603 HE ARG 70 HE ARG 70 10.415 14.369 -23.950 604 HH11 ARG 70 HH11 ARG 70 12.257 16.329 -26.201 605 HH12 ARG 70 HH12 ARG 70 10.844 16.994 -26.971 606 HH21 ARG 70 HH22 ARG 70 8.558 15.228 -24.980 607 HH22 ARG 70 HH21 ARG 70 8.750 16.358 -26.286 608 H SER 71 H SER 71 12.622 19.000 -20.391 609 HA SER 71 HA SER 71 12.196 21.283 -22.088 610 HB2 SER 71 HB3 SER 71 12.017 21.095 -19.070 611 HB3 SER 71 HB2 SER 71 11.311 22.346 -20.093 612 HG SER 71 HG SER 71 9.800 20.964 -20.795 613 H ASN 72 H ASN 72 14.870 19.959 -20.857 614 HA ASN 72 HA ASN 72 17.034 20.618 -20.798 615 HB2 ASN 72 HB3 ASN 72 16.211 22.274 -22.616 616 HB3 ASN 72 HB2 ASN 72 16.231 23.473 -21.327 617 HD21 ASN 72 HD22 ASN 72 17.860 24.681 -22.209 618 HD22 ASN 72 HD21 ASN 72 19.502 24.135 -22.311 619 H ARG 73 H ARG 73 15.042 20.781 -18.617 620 HA ARG 73 HA ARG 73 16.762 22.135 -16.720 621 HB2 ARG 73 HB3 ARG 73 15.164 23.864 -17.253 622 HB3 ARG 73 HB2 ARG 73 13.822 22.752 -17.034 623 HG2 ARG 73 HG3 ARG 73 14.320 22.606 -14.651 624 HG3 ARG 73 HG2 ARG 73 15.683 23.707 -14.866 625 HD2 ARG 73 HD3 ARG 73 12.872 24.443 -15.638 626 HD3 ARG 73 HD2 ARG 73 13.509 24.716 -14.017 627 HE ARG 73 HE ARG 73 15.079 26.257 -14.941 628 HH11 ARG 73 HH11 ARG 73 12.662 25.149 -17.226 629 HH12 ARG 73 HH12 ARG 73 12.856 26.516 -18.283 630 HH21 ARG 73 HH22 ARG 73 15.310 28.064 -16.311 631 HH22 ARG 73 HH21 ARG 73 14.356 28.169 -17.764 632 HA PRO 74 HA PRO 74 15.177 18.307 -14.819 633 HB2 PRO 74 HB2 PRO 74 17.531 17.021 -14.566 634 HB3 PRO 74 HB3 PRO 74 16.588 16.971 -16.058 635 HG2 PRO 74 HG3 PRO 74 19.099 18.401 -15.468 636 HG3 PRO 74 HG2 PRO 74 18.444 17.870 -17.024 637 HD2 PRO 74 HD3 PRO 74 18.347 20.490 -15.870 638 HD3 PRO 74 HD2 PRO 74 17.659 19.953 -17.413 639 HA PRO 75 HA PRO 75 16.389 19.931 -10.825 640 HB2 PRO 75 HB2 PRO 75 15.043 17.656 -9.617 641 HB3 PRO 75 HB3 PRO 75 14.562 19.354 -9.615 642 HG2 PRO 75 HG3 PRO 75 13.208 17.420 -10.972 643 HG3 PRO 75 HG2 PRO 75 13.248 19.119 -11.473 644 HD2 PRO 75 HD3 PRO 75 14.808 16.792 -12.531 645 HD3 PRO 75 HD2 PRO 75 14.056 18.141 -13.412 646 H SER 76 H SER 76 18.598 19.492 -10.950 647 HA SER 76 HA SER 76 19.848 17.047 -11.102 648 HB2 SER 76 HB3 SER 76 20.921 19.468 -9.639 649 HB3 SER 76 HB2 SER 76 21.863 18.181 -10.396 650 HG SER 76 HG SER 76 21.816 19.860 -11.832 651 H ASN 77 H ASN 77 18.865 18.789 -8.179 652 HA ASN 77 HA ASN 77 20.054 16.741 -6.491 653 HB2 ASN 77 HB3 ASN 77 20.328 19.026 -5.768 654 HB3 ASN 77 HB2 ASN 77 18.592 19.306 -5.845 655 HD21 ASN 77 HD22 ASN 77 21.179 17.771 -4.084 656 HD22 ASN 77 HD21 ASN 77 20.272 17.475 -2.636 657 H ARG 78 H ARG 78 16.817 18.040 -7.176 658 HA ARG 78 HA ARG 78 15.595 16.457 -5.155 659 HB2 ARG 78 HB3 ARG 78 14.392 18.082 -7.388 660 HB3 ARG 78 HB2 ARG 78 13.457 17.309 -6.113 661 HG2 ARG 78 HG3 ARG 78 14.782 18.615 -4.453 662 HG3 ARG 78 HG2 ARG 78 15.511 19.483 -5.804 663 HD2 ARG 78 HD3 ARG 78 13.340 20.300 -6.493 664 HD3 ARG 78 HD2 ARG 78 12.556 19.357 -5.223 665 HE ARG 78 HE ARG 78 14.469 21.529 -4.636 666 HH11 ARG 78 HH11 ARG 78 11.432 19.874 -4.086 667 HH12 ARG 78 HH12 ARG 78 10.961 20.901 -2.760 668 HH21 ARG 78 HH22 ARG 78 13.861 22.885 -2.892 669 HH22 ARG 78 HH21 ARG 78 12.352 22.603 -2.067 670 H GLN 79 H GLN 79 16.172 15.922 -8.560 671 HA GLN 79 HA GLN 79 14.255 13.837 -8.883 672 HB2 GLN 79 HB3 GLN 79 15.267 15.019 -10.794 673 HB3 GLN 79 HB2 GLN 79 16.839 14.352 -10.382 674 HG2 GLN 79 HG3 GLN 79 16.076 12.125 -10.889 675 HG3 GLN 79 HG2 GLN 79 14.440 12.717 -11.171 676 HE21 GLN 79 HE22 GLN 79 16.289 11.282 -12.951 677 HE22 GLN 79 HE21 GLN 79 16.456 12.294 -14.345 678 H VAL 80 H VAL 80 17.566 13.977 -7.742 679 HA VAL 80 HA VAL 80 17.856 11.130 -7.515 680 HB VAL 80 HB VAL 80 19.465 13.324 -6.187 681 HG11 VAL 80 HG11 VAL 80 19.714 11.166 -5.073 682 HG12 VAL 80 HG12 VAL 80 21.194 11.612 -5.922 683 HG13 VAL 80 HG13 VAL 80 20.108 10.406 -6.614 684 HG21 VAL 80 HG21 VAL 80 19.525 13.512 -8.615 685 HG22 VAL 80 HG22 VAL 80 19.982 11.814 -8.748 686 HG23 VAL 80 HG23 VAL 80 21.082 12.967 -7.992 687 H LEU 81 H LEU 81 17.176 13.812 -5.310 688 HA LEU 81 HA LEU 81 17.083 12.416 -2.904 689 HB2 LEU 81 HB3 LEU 81 17.078 14.873 -3.123 690 HB3 LEU 81 HB2 LEU 81 15.438 14.808 -3.736 691 HG LEU 81 HG LEU 81 14.703 13.860 -1.557 692 HD11 LEU 81 HD11 LEU 81 16.214 13.988 0.354 693 HD12 LEU 81 HD12 LEU 81 17.530 14.481 -0.711 694 HD13 LEU 81 HD13 LEU 81 16.823 12.873 -0.869 695 HD21 LEU 81 HD21 LEU 81 16.134 16.513 -1.430 696 HD22 LEU 81 HD22 LEU 81 14.887 15.964 -0.311 697 HD23 LEU 81 HD23 LEU 81 14.490 16.240 -2.007 698 H LEU 82 H LEU 82 14.518 12.993 -5.277 699 HA LEU 82 HA LEU 82 12.399 11.836 -3.864 700 HB2 LEU 82 HB3 LEU 82 11.990 13.178 -5.805 701 HB3 LEU 82 HB2 LEU 82 12.938 12.110 -6.816 702 HG LEU 82 HG LEU 82 11.246 10.408 -6.724 703 HD11 LEU 82 HD11 LEU 82 9.758 12.236 -4.839 704 HD12 LEU 82 HD12 LEU 82 10.494 10.688 -4.421 705 HD13 LEU 82 HD13 LEU 82 9.125 10.743 -5.535 706 HD21 LEU 82 HD21 LEU 82 10.013 13.110 -7.212 707 HD22 LEU 82 HD22 LEU 82 9.396 11.570 -7.810 708 HD23 LEU 82 HD23 LEU 82 10.955 12.175 -8.372 709 H GLN 83 H GLN 83 14.727 10.386 -6.113 710 HA GLN 83 HA GLN 83 13.651 7.766 -6.012 711 HB2 GLN 83 HB3 GLN 83 15.181 8.586 -7.787 712 HB3 GLN 83 HB2 GLN 83 16.489 8.622 -6.613 713 HG2 GLN 83 HG3 GLN 83 16.142 6.163 -6.286 714 HG3 GLN 83 HG2 GLN 83 15.021 6.211 -7.648 715 HE21 GLN 83 HE22 GLN 83 16.286 4.854 -8.904 716 HE22 GLN 83 HE21 GLN 83 17.784 5.378 -9.608 717 H GLN 84 H GLN 84 15.925 9.513 -3.999 718 HA GLN 84 HA GLN 84 16.995 7.282 -2.631 719 HB2 GLN 84 HB3 GLN 84 16.767 10.175 -1.802 720 HB3 GLN 84 HB2 GLN 84 17.653 8.960 -0.890 721 HG2 GLN 84 HG3 GLN 84 19.105 8.582 -2.832 722 HG3 GLN 84 HG2 GLN 84 18.233 9.838 -3.710 723 HE21 GLN 84 HE22 GLN 84 21.048 9.679 -2.983 724 HE22 GLN 84 HE21 GLN 84 21.381 11.096 -2.036 725 H ARG 85 H ARG 85 14.089 9.200 -2.152 726 HA ARG 85 HA ARG 85 13.482 8.195 0.433 727 HB2 ARG 85 HB3 ARG 85 12.410 10.199 -0.845 728 HB3 ARG 85 HB2 ARG 85 11.346 8.975 -1.528 729 HG2 ARG 85 HG3 ARG 85 10.814 8.281 0.833 730 HG3 ARG 85 HG2 ARG 85 11.671 9.728 1.363 731 HD2 ARG 85 HD3 ARG 85 9.480 10.449 1.295 732 HD3 ARG 85 HD2 ARG 85 10.089 10.958 -0.279 733 HE ARG 85 HE ARG 85 8.975 8.369 -0.495 734 HH11 ARG 85 HH11 ARG 85 8.010 11.716 -0.041 735 HH12 ARG 85 HH12 ARG 85 6.417 11.467 -0.703 736 HH21 ARG 85 HH22 ARG 85 6.916 8.038 -1.335 737 HH22 ARG 85 HH21 ARG 85 5.799 9.364 -1.456 738 H ARG 86 H ARG 86 12.794 7.126 -2.835 739 HA ARG 86 HA ARG 86 11.077 4.997 -2.332 740 HB2 ARG 86 HB3 ARG 86 11.594 5.746 -4.592 741 HB3 ARG 86 HB2 ARG 86 13.267 5.236 -4.406 742 HG2 ARG 86 HG3 ARG 86 12.419 2.893 -4.111 743 HG3 ARG 86 HG2 ARG 86 10.822 3.491 -4.567 744 HD2 ARG 86 HD3 ARG 86 13.335 3.547 -6.230 745 HD3 ARG 86 HD2 ARG 86 11.891 2.575 -6.515 746 HE ARG 86 HE ARG 86 11.089 5.237 -6.458 747 HH11 ARG 86 HH11 ARG 86 13.134 3.190 -8.456 748 HH12 ARG 86 HH12 ARG 86 12.859 4.123 -9.892 749 HH21 ARG 86 HH22 ARG 86 10.782 6.465 -8.278 750 HH22 ARG 86 HH21 ARG 86 11.481 5.982 -9.803 751 H ASP 87 H ASP 87 14.624 5.089 -2.361 752 HA ASP 87 HA ASP 87 15.118 2.397 -1.823 753 HB2 ASP 87 HB3 ASP 87 16.883 3.997 -2.448 754 HB3 ASP 87 HB2 ASP 87 16.718 4.790 -0.885 755 H GLN 88 H GLN 88 14.541 5.083 0.401 756 HA GLN 88 HA GLN 88 14.847 3.613 2.789 757 HB2 GLN 88 HB3 GLN 88 14.954 5.955 2.988 758 HB3 GLN 88 HB2 GLN 88 13.449 6.186 2.110 759 HG2 GLN 88 HG3 GLN 88 12.167 5.386 3.958 760 HG3 GLN 88 HG2 GLN 88 13.623 4.891 4.819 761 HE21 GLN 88 HE22 GLN 88 13.006 6.164 6.583 762 HE22 GLN 88 HE21 GLN 88 13.186 7.883 6.565 763 H GLU 89 H GLU 89 11.940 4.430 0.894 764 HA GLU 89 HA GLU 89 10.112 3.209 2.659 765 HB2 GLU 89 HB3 GLU 89 9.885 3.766 -0.301 766 HB3 GLU 89 HB2 GLU 89 8.548 3.245 0.716 767 HG2 GLU 89 HG3 GLU 89 8.905 5.274 2.112 768 HG3 GLU 89 HG2 GLU 89 10.103 5.809 0.935 769 H LEU 90 H LEU 90 11.816 1.974 -0.190 770 HA LEU 90 HA LEU 90 10.615 -0.590 -0.177 771 HB2 LEU 90 HB3 LEU 90 13.277 0.346 -1.248 772 HB3 LEU 90 HB2 LEU 90 12.651 -1.273 -1.489 773 HG LEU 90 HG LEU 90 11.363 1.269 -2.490 774 HD11 LEU 90 HD11 LEU 90 12.001 0.429 -4.702 775 HD12 LEU 90 HD12 LEU 90 12.853 -0.915 -3.941 776 HD13 LEU 90 HD13 LEU 90 13.410 0.739 -3.687 777 HD21 LEU 90 HD21 LEU 90 9.850 -0.226 -3.690 778 HD22 LEU 90 HD22 LEU 90 9.721 -0.458 -1.946 779 HD23 LEU 90 HD23 LEU 90 10.613 -1.621 -2.927 780 H LYS 91 H LYS 91 13.294 0.808 1.569 781 HA LYS 91 HA LYS 91 14.387 -1.637 2.519 782 HB2 LYS 91 HB3 LYS 91 15.557 0.599 2.443 783 HB3 LYS 91 HB2 LYS 91 14.587 1.078 3.827 784 HG2 LYS 91 HG3 LYS 91 15.577 -0.668 5.172 785 HG3 LYS 91 HG2 LYS 91 16.491 -1.254 3.779 786 HD2 LYS 91 HD3 LYS 91 17.611 0.959 3.650 787 HD3 LYS 91 HD2 LYS 91 16.771 1.431 5.128 788 HE2 LYS 91 HE3 LYS 91 17.852 -0.395 6.333 789 HE3 LYS 91 HE2 LYS 91 18.671 -0.895 4.855 790 HZ1 LYS 91 HZ1 LYS 91 19.790 1.268 4.811 791 HZ2 LYS 91 HZ2 LYS 91 20.144 0.405 6.228 792 HZ3 LYS 91 HZ3 LYS 91 19.040 1.689 6.276 793 H GLU 92 H GLU 92 11.930 0.585 3.703 794 HA GLU 92 HA GLU 92 11.537 -0.716 6.208 795 HB2 GLU 92 HB3 GLU 92 10.849 1.641 5.683 796 HB3 GLU 92 HB2 GLU 92 9.570 0.992 4.665 797 HG2 GLU 92 HG3 GLU 92 8.489 -0.009 6.546 798 HG3 GLU 92 HG2 GLU 92 9.842 0.396 7.601 799 H PHE 93 H PHE 93 10.098 -0.984 3.011 800 HA PHE 93 HA PHE 93 8.142 -2.930 3.598 801 HB2 PHE 93 HB3 PHE 93 8.056 -1.718 1.521 802 HB3 PHE 93 HB2 PHE 93 9.663 -2.266 1.069 803 HD1 PHE 93 HD2 PHE 93 6.408 -3.823 2.060 804 HD2 PHE 93 HD1 PHE 93 9.740 -3.826 -0.585 805 HE1 PHE 93 HE2 PHE 93 5.416 -5.700 0.817 806 HE2 PHE 93 HE1 PHE 93 8.755 -5.704 -1.830 807 HZ PHE 93 HZ PHE 93 6.590 -6.643 -1.129 808 H LYS 94 H LYS 94 11.518 -3.132 2.668 809 HA LYS 94 HA LYS 94 11.724 -5.943 2.477 810 HB2 LYS 94 HB3 LYS 94 13.331 -4.349 1.503 811 HB3 LYS 94 HB2 LYS 94 13.823 -3.857 3.113 812 HG2 LYS 94 HG3 LYS 94 14.712 -6.088 3.531 813 HG3 LYS 94 HG2 LYS 94 14.201 -6.595 1.918 814 HD2 LYS 94 HD3 LYS 94 15.660 -4.933 0.910 815 HD3 LYS 94 HD2 LYS 94 16.132 -4.353 2.506 816 HE2 LYS 94 HE3 LYS 94 17.113 -6.541 3.003 817 HE3 LYS 94 HE2 LYS 94 16.651 -7.109 1.398 818 HZ1 LYS 94 HZ1 LYS 94 18.449 -4.797 1.889 819 HZ2 LYS 94 HZ2 LYS 94 18.114 -5.527 0.395 820 HZ3 LYS 94 HZ3 LYS 94 18.996 -6.369 1.576 821 H ALA 95 H ALA 95 11.555 -3.793 5.146 822 HA ALA 95 HA ALA 95 12.554 -5.819 7.015 823 HB1 ALA 95 HB1 ALA 95 13.421 -3.542 7.268 824 HB2 ALA 95 HB2 ALA 95 12.493 -4.036 8.684 825 HB3 ALA 95 HB3 ALA 95 11.779 -2.941 7.501 826 H GLY 96 H GLY 96 9.882 -5.668 5.481 827 HA2 GLY 96 HA3 GLY 96 7.864 -6.709 6.076 828 HA3 GLY 96 HA2 GLY 96 8.252 -6.448 7.771 829 H PHE 97 H PHE 97 6.786 -5.160 4.940 830 HA PHE 97 HA PHE 97 6.327 -2.516 5.959 831 HB2 PHE 97 HB3 PHE 97 6.376 -3.502 3.489 832 HB3 PHE 97 HB2 PHE 97 4.661 -3.732 3.791 833 HD1 PHE 97 HD1 PHE 97 7.148 -1.019 4.426 834 HD2 PHE 97 HD2 PHE 97 3.352 -2.118 2.849 835 HE1 PHE 97 HE1 PHE 97 6.758 1.314 3.753 836 HE2 PHE 97 HE2 PHE 97 2.953 0.214 2.176 837 HZ PHE 97 HZ PHE 97 4.658 1.933 2.625 838 H LEU 98 H LEU 98 4.419 -1.706 6.873 839 HA LEU 98 HA LEU 98 2.819 -3.610 8.288 840 HB2 LEU 98 HB3 LEU 98 3.419 -1.385 9.214 841 HB3 LEU 98 HB2 LEU 98 2.403 -0.632 8.000 842 HG LEU 98 HG LEU 98 0.432 -1.804 8.970 843 HD11 LEU 98 HD11 LEU 98 0.632 -2.858 11.155 844 HD12 LEU 98 HD12 LEU 98 2.379 -2.612 11.128 845 HD13 LEU 98 HD13 LEU 98 1.623 -3.696 9.961 846 HD21 LEU 98 HD21 LEU 98 0.949 0.489 9.613 847 HD22 LEU 98 HD22 LEU 98 2.010 -0.097 10.894 848 HD23 LEU 98 HD23 LEU 98 0.276 -0.408 10.973 849 H CYS 99 H CYS 99 1.642 -4.846 6.918 850 HA CYS 99 HA CYS 99 -0.296 -3.454 5.199 851 HB2 CYS 99 HB3 CYS 99 1.504 -4.334 3.804 852 HB3 CYS 99 HB2 CYS 99 1.325 -5.924 4.536 853 HG CYS 99 HG CYS 99 -1.167 -6.442 3.426 854 HA PRO 100 HA PRO 100 -3.289 -6.234 7.082 855 HB2 PRO 100 HB2 PRO 100 -4.773 -5.995 4.552 856 HB3 PRO 100 HB3 PRO 100 -5.269 -5.540 6.183 857 HG2 PRO 100 HG3 PRO 100 -4.686 -3.717 4.282 858 HG3 PRO 100 HG2 PRO 100 -4.387 -3.430 6.007 859 HD2 PRO 100 HD3 PRO 100 -2.463 -4.152 3.839 860 HD3 PRO 100 HD2 PRO 100 -2.241 -3.077 5.236 861 H ASP 101 H ASP 101 -3.839 -8.422 6.813 862 HA ASP 101 HA ASP 101 -2.155 -9.986 5.175 863 HB2 ASP 101 HB3 ASP 101 -3.365 -11.873 5.986 864 HB3 ASP 101 HB2 ASP 101 -3.322 -10.711 7.310 865 H LEU 102 H LEU 102 -5.373 -8.710 4.801 866 HA LEU 102 HA LEU 102 -6.498 -8.081 2.943 867 HB2 LEU 102 HB3 LEU 102 -4.029 -7.960 2.054 868 HB3 LEU 102 HB2 LEU 102 -4.504 -9.373 1.134 869 HG LEU 102 HG LEU 102 -6.331 -8.068 0.099 870 HD11 LEU 102 HD11 LEU 102 -6.705 -6.462 1.895 871 HD12 LEU 102 HD12 LEU 102 -6.371 -5.635 0.374 872 HD13 LEU 102 HD13 LEU 102 -5.116 -5.753 1.607 873 HD21 LEU 102 HD21 LEU 102 -4.900 -6.666 -1.312 874 HD22 LEU 102 HD22 LEU 102 -4.173 -8.247 -1.020 875 HD23 LEU 102 HD23 LEU 102 -3.588 -6.832 -0.145 876 H SER 103 H SER 103 -6.035 -11.133 3.959 877 HA SER 103 HA SER 103 -7.823 -12.263 1.910 878 HB2 SER 103 HB3 SER 103 -5.814 -13.687 3.669 879 HB3 SER 103 HB2 SER 103 -6.912 -14.479 2.537 880 HG SER 103 HG SER 103 -5.865 -12.843 0.992 881 H ASP 104 H ASP 104 -7.550 -11.367 5.165 882 HA ASP 104 HA ASP 104 -9.616 -13.132 6.143 883 HB2 ASP 104 HB3 ASP 104 -7.805 -12.340 7.620 884 HB3 ASP 104 HB2 ASP 104 -8.356 -10.682 7.400 885 H ALA 105 H ALA 105 -11.729 -12.796 5.875 886 HA ALA 105 HA ALA 105 -12.628 -10.533 4.387 887 HB1 ALA 105 HB1 ALA 105 -14.822 -11.579 4.491 888 HB2 ALA 105 HB2 ALA 105 -14.250 -12.701 5.726 889 HB3 ALA 105 HB3 ALA 105 -13.585 -12.772 4.093 890 H LYS 106 H LYS 106 -12.404 -11.200 7.762 891 HA LYS 106 HA LYS 106 -14.409 -9.319 8.612 892 HB2 LYS 106 HB3 LYS 106 -12.034 -10.053 10.297 893 HB3 LYS 106 HB2 LYS 106 -13.696 -9.766 10.794 894 HG2 LYS 106 HG3 LYS 106 -14.391 -11.894 10.053 895 HG3 LYS 106 HG2 LYS 106 -12.887 -12.156 9.165 896 HD2 LYS 106 HD3 LYS 106 -11.746 -11.935 11.465 897 HD3 LYS 106 HD2 LYS 106 -13.361 -12.196 12.128 898 HE2 LYS 106 HE3 LYS 106 -12.086 -14.287 11.972 899 HE3 LYS 106 HE2 LYS 106 -13.524 -14.316 10.950 900 HZ1 LYS 106 HZ1 LYS 106 -10.818 -13.618 9.931 901 HZ2 LYS 106 HZ2 LYS 106 -12.211 -13.958 9.027 902 HZ3 LYS 106 HZ3 LYS 106 -11.444 -15.194 9.894 903 H ASN 107 H ASN 107 -10.895 -9.401 8.445 904 HA ASN 107 HA ASN 107 -10.330 -6.740 9.068 905 HB2 ASN 107 HB3 ASN 107 -8.634 -8.507 8.952 906 HB3 ASN 107 HB2 ASN 107 -8.867 -8.636 7.213 907 HD21 ASN 107 HD22 ASN 107 -6.686 -8.214 6.865 908 HD22 ASN 107 HD21 ASN 107 -6.043 -6.612 7.013 909 H MET 108 H MET 108 -10.968 -8.267 5.921 910 HA MET 108 HA MET 108 -10.541 -5.959 4.368 911 HB2 MET 108 HB3 MET 108 -12.197 -8.418 3.808 912 HB3 MET 108 HB2 MET 108 -11.868 -7.165 2.618 913 HG2 MET 108 HG3 MET 108 -9.861 -8.948 3.975 914 HG3 MET 108 HG2 MET 108 -10.352 -8.986 2.282 915 HE1 MET 108 HE1 MET 108 -8.961 -5.526 1.012 916 HE2 MET 108 HE2 MET 108 -10.563 -5.866 1.675 917 HE3 MET 108 HE3 MET 108 -9.816 -7.003 0.554 918 H GLU 109 H GLU 109 -13.361 -7.035 6.160 919 HA GLU 109 HA GLU 109 -15.119 -5.194 4.818 920 HB2 GLU 109 HB3 GLU 109 -15.842 -7.369 5.913 921 HB3 GLU 109 HB2 GLU 109 -15.648 -6.549 7.457 922 HG2 GLU 109 HG3 GLU 109 -17.371 -5.021 6.981 923 HG3 GLU 109 HG2 GLU 109 -17.394 -5.465 5.274 924 H PHE 110 H PHE 110 -13.362 -5.289 7.891 925 HA PHE 110 HA PHE 110 -14.149 -2.746 8.831 926 HB2 PHE 110 HB3 PHE 110 -11.820 -4.554 9.313 927 HB3 PHE 110 HB2 PHE 110 -11.696 -2.884 9.849 928 HD1 PHE 110 HD1 PHE 110 -13.991 -5.817 10.064 929 HD2 PHE 110 HD2 PHE 110 -12.440 -2.321 11.930 930 HE1 PHE 110 HE1 PHE 110 -15.212 -6.384 12.126 931 HE2 PHE 110 HE2 PHE 110 -13.662 -2.878 13.995 932 HZ PHE 110 HZ PHE 110 -15.049 -4.912 14.094 933 H LEU 111 H LEU 111 -11.585 -3.809 6.684 934 HA LEU 111 HA LEU 111 -10.305 -1.369 6.230 935 HB2 LEU 111 HB3 LEU 111 -9.458 -3.591 5.568 936 HB3 LEU 111 HB2 LEU 111 -10.711 -3.706 4.353 937 HG LEU 111 HG LEU 111 -8.906 -1.372 4.121 938 HD11 LEU 111 HD11 LEU 111 -7.992 -4.181 3.519 939 HD12 LEU 111 HD12 LEU 111 -7.340 -3.130 4.776 940 HD13 LEU 111 HD13 LEU 111 -7.144 -2.698 3.078 941 HD21 LEU 111 HD21 LEU 111 -9.079 -1.939 1.759 942 HD22 LEU 111 HD22 LEU 111 -10.675 -1.823 2.500 943 HD23 LEU 111 HD23 LEU 111 -9.970 -3.406 2.170 944 H ARG 112 H ARG 112 -13.198 -2.775 4.807 945 HA ARG 112 HA ARG 112 -13.609 -0.776 2.825 946 HB2 ARG 112 HB3 ARG 112 -14.671 -2.989 2.700 947 HB3 ARG 112 HB2 ARG 112 -15.592 -2.638 4.156 948 HG2 ARG 112 HG3 ARG 112 -16.672 -0.754 2.951 949 HG3 ARG 112 HG2 ARG 112 -15.832 -1.266 1.487 950 HD2 ARG 112 HD3 ARG 112 -18.007 -2.189 1.373 951 HD3 ARG 112 HD2 ARG 112 -16.921 -3.515 1.780 952 HE ARG 112 HE ARG 112 -17.880 -2.513 4.181 953 HH11 ARG 112 HH11 ARG 112 -19.213 -3.982 1.290 954 HH12 ARG 112 HH12 ARG 112 -20.546 -4.720 2.134 955 HH21 ARG 112 HH22 ARG 112 -19.674 -3.476 5.285 956 HH22 ARG 112 HH21 ARG 112 -20.803 -4.430 4.372 957 H ASN 113 H ASN 113 -14.365 -1.028 6.214 958 HA ASN 113 HA ASN 113 -16.247 1.210 6.065 959 HB2 ASN 113 HB3 ASN 113 -15.639 -0.774 8.258 960 HB3 ASN 113 HB2 ASN 113 -16.717 0.602 8.470 961 HD21 ASN 113 HD22 ASN 113 -17.312 -2.228 8.665 962 HD22 ASN 113 HD21 ASN 113 -18.554 -2.537 7.492 963 H TRP 114 H TRP 114 -13.174 1.293 6.009 964 HA TRP 114 HA TRP 114 -12.442 2.740 8.351 965 HB2 TRP 114 HB3 TRP 114 -10.806 1.564 6.898 966 HB3 TRP 114 HB2 TRP 114 -11.122 2.738 5.626 967 HD1 TRP 114 HD1 TRP 114 -9.796 2.723 9.275 968 HE1 TRP 114 HE1 TRP 114 -8.028 4.582 9.482 969 HE3 TRP 114 HE3 TRP 114 -10.138 4.694 4.571 970 HZ2 TRP 114 HZ2 TRP 114 -6.921 6.605 7.864 971 HZ3 TRP 114 HZ3 TRP 114 -8.685 6.589 3.982 972 HH2 TRP 114 HH2 TRP 114 -7.111 7.524 5.595 973 H ASN 115 H ASN 115 -13.568 4.539 8.812 974 HA ASN 115 HA ASN 115 -14.296 6.401 6.682 975 HB2 ASN 115 HB3 ASN 115 -15.023 6.284 9.616 976 HB3 ASN 115 HB2 ASN 115 -15.510 7.599 8.553 977 HD21 ASN 115 HD22 ASN 115 -16.005 4.292 9.434 978 HD22 ASN 115 HD21 ASN 115 -17.428 4.041 8.492 979 H GLY 116 H GLY 116 -11.536 6.192 7.215 980 HA2 GLY 116 HA3 GLY 116 -9.701 7.528 7.618 981 HA3 GLY 116 HA2 GLY 116 -10.816 8.881 7.793 982 H THR 117 H THR 117 -10.687 5.887 9.629 983 HA THR 117 HA THR 117 -10.660 7.472 12.084 984 HB THR 117 HB THR 117 -11.219 4.516 11.810 985 HG1 THR 117 HG1 THR 117 -13.086 6.681 11.737 986 HG21 THR 117 HG21 THR 117 -12.467 4.851 13.897 987 HG22 THR 117 HG22 THR 117 -12.006 6.553 13.899 988 HG23 THR 117 HG23 THR 117 -10.773 5.305 14.080 989 H PHE 118 H PHE 118 -8.987 7.423 13.478 990 HA PHE 118 HA PHE 118 -6.545 6.146 12.634 991 HB2 PHE 118 HB3 PHE 118 -7.167 7.809 15.085 992 HB3 PHE 118 HB2 PHE 118 -5.558 7.280 14.605 993 HD1 PHE 118 HD1 PHE 118 -4.433 8.281 12.709 994 HD2 PHE 118 HD2 PHE 118 -8.306 9.580 13.906 995 HE1 PHE 118 HE1 PHE 118 -4.176 10.305 11.334 996 HE2 PHE 118 HE2 PHE 118 -8.055 11.604 12.531 997 HZ PHE 118 HZ PHE 118 -5.988 11.969 11.242 998 H GLY 119 H GLY 119 -8.862 5.816 15.280 999 HA2 GLY 119 HA3 GLY 119 -7.468 3.813 16.712 1000 HA3 GLY 119 HA2 GLY 119 -9.194 4.128 16.806 1001 H LEU 120 H LEU 120 -9.451 3.706 13.877 1002 HA LEU 120 HA LEU 120 -10.102 0.946 13.930 1003 HB2 LEU 120 HB3 LEU 120 -10.863 3.088 12.429 1004 HB3 LEU 120 HB2 LEU 120 -9.807 2.261 11.303 1005 HG LEU 120 HG LEU 120 -12.158 0.944 12.665 1006 HD11 LEU 120 HD11 LEU 120 -11.965 2.155 9.911 1007 HD12 LEU 120 HD12 LEU 120 -12.934 2.762 11.253 1008 HD13 LEU 120 HD13 LEU 120 -13.318 1.203 10.524 1009 HD21 LEU 120 HD21 LEU 120 -10.446 -0.617 11.915 1010 HD22 LEU 120 HD22 LEU 120 -10.465 0.115 10.309 1011 HD23 LEU 120 HD23 LEU 120 -11.888 -0.740 10.904 1012 H LEU 121 H LEU 121 -7.246 2.681 13.207 1013 HA LEU 121 HA LEU 121 -6.085 0.741 11.432 1014 HB2 LEU 121 HB3 LEU 121 -4.823 3.029 12.945 1015 HB3 LEU 121 HB2 LEU 121 -4.016 2.066 11.722 1016 HG LEU 121 HG LEU 121 -6.421 3.832 11.245 1017 HD11 LEU 121 HD11 LEU 121 -4.860 5.249 10.016 1018 HD12 LEU 121 HD12 LEU 121 -3.526 4.196 10.486 1019 HD13 LEU 121 HD13 LEU 121 -4.399 5.114 11.713 1020 HD21 LEU 121 HD21 LEU 121 -6.380 1.900 9.759 1021 HD22 LEU 121 HD22 LEU 121 -4.709 2.258 9.324 1022 HD23 LEU 121 HD23 LEU 121 -5.995 3.378 8.877 1023 H ASN 122 H ASN 122 -6.721 0.707 14.663 1024 HA ASN 122 HA ASN 122 -4.431 -1.044 15.249 1025 HB2 ASN 122 HB3 ASN 122 -4.975 0.910 16.798 1026 HB3 ASN 122 HB2 ASN 122 -6.434 0.030 17.242 1027 HD21 ASN 122 HD22 ASN 122 -6.241 -1.914 18.409 1028 HD22 ASN 122 HD21 ASN 122 -4.786 -2.320 19.261 1029 H THR 123 H THR 123 -7.815 -0.926 14.687 1030 HA THR 123 HA THR 123 -8.336 -3.519 15.878 1031 HB THR 123 HB THR 123 -10.669 -3.138 15.080 1032 HG1 THR 123 HG1 THR 123 -10.130 -1.771 13.288 1033 HG21 THR 123 HG21 THR 123 -9.937 -2.387 17.315 1034 HG22 THR 123 HG22 THR 123 -11.176 -1.331 16.634 1035 HG23 THR 123 HG23 THR 123 -9.486 -0.827 16.625 1036 H LEU 124 H LEU 124 -7.285 -2.280 12.930 1037 HA LEU 124 HA LEU 124 -8.367 -4.301 11.220 1038 HB2 LEU 124 HB3 LEU 124 -6.165 -2.281 10.883 1039 HB3 LEU 124 HB2 LEU 124 -6.573 -3.444 9.635 1040 HG LEU 124 HG LEU 124 -8.523 -1.440 10.771 1041 HD11 LEU 124 HD11 LEU 124 -6.706 -0.306 9.596 1042 HD12 LEU 124 HD12 LEU 124 -8.223 -0.206 8.701 1043 HD13 LEU 124 HD13 LEU 124 -6.970 -1.339 8.191 1044 HD21 LEU 124 HD21 LEU 124 -8.643 -3.238 8.356 1045 HD22 LEU 124 HD22 LEU 124 -9.854 -2.038 8.807 1046 HD23 LEU 124 HD23 LEU 124 -9.564 -3.433 9.848 1047 H ARG 125 H ARG 125 -7.185 -5.970 10.188 1048 HA ARG 125 HA ARG 125 -5.312 -7.274 11.973 1049 HB2 ARG 125 HB3 ARG 125 -7.183 -8.493 10.861 1050 HB3 ARG 125 HB2 ARG 125 -6.418 -8.193 9.311 1051 HG2 ARG 125 HG3 ARG 125 -4.535 -9.567 9.928 1052 HG3 ARG 125 HG2 ARG 125 -5.192 -9.785 11.554 1053 HD2 ARG 125 HD3 ARG 125 -7.172 -10.872 10.593 1054 HD3 ARG 125 HD2 ARG 125 -6.493 -10.676 8.981 1055 HE ARG 125 HE ARG 125 -4.662 -12.173 9.761 1056 HH11 ARG 125 HH11 ARG 125 -7.796 -12.240 11.299 1057 HH12 ARG 125 HH12 ARG 125 -7.655 -13.882 11.843 1058 HH21 ARG 125 HH22 ARG 125 -4.466 -14.356 10.427 1059 HH22 ARG 125 HH21 ARG 125 -5.750 -15.094 11.346 1060 H LEU 126 H LEU 126 -3.744 -5.561 11.682 1061 HA LEU 126 HA LEU 126 -2.364 -5.512 9.104 1062 HB2 LEU 126 HB3 LEU 126 -2.089 -3.759 11.548 1063 HB3 LEU 126 HB2 LEU 126 -1.174 -3.557 10.066 1064 HG LEU 126 HG LEU 126 -4.179 -3.373 10.216 1065 HD11 LEU 126 HD11 LEU 126 -2.131 -1.166 10.183 1066 HD12 LEU 126 HD12 LEU 126 -3.177 -1.597 11.538 1067 HD13 LEU 126 HD13 LEU 126 -3.878 -0.959 10.051 1068 HD21 LEU 126 HD21 LEU 126 -3.962 -2.332 8.022 1069 HD22 LEU 126 HD22 LEU 126 -3.305 -3.969 8.020 1070 HD23 LEU 126 HD23 LEU 126 -2.217 -2.581 8.072 1071 H ILE 127 H ILE 127 -0.498 -6.495 8.799 1072 HA ILE 127 HA ILE 127 1.093 -7.296 11.143 1073 HB ILE 127 HB ILE 127 1.720 -9.372 9.873 1074 HG12 ILE 127 HG13 ILE 127 -0.657 -8.585 8.168 1075 HG13 ILE 127 HG12 ILE 127 1.021 -8.622 7.639 1076 HG21 ILE 127 HG21 ILE 127 0.155 -9.461 11.725 1077 HG22 ILE 127 HG22 ILE 127 -0.316 -10.605 10.469 1078 HG23 ILE 127 HG23 ILE 127 -1.181 -9.077 10.641 1079 HD11 ILE 127 HD11 ILE 127 1.079 -11.032 7.971 1080 HD12 ILE 127 HD12 ILE 127 -0.205 -10.566 6.856 1081 HD13 ILE 127 HD13 ILE 127 -0.597 -11.000 8.520 1082 H ARG 128 H ARG 128 3.335 -8.168 10.164 1083 HA ARG 128 HA ARG 128 4.261 -6.049 8.368 1084 HB2 ARG 128 HB3 ARG 128 5.927 -7.949 10.032 1085 HB3 ARG 128 HB2 ARG 128 6.508 -6.548 9.140 1086 HG2 ARG 128 HG3 ARG 128 4.839 -5.237 10.649 1087 HG3 ARG 128 HG2 ARG 128 4.952 -6.661 11.684 1088 HD2 ARG 128 HD3 ARG 128 6.566 -5.061 12.434 1089 HD3 ARG 128 HD2 ARG 128 7.431 -6.391 11.664 1090 HE ARG 128 HE ARG 128 7.579 -4.913 9.664 1091 HH11 ARG 128 HH11 ARG 128 7.164 -3.526 12.847 1092 HH12 ARG 128 HH12 ARG 128 7.843 -1.986 12.416 1093 HH21 ARG 128 HH22 ARG 128 8.472 -2.908 9.081 1094 HH22 ARG 128 HH21 ARG 128 8.592 -1.630 10.259 1095 H ILE 129 H ILE 129 4.462 -6.521 6.320 1096 HA ILE 129 HA ILE 129 4.784 -9.345 5.549 1097 HB ILE 129 HB ILE 129 3.221 -7.112 4.285 1098 HG12 ILE 129 HG13 ILE 129 2.513 -9.936 5.113 1099 HG13 ILE 129 HG12 ILE 129 2.094 -8.466 5.987 1100 HG21 ILE 129 HG21 ILE 129 4.069 -9.694 3.004 1101 HG22 ILE 129 HG22 ILE 129 4.439 -8.057 2.463 1102 HG23 ILE 129 HG23 ILE 129 2.782 -8.657 2.389 1103 HD11 ILE 129 HD11 ILE 129 0.702 -7.754 4.115 1104 HD12 ILE 129 HD12 ILE 129 0.199 -9.323 4.744 1105 HD13 ILE 129 HD13 ILE 129 1.122 -9.229 3.244 1106 H ASN 130 H ASN 130 6.443 -9.897 4.269 1107 HA ASN 130 HA ASN 130 8.079 -7.708 3.165 1108 HB2 ASN 130 HB3 ASN 130 9.205 -9.028 4.938 1109 HB3 ASN 130 HB2 ASN 130 8.995 -10.480 3.964 1110 HD21 ASN 130 HD22 ASN 130 11.183 -10.868 3.763 1111 HD22 ASN 130 HD21 ASN 130 12.221 -9.875 2.803 1112 H ASP 131 H ASP 131 8.462 -7.638 1.090 1113 HA ASP 131 HA ASP 131 8.661 -8.116 -1.095 1114 HB2 ASP 131 HB3 ASP 131 10.407 -9.578 -0.253 1115 HB3 ASP 131 HB2 ASP 131 9.245 -10.885 -0.062 1116 H LYS 132 H LYS 132 7.459 -11.411 -0.583 1117 HA LYS 132 HA LYS 132 5.431 -10.771 -2.619 1118 HB2 LYS 132 HB3 LYS 132 6.506 -13.469 -1.771 1119 HB3 LYS 132 HB2 LYS 132 5.382 -13.180 -3.087 1120 HG2 LYS 132 HG3 LYS 132 8.238 -12.242 -2.948 1121 HG3 LYS 132 HG2 LYS 132 7.619 -13.575 -3.923 1122 HD2 LYS 132 HD3 LYS 132 6.159 -11.944 -5.108 1123 HD3 LYS 132 HD2 LYS 132 6.945 -10.649 -4.202 1124 HE2 LYS 132 HE3 LYS 132 8.205 -12.533 -6.187 1125 HE3 LYS 132 HE2 LYS 132 7.998 -10.789 -6.343 1126 HZ1 LYS 132 HZ1 LYS 132 9.775 -12.205 -4.436 1127 HZ2 LYS 132 HZ2 LYS 132 9.504 -10.533 -4.409 1128 HZ3 LYS 132 HZ3 LYS 132 10.255 -11.256 -5.750 1129 H GLY 133 H GLY 133 5.287 -10.574 0.467 1130 HA2 GLY 133 HA3 GLY 133 3.182 -10.617 1.638 1131 HA3 GLY 133 HA2 GLY 133 2.719 -12.001 0.661 1132 H GLU 134 H GLU 134 5.841 -11.605 2.172 1133 HA GLU 134 HA GLU 134 5.499 -14.175 3.461 1134 HB2 GLU 134 HB3 GLU 134 7.594 -13.582 2.262 1135 HB3 GLU 134 HB2 GLU 134 7.893 -12.329 3.457 1136 HG2 GLU 134 HG3 GLU 134 9.181 -14.398 3.845 1137 HG3 GLU 134 HG2 GLU 134 8.137 -13.953 5.196 1138 H GLN 135 H GLN 135 5.528 -14.559 5.639 1139 HA GLN 135 HA GLN 135 4.449 -12.444 7.263 1140 HB2 GLN 135 HB3 GLN 135 3.653 -14.811 7.351 1141 HB3 GLN 135 HB2 GLN 135 5.198 -15.266 8.053 1142 HG2 GLN 135 HG3 GLN 135 3.625 -15.074 9.818 1143 HG3 GLN 135 HG2 GLN 135 4.725 -13.700 9.931 1144 HE21 GLN 135 HE22 GLN 135 3.279 -12.437 11.061 1145 HE22 GLN 135 HE21 GLN 135 1.861 -11.766 10.336 1146 H VAL 136 H VAL 136 5.727 -10.997 8.206 1147 HA VAL 136 HA VAL 136 8.440 -11.745 8.978 1148 HB VAL 136 HB VAL 136 7.096 -9.037 9.078 1149 HG11 VAL 136 HG11 VAL 136 9.995 -9.810 9.387 1150 HG12 VAL 136 HG12 VAL 136 8.932 -9.214 10.662 1151 HG13 VAL 136 HG13 VAL 136 9.374 -8.161 9.318 1152 HG21 VAL 136 HG21 VAL 136 8.990 -10.205 7.042 1153 HG22 VAL 136 HG22 VAL 136 8.442 -8.529 7.084 1154 HG23 VAL 136 HG23 VAL 136 7.285 -9.827 6.793 1155 H VAL 137 H VAL 137 8.741 -12.555 10.923 1156 HA VAL 137 HA VAL 137 7.186 -11.452 13.170 1157 HB VAL 137 HB VAL 137 7.410 -13.652 14.304 1158 HG11 VAL 137 HG11 VAL 137 5.338 -13.107 13.167 1159 HG12 VAL 137 HG12 VAL 137 5.693 -14.826 12.992 1160 HG13 VAL 137 HG13 VAL 137 5.985 -13.724 11.647 1161 HG21 VAL 137 HG21 VAL 137 9.355 -14.506 13.101 1162 HG22 VAL 137 HG22 VAL 137 8.403 -14.611 11.619 1163 HG23 VAL 137 HG23 VAL 137 8.005 -15.637 12.997 1164 H GLY 138 H GLY 138 8.306 -11.239 15.154 1165 HA2 GLY 138 HA3 GLY 138 11.058 -10.531 14.849 1166 HA3 GLY 138 HA2 GLY 138 10.134 -10.495 16.344 1167 H GLY 139 H GLY 139 9.383 -13.361 15.968 1168 HA2 GLY 139 HA3 GLY 139 10.872 -15.390 15.809 1169 HA3 GLY 139 HA2 GLY 139 11.954 -14.495 16.869 1170 H ASN 140 H ASN 140 8.888 -16.153 16.625 1171 HA ASN 140 HA ASN 140 8.677 -16.099 19.568 1172 HB2 ASN 140 HB3 ASN 140 6.471 -16.457 17.523 1173 HB3 ASN 140 HB2 ASN 140 6.258 -16.460 19.271 1174 HD21 ASN 140 HD22 ASN 140 6.512 -14.523 20.419 1175 HD22 ASN 140 HD21 ASN 140 6.403 -12.988 19.623 1176 H GLU 141 H GLU 141 9.786 -17.984 17.231 1177 HA GLU 141 HA GLU 141 9.362 -20.392 18.764 1178 HB2 GLU 141 HB3 GLU 141 7.426 -20.293 17.165 1179 HB3 GLU 141 HB2 GLU 141 8.582 -20.352 15.842 1180 HG2 GLU 141 HG3 GLU 141 9.265 -22.542 16.412 1181 HG3 GLU 141 HG2 GLU 141 8.423 -22.476 17.960 Start of MODEL 2 1 H MET 1 H MET 1 -26.118 36.393 7.434 2 HA MET 1 HA MET 1 -24.925 38.383 5.602 3 HB2 MET 1 HB3 MET 1 -26.881 38.576 7.898 4 HB3 MET 1 HB2 MET 1 -26.124 39.972 7.147 5 HG2 MET 1 HG3 MET 1 -27.157 39.370 5.010 6 HG3 MET 1 HG2 MET 1 -27.935 37.991 5.786 7 HE1 MET 1 HE1 MET 1 -30.257 38.902 4.804 8 HE2 MET 1 HE2 MET 1 -29.448 40.310 4.114 9 HE3 MET 1 HE3 MET 1 -30.880 40.523 5.121 10 H ARG 2 H ARG 2 -24.961 37.128 8.938 11 HA ARG 2 HA ARG 2 -22.750 38.956 9.586 12 HB2 ARG 2 HB3 ARG 2 -24.575 37.353 11.377 13 HB3 ARG 2 HB2 ARG 2 -23.276 38.391 11.945 14 HG2 ARG 2 HG3 ARG 2 -24.412 40.314 10.870 15 HG3 ARG 2 HG2 ARG 2 -25.752 39.239 10.462 16 HD2 ARG 2 HD3 ARG 2 -26.075 38.752 12.840 17 HD3 ARG 2 HD2 ARG 2 -24.751 39.844 13.242 18 HE ARG 2 HE ARG 2 -26.778 41.129 11.684 19 HH11 ARG 2 HH11 ARG 2 -25.912 40.148 14.940 20 HH12 ARG 2 HH12 ARG 2 -26.948 41.312 15.708 21 HH21 ARG 2 HH22 ARG 2 -28.141 42.662 12.692 22 HH22 ARG 2 HH21 ARG 2 -28.209 42.747 14.427 23 H GLU 3 H GLU 3 -22.478 36.310 8.118 24 HA GLU 3 HA GLU 3 -20.472 35.178 9.926 25 HB2 GLU 3 HB3 GLU 3 -21.228 32.924 9.627 26 HB3 GLU 3 HB2 GLU 3 -22.588 33.880 10.191 27 HG2 GLU 3 HG3 GLU 3 -22.108 33.097 7.322 28 HG3 GLU 3 HG2 GLU 3 -23.186 32.259 8.433 29 H ASP 4 H ASP 4 -18.970 33.705 8.853 30 HA ASP 4 HA ASP 4 -18.276 34.448 6.181 31 HB2 ASP 4 HB3 ASP 4 -17.245 32.445 8.160 32 HB3 ASP 4 HB2 ASP 4 -16.784 32.283 6.470 33 H LYS 5 H LYS 5 -18.752 33.438 4.295 34 HA LYS 5 HA LYS 5 -20.966 31.656 4.235 35 HB2 LYS 5 HB3 LYS 5 -19.052 32.458 2.035 36 HB3 LYS 5 HB2 LYS 5 -20.564 31.591 1.793 37 HG2 LYS 5 HG3 LYS 5 -21.782 33.505 2.754 38 HG3 LYS 5 HG2 LYS 5 -20.254 34.377 2.889 39 HD2 LYS 5 HD3 LYS 5 -19.961 34.286 0.483 40 HD3 LYS 5 HD2 LYS 5 -21.437 33.332 0.319 41 HE2 LYS 5 HE3 LYS 5 -21.236 36.163 1.339 42 HE3 LYS 5 HE2 LYS 5 -21.873 35.657 -0.226 43 HZ1 LYS 5 HZ1 LYS 5 -23.684 36.067 1.260 44 HZ2 LYS 5 HZ2 LYS 5 -23.027 35.051 2.446 45 HZ3 LYS 5 HZ3 LYS 5 -23.599 34.398 0.988 46 H ILE 6 H ILE 6 -17.502 31.294 3.690 47 HA ILE 6 HA ILE 6 -17.840 28.413 4.172 48 HB ILE 6 HB ILE 6 -15.575 28.187 2.995 49 HG12 ILE 6 HG13 ILE 6 -16.420 30.859 1.846 50 HG13 ILE 6 HG12 ILE 6 -15.054 30.608 2.928 51 HG21 ILE 6 HG21 ILE 6 -17.647 27.339 2.066 52 HG22 ILE 6 HG22 ILE 6 -16.635 28.019 0.791 53 HG23 ILE 6 HG23 ILE 6 -18.019 28.930 1.397 54 HD11 ILE 6 HD11 ILE 6 -13.975 29.213 1.251 55 HD12 ILE 6 HD12 ILE 6 -14.335 30.821 0.620 56 HD13 ILE 6 HD13 ILE 6 -15.346 29.448 0.167 57 H ALA 7 H ALA 7 -17.562 28.418 6.326 58 HA ALA 7 HA ALA 7 -15.304 29.894 7.469 59 HB1 ALA 7 HB1 ALA 7 -17.508 30.250 8.464 60 HB2 ALA 7 HB2 ALA 7 -16.388 29.527 9.619 61 HB3 ALA 7 HB3 ALA 7 -17.617 28.530 8.839 62 H ALA 8 H ALA 8 -16.774 26.653 7.681 63 HA ALA 8 HA ALA 8 -14.657 25.524 9.177 64 HB1 ALA 8 HB1 ALA 8 -16.689 24.149 7.423 65 HB2 ALA 8 HB2 ALA 8 -16.885 24.534 9.132 66 HB3 ALA 8 HB3 ALA 8 -15.667 23.364 8.626 67 H LYS 9 H LYS 9 -15.211 25.956 5.774 68 HA LYS 9 HA LYS 9 -12.865 24.338 5.095 69 HB2 LYS 9 HB3 LYS 9 -15.052 25.518 3.378 70 HB3 LYS 9 HB2 LYS 9 -13.688 24.598 2.755 71 HG2 LYS 9 HG3 LYS 9 -14.412 22.622 3.867 72 HG3 LYS 9 HG2 LYS 9 -15.649 23.510 4.757 73 HD2 LYS 9 HD3 LYS 9 -16.840 23.974 2.704 74 HD3 LYS 9 HD2 LYS 9 -15.569 23.196 1.760 75 HE2 LYS 9 HE3 LYS 9 -16.068 21.063 2.763 76 HE3 LYS 9 HE2 LYS 9 -17.236 21.810 3.852 77 HZ1 LYS 9 HZ1 LYS 9 -17.504 21.902 0.902 78 HZ2 LYS 9 HZ2 LYS 9 -18.678 22.284 2.064 79 HZ3 LYS 9 HZ3 LYS 9 -18.188 20.672 1.848 80 H LYS 10 H LYS 10 -13.064 27.206 6.214 81 HA LYS 10 HA LYS 10 -11.761 28.757 4.144 82 HB2 LYS 10 HB3 LYS 10 -13.349 29.677 5.917 83 HB3 LYS 10 HB2 LYS 10 -12.042 29.455 7.069 84 HG2 LYS 10 HG3 LYS 10 -10.662 31.028 5.873 85 HG3 LYS 10 HG2 LYS 10 -11.888 31.187 4.610 86 HD2 LYS 10 HD3 LYS 10 -13.471 32.041 6.303 87 HD3 LYS 10 HD2 LYS 10 -12.191 31.955 7.514 88 HE2 LYS 10 HE3 LYS 10 -10.864 33.548 6.211 89 HE3 LYS 10 HE2 LYS 10 -12.154 33.636 5.011 90 HZ1 LYS 10 HZ1 LYS 10 -13.637 34.497 6.728 91 HZ2 LYS 10 HZ2 LYS 10 -12.270 35.489 6.545 92 HZ3 LYS 10 HZ3 LYS 10 -12.376 34.429 7.864 93 H LYS 11 H LYS 11 -10.897 26.484 6.451 94 HA LYS 11 HA LYS 11 -8.087 27.349 6.389 95 HB2 LYS 11 HB3 LYS 11 -9.518 25.802 8.559 96 HB3 LYS 11 HB2 LYS 11 -7.801 26.181 8.546 97 HG2 LYS 11 HG3 LYS 11 -8.357 28.580 8.575 98 HG3 LYS 11 HG2 LYS 11 -10.068 28.159 8.679 99 HD2 LYS 11 HD3 LYS 11 -9.692 27.043 10.797 100 HD3 LYS 11 HD2 LYS 11 -7.959 27.358 10.680 101 HE2 LYS 11 HE3 LYS 11 -10.150 29.417 10.918 102 HE3 LYS 11 HE2 LYS 11 -9.001 28.959 12.174 103 HZ1 LYS 11 HZ1 LYS 11 -8.443 30.389 9.639 104 HZ2 LYS 11 HZ2 LYS 11 -7.217 29.710 10.596 105 HZ3 LYS 11 HZ3 LYS 11 -8.200 30.942 11.221 106 H LEU 12 H LEU 12 -6.641 25.949 5.615 107 HA LEU 12 HA LEU 12 -7.620 23.605 4.277 108 HB2 LEU 12 HB3 LEU 12 -4.809 24.670 4.579 109 HB3 LEU 12 HB2 LEU 12 -5.281 23.359 3.515 110 HG LEU 12 HG LEU 12 -6.237 26.215 3.286 111 HD11 LEU 12 HD11 LEU 12 -3.881 26.006 2.728 112 HD12 LEU 12 HD12 LEU 12 -4.841 26.284 1.274 113 HD13 LEU 12 HD13 LEU 12 -4.243 24.667 1.640 114 HD21 LEU 12 HD21 LEU 12 -7.158 25.482 1.133 115 HD22 LEU 12 HD22 LEU 12 -7.892 24.620 2.484 116 HD23 LEU 12 HD23 LEU 12 -6.669 23.826 1.493 117 H HIS 13 H HIS 13 -7.832 21.685 5.173 118 HA HIS 13 HA HIS 13 -6.171 21.009 7.503 119 HB2 HIS 13 HB3 HIS 13 -8.730 19.683 6.571 120 HB3 HIS 13 HB2 HIS 13 -7.859 19.338 8.059 121 HD1 HIS 13 HD1 HIS 13 -10.666 21.172 6.858 122 HD2 HIS 13 HD2 HIS 13 -7.767 21.829 9.772 123 HE1 HIS 13 HE1 HIS 13 -11.622 22.927 8.384 124 HE2 HIS 13 HE2 HIS 13 -9.938 23.159 10.241 125 H GLN 14 H GLN 14 -4.350 20.133 6.651 126 HA GLN 14 HA GLN 14 -4.581 18.226 4.460 127 HB2 GLN 14 HB3 GLN 14 -2.197 19.526 5.771 128 HB3 GLN 14 HB2 GLN 14 -2.056 18.279 4.540 129 HG2 GLN 14 HG3 GLN 14 -3.266 19.722 2.965 130 HG3 GLN 14 HG2 GLN 14 -3.351 20.976 4.204 131 HE21 GLN 14 HE22 GLN 14 -2.069 20.995 1.561 132 HE22 GLN 14 HE21 GLN 14 -0.412 21.394 1.860 133 H ASP 15 H ASP 15 -3.883 16.138 4.537 134 HA ASP 15 HA ASP 15 -3.500 15.006 7.222 135 HB2 ASP 15 HB3 ASP 15 -5.345 14.040 5.923 136 HB3 ASP 15 HB2 ASP 15 -4.234 13.654 4.613 137 H LYS 16 H LYS 16 -1.430 14.876 7.755 138 HA LYS 16 HA LYS 16 0.576 14.747 5.640 139 HB2 LYS 16 HB3 LYS 16 0.820 15.327 8.594 140 HB3 LYS 16 HB2 LYS 16 2.166 15.327 7.461 141 HG2 LYS 16 HG3 LYS 16 1.209 17.169 6.247 142 HG3 LYS 16 HG2 LYS 16 -0.244 17.117 7.247 143 HD2 LYS 16 HD3 LYS 16 1.086 17.696 9.215 144 HD3 LYS 16 HD2 LYS 16 2.547 17.728 8.224 145 HE2 LYS 16 HE3 LYS 16 0.146 19.497 7.780 146 HE3 LYS 16 HE2 LYS 16 1.578 19.976 8.688 147 HZ1 LYS 16 HZ1 LYS 16 2.912 19.701 6.719 148 HZ2 LYS 16 HZ2 LYS 16 1.621 20.748 6.377 149 HZ3 LYS 16 HZ3 LYS 16 1.581 19.144 5.835 150 H ARG 17 H ARG 17 -0.898 12.746 7.973 151 HA ARG 17 HA ARG 17 1.322 10.847 7.993 152 HB2 ARG 17 HB3 ARG 17 0.049 11.392 10.088 153 HB3 ARG 17 HB2 ARG 17 -1.368 10.642 9.369 154 HG2 ARG 17 HG3 ARG 17 -0.327 8.498 9.367 155 HG3 ARG 17 HG2 ARG 17 1.231 9.193 9.820 156 HD2 ARG 17 HD3 ARG 17 -1.250 9.304 11.532 157 HD3 ARG 17 HD2 ARG 17 0.021 8.096 11.702 158 HE ARG 17 HE ARG 17 1.424 10.362 11.903 159 HH11 ARG 17 HH11 ARG 17 -1.527 9.308 13.487 160 HH12 ARG 17 HH12 ARG 17 -1.254 10.288 14.899 161 HH21 ARG 17 HH22 ARG 17 1.781 11.609 13.795 162 HH22 ARG 17 HH21 ARG 17 0.603 11.588 15.071 163 H VAL 18 H VAL 18 -0.745 11.612 5.770 164 HA VAL 18 HA VAL 18 -2.292 9.377 5.143 165 HB VAL 18 HB VAL 18 -2.438 11.676 4.097 166 HG11 VAL 18 HG11 VAL 18 -0.106 11.964 3.488 167 HG12 VAL 18 HG12 VAL 18 -1.138 12.077 2.062 168 HG13 VAL 18 HG13 VAL 18 -0.215 10.606 2.368 169 HG21 VAL 18 HG21 VAL 18 -2.440 9.297 2.242 170 HG22 VAL 18 HG22 VAL 18 -3.249 10.836 1.942 171 HG23 VAL 18 HG23 VAL 18 -3.769 9.812 3.281 172 H HIS 19 H HIS 19 1.084 9.725 5.054 173 HA HIS 19 HA HIS 19 1.917 8.083 2.981 174 HB2 HIS 19 HB3 HIS 19 3.443 9.347 4.463 175 HB3 HIS 19 HB2 HIS 19 3.073 8.238 5.778 176 HD1 HIS 19 HD1 HIS 19 4.294 5.996 5.820 177 HD2 HIS 19 HD2 HIS 19 5.078 8.252 2.405 178 HE1 HIS 19 HE1 HIS 19 6.230 4.864 4.678 179 HE2 HIS 19 HE2 HIS 19 6.558 6.124 2.519 180 H GLU 20 H GLU 20 0.431 7.261 6.036 181 HA GLU 20 HA GLU 20 0.825 4.407 5.561 182 HB2 GLU 20 HB3 GLU 20 -0.547 5.776 7.879 183 HB3 GLU 20 HB2 GLU 20 -0.093 4.082 7.786 184 HG2 GLU 20 HG3 GLU 20 1.770 6.442 7.909 185 HG3 GLU 20 HG2 GLU 20 1.452 5.272 9.189 186 H LEU 21 H LEU 21 -1.693 6.856 5.531 187 HA LEU 21 HA LEU 21 -3.797 4.881 5.576 188 HB2 LEU 21 HB3 LEU 21 -3.900 7.889 5.298 189 HB3 LEU 21 HB2 LEU 21 -5.320 6.868 5.330 190 HG LEU 21 HG LEU 21 -4.675 6.150 7.642 191 HD11 LEU 21 HD11 LEU 21 -3.086 7.502 8.884 192 HD12 LEU 21 HD12 LEU 21 -2.689 8.407 7.423 193 HD13 LEU 21 HD13 LEU 21 -2.289 6.693 7.537 194 HD21 LEU 21 HD21 LEU 21 -6.357 7.874 7.218 195 HD22 LEU 21 HD22 LEU 21 -5.094 9.104 7.216 196 HD23 LEU 21 HD23 LEU 21 -5.448 8.206 8.693 197 H ALA 22 H ALA 22 -2.127 6.732 3.161 198 HA ALA 22 HA ALA 22 -4.005 6.734 1.106 199 HB1 ALA 22 HB1 ALA 22 -1.020 6.399 0.835 200 HB2 ALA 22 HB2 ALA 22 -1.871 7.935 1.004 201 HB3 ALA 22 HB3 ALA 22 -2.130 6.937 -0.426 202 H ARG 23 H ARG 23 -2.045 4.161 2.363 203 HA ARG 23 HA ARG 23 -2.358 2.405 0.124 204 HB2 ARG 23 HB3 ARG 23 -0.965 0.967 1.281 205 HB3 ARG 23 HB2 ARG 23 -0.526 2.515 1.984 206 HG2 ARG 23 HG3 ARG 23 -2.020 2.034 3.888 207 HG3 ARG 23 HG2 ARG 23 -2.299 0.427 3.211 208 HD2 ARG 23 HD3 ARG 23 -0.547 0.459 4.969 209 HD3 ARG 23 HD2 ARG 23 0.041 -0.117 3.409 210 HE ARG 23 HE ARG 23 0.846 2.287 3.138 211 HH11 ARG 23 HH11 ARG 23 0.715 0.603 6.207 212 HH12 ARG 23 HH12 ARG 23 1.914 1.620 6.951 213 HH21 ARG 23 HH22 ARG 23 2.449 3.594 4.117 214 HH22 ARG 23 HH21 ARG 23 2.902 3.297 5.770 215 H VAL 24 H VAL 24 -3.994 2.950 3.158 216 HA VAL 24 HA VAL 24 -5.583 0.567 3.078 217 HB VAL 24 HB VAL 24 -5.996 3.089 4.700 218 HG11 VAL 24 HG11 VAL 24 -7.255 1.651 6.227 219 HG12 VAL 24 HG12 VAL 24 -7.043 0.294 5.118 220 HG13 VAL 24 HG13 VAL 24 -7.988 1.698 4.622 221 HG21 VAL 24 HG21 VAL 24 -3.789 2.139 5.101 222 HG22 VAL 24 HG22 VAL 24 -4.515 0.562 5.417 223 HG23 VAL 24 HG23 VAL 24 -4.834 1.914 6.504 224 H LYS 25 H LYS 25 -6.019 3.966 2.272 225 HA LYS 25 HA LYS 25 -8.780 3.807 1.669 226 HB2 LYS 25 HB3 LYS 25 -7.205 5.858 2.125 227 HB3 LYS 25 HB2 LYS 25 -6.963 5.817 0.385 228 HG2 LYS 25 HG3 LYS 25 -9.721 5.879 1.548 229 HG3 LYS 25 HG2 LYS 25 -8.780 7.357 1.359 230 HD2 LYS 25 HD3 LYS 25 -8.606 6.991 -1.016 231 HD3 LYS 25 HD2 LYS 25 -9.406 5.425 -0.867 232 HE2 LYS 25 HE3 LYS 25 -11.460 6.447 -0.233 233 HE3 LYS 25 HE2 LYS 25 -10.691 8.024 -0.061 234 HZ1 LYS 25 HZ1 LYS 25 -10.324 8.107 -2.411 235 HZ2 LYS 25 HZ2 LYS 25 -11.967 7.793 -2.134 236 HZ3 LYS 25 HZ3 LYS 25 -10.929 6.538 -2.623 237 H PHE 26 H PHE 26 -5.848 3.389 -0.250 238 HA PHE 26 HA PHE 26 -7.047 3.222 -2.780 239 HB2 PHE 26 HB3 PHE 26 -4.635 3.406 -2.560 240 HB3 PHE 26 HB2 PHE 26 -4.558 1.856 -1.729 241 HD1 PHE 26 HD1 PHE 26 -5.607 3.370 -4.969 242 HD2 PHE 26 HD2 PHE 26 -4.139 -0.067 -2.933 243 HE1 PHE 26 HE1 PHE 26 -5.317 2.219 -7.128 244 HE2 PHE 26 HE2 PHE 26 -3.843 -1.222 -5.084 245 HZ PHE 26 HZ PHE 26 -4.440 -0.086 -7.184 246 H MET 27 H MET 27 -6.272 0.655 -0.431 247 HA MET 27 HA MET 27 -7.321 -1.498 -1.882 248 HB2 MET 27 HB3 MET 27 -7.075 -1.052 1.088 249 HB3 MET 27 HB2 MET 27 -7.604 -2.575 0.384 250 HG2 MET 27 HG3 MET 27 -5.486 -2.756 -0.818 251 HG3 MET 27 HG2 MET 27 -4.955 -1.233 -0.110 252 HE1 MET 27 HE1 MET 27 -2.729 -2.454 0.711 253 HE2 MET 27 HE2 MET 27 -3.300 -3.972 0.015 254 HE3 MET 27 HE3 MET 27 -2.727 -3.925 1.683 255 H GLN 28 H GLN 28 -8.911 0.728 0.372 256 HA GLN 28 HA GLN 28 -11.435 -0.495 0.410 257 HB2 GLN 28 HB3 GLN 28 -10.684 1.354 1.921 258 HB3 GLN 28 HB2 GLN 28 -10.878 2.468 0.573 259 HG2 GLN 28 HG3 GLN 28 -13.288 1.596 0.468 260 HG3 GLN 28 HG2 GLN 28 -12.975 0.966 2.084 261 HE21 GLN 28 HE22 GLN 28 -14.446 2.306 3.071 262 HE22 GLN 28 HE21 GLN 28 -14.184 4.010 3.245 263 H ASP 29 H ASP 29 -10.105 2.002 -1.730 264 HA ASP 29 HA ASP 29 -12.447 2.475 -3.203 265 HB2 ASP 29 HB3 ASP 29 -9.542 2.926 -3.727 266 HB3 ASP 29 HB2 ASP 29 -10.686 3.105 -5.054 267 H VAL 30 H VAL 30 -9.823 0.178 -3.707 268 HA VAL 30 HA VAL 30 -10.674 -0.621 -6.287 269 HB VAL 30 HB VAL 30 -8.869 -2.071 -4.348 270 HG11 VAL 30 HG11 VAL 30 -9.704 -3.577 -6.059 271 HG12 VAL 30 HG12 VAL 30 -8.002 -3.209 -6.346 272 HG13 VAL 30 HG13 VAL 30 -9.249 -2.428 -7.317 273 HG21 VAL 30 HG21 VAL 30 -8.232 -0.190 -6.617 274 HG22 VAL 30 HG22 VAL 30 -7.050 -1.077 -5.655 275 HG23 VAL 30 HG23 VAL 30 -8.057 0.157 -4.897 276 H VAL 31 H VAL 31 -11.276 -1.959 -3.047 277 HA VAL 31 HA VAL 31 -12.570 -4.309 -4.052 278 HB VAL 31 HB VAL 31 -13.286 -4.735 -1.753 279 HG11 VAL 31 HG11 VAL 31 -11.052 -5.396 -2.421 280 HG12 VAL 31 HG12 VAL 31 -11.070 -4.901 -0.728 281 HG13 VAL 31 HG13 VAL 31 -10.428 -3.814 -1.958 282 HG21 VAL 31 HG21 VAL 31 -12.651 -3.216 0.066 283 HG22 VAL 31 HG22 VAL 31 -13.800 -2.467 -1.044 284 HG23 VAL 31 HG23 VAL 31 -12.090 -2.039 -1.122 285 H ASN 32 H ASN 32 -13.621 -1.096 -3.258 286 HA ASN 32 HA ASN 32 -16.427 -1.801 -3.311 287 HB2 ASN 32 HB3 ASN 32 -14.846 0.676 -2.840 288 HB3 ASN 32 HB2 ASN 32 -16.488 0.878 -3.445 289 HD21 ASN 32 HD22 ASN 32 -15.238 1.522 -0.850 290 HD22 ASN 32 HD21 ASN 32 -16.231 0.748 0.341 291 H SER 33 H SER 33 -14.000 -0.894 -5.520 292 HA SER 33 HA SER 33 -15.874 -0.039 -7.569 293 HB2 SER 33 HB3 SER 33 -13.702 1.123 -7.336 294 HB3 SER 33 HB2 SER 33 -12.863 -0.392 -7.662 295 HG SER 33 HG SER 33 -12.970 0.742 -9.562 296 H ASP 34 H ASP 34 -15.829 -1.105 -9.700 297 HA ASP 34 HA ASP 34 -16.123 -3.940 -9.412 298 HB2 ASP 34 HB3 ASP 34 -16.764 -3.939 -11.758 299 HB3 ASP 34 HB2 ASP 34 -17.538 -2.581 -10.948 300 H THR 35 H THR 35 -13.465 -2.019 -9.842 301 HA THR 35 HA THR 35 -11.777 -3.370 -11.553 302 HB THR 35 HB THR 35 -11.065 -2.173 -8.864 303 HG1 THR 35 HG1 THR 35 -10.943 -0.960 -11.448 304 HG21 THR 35 HG21 THR 35 -9.268 -3.572 -9.796 305 HG22 THR 35 HG22 THR 35 -8.831 -1.862 -9.807 306 HG23 THR 35 HG23 THR 35 -9.340 -2.651 -11.300 307 H PHE 36 H PHE 36 -12.187 -3.987 -8.041 308 HA PHE 36 HA PHE 36 -11.452 -6.780 -8.570 309 HB2 PHE 36 HB3 PHE 36 -10.021 -4.870 -6.812 310 HB3 PHE 36 HB2 PHE 36 -10.233 -6.508 -6.202 311 HD1 PHE 36 HD2 PHE 36 -9.308 -8.421 -7.471 312 HD2 PHE 36 HD1 PHE 36 -8.462 -4.388 -8.530 313 HE1 PHE 36 HE2 PHE 36 -7.387 -9.179 -8.804 314 HE2 PHE 36 HE1 PHE 36 -6.539 -5.142 -9.865 315 HZ PHE 36 HZ PHE 36 -5.999 -7.539 -10.005 316 H LYS 37 H LYS 37 -14.021 -5.324 -7.850 317 HA LYS 37 HA LYS 37 -14.696 -6.128 -5.213 318 HB2 LYS 37 HB3 LYS 37 -15.978 -4.486 -6.680 319 HB3 LYS 37 HB2 LYS 37 -16.651 -5.889 -7.503 320 HG2 LYS 37 HG3 LYS 37 -17.757 -6.629 -5.554 321 HG3 LYS 37 HG2 LYS 37 -16.857 -5.510 -4.531 322 HD2 LYS 37 HD3 LYS 37 -19.080 -4.661 -4.824 323 HD3 LYS 37 HD2 LYS 37 -17.964 -3.627 -5.712 324 HE2 LYS 37 HE3 LYS 37 -18.572 -4.687 -7.792 325 HE3 LYS 37 HE2 LYS 37 -19.599 -5.842 -6.940 326 HZ1 LYS 37 HZ1 LYS 37 -21.041 -4.064 -6.262 327 HZ2 LYS 37 HZ2 LYS 37 -20.851 -4.001 -7.947 328 HZ3 LYS 37 HZ3 LYS 37 -20.021 -2.902 -6.958 329 H GLY 38 H GLY 38 -14.095 -7.886 -8.025 330 HA2 GLY 38 HA3 GLY 38 -15.804 -10.128 -7.610 331 HA3 GLY 38 HA2 GLY 38 -14.358 -10.093 -8.608 332 H GLN 39 H GLN 39 -12.858 -9.088 -6.151 333 HA GLN 39 HA GLN 39 -12.675 -11.674 -4.759 334 HB2 GLN 39 HB3 GLN 39 -10.518 -9.690 -5.458 335 HB3 GLN 39 HB2 GLN 39 -10.298 -10.895 -4.197 336 HG2 GLN 39 HG3 GLN 39 -10.773 -12.656 -5.883 337 HG3 GLN 39 HG2 GLN 39 -10.804 -11.397 -7.118 338 HE21 GLN 39 HE22 GLN 39 -8.819 -13.144 -4.849 339 HE22 GLN 39 HE21 GLN 39 -7.292 -12.721 -5.546 340 HA PRO 40 HA PRO 40 -14.113 -8.890 -1.429 341 HB2 PRO 40 HB2 PRO 40 -14.566 -11.526 -0.165 342 HB3 PRO 40 HB3 PRO 40 -15.681 -10.171 -0.361 343 HG2 PRO 40 HG3 PRO 40 -15.944 -12.409 -1.805 344 HG3 PRO 40 HG2 PRO 40 -16.296 -10.815 -2.496 345 HD2 PRO 40 HD3 PRO 40 -13.882 -12.548 -2.856 346 HD3 PRO 40 HD2 PRO 40 -14.747 -11.556 -4.050 347 H ILE 41 H ILE 41 -12.003 -11.662 -1.490 348 HA ILE 41 HA ILE 41 -10.416 -10.500 0.698 349 HB ILE 41 HB ILE 41 -10.602 -13.453 0.061 350 HG12 ILE 41 HG13 ILE 41 -12.757 -12.640 0.951 351 HG13 ILE 41 HG12 ILE 41 -11.935 -13.689 2.101 352 HG21 ILE 41 HG21 ILE 41 -8.504 -12.681 1.081 353 HG22 ILE 41 HG22 ILE 41 -9.419 -13.736 2.162 354 HG23 ILE 41 HG23 ILE 41 -9.423 -11.988 2.423 355 HD11 ILE 41 HD11 ILE 41 -11.994 -10.683 2.196 356 HD12 ILE 41 HD12 ILE 41 -11.190 -11.741 3.355 357 HD13 ILE 41 HD13 ILE 41 -12.947 -11.775 3.201 358 H PHE 42 H PHE 42 -8.324 -10.102 0.170 359 HA PHE 42 HA PHE 42 -7.515 -10.733 -2.547 360 HB2 PHE 42 HB3 PHE 42 -6.452 -8.860 -0.459 361 HB3 PHE 42 HB2 PHE 42 -5.490 -9.276 -1.871 362 HD1 PHE 42 HD1 PHE 42 -7.147 -9.230 -4.106 363 HD2 PHE 42 HD2 PHE 42 -7.410 -6.796 -0.626 364 HE1 PHE 42 HE1 PHE 42 -8.282 -7.486 -5.417 365 HE2 PHE 42 HE2 PHE 42 -8.550 -5.051 -1.929 366 HZ PHE 42 HZ PHE 42 -8.988 -5.395 -4.328 367 H ASP 43 H ASP 43 -5.863 -11.973 -3.134 368 HA ASP 43 HA ASP 43 -4.597 -13.701 -1.198 369 HB2 ASP 43 HB3 ASP 43 -3.423 -14.601 -3.240 370 HB3 ASP 43 HB2 ASP 43 -5.180 -14.693 -3.314 371 H HIS 44 H HIS 44 -2.067 -13.974 -1.665 372 HA HIS 44 HA HIS 44 -1.059 -11.372 -0.841 373 HB2 HIS 44 HB3 HIS 44 0.048 -14.160 -0.641 374 HB3 HIS 44 HB2 HIS 44 1.032 -12.740 -0.286 375 HD1 HIS 44 HD1 HIS 44 -0.331 -15.097 1.667 376 HD2 HIS 44 HD2 HIS 44 -1.144 -11.021 1.430 377 HE1 HIS 44 HE1 HIS 44 -1.361 -14.473 3.880 378 HE2 HIS 44 HE2 HIS 44 -2.022 -12.054 3.630 379 H ALA 45 H ALA 45 -1.058 -13.312 -3.639 380 HA ALA 45 HA ALA 45 1.286 -12.244 -4.861 381 HB1 ALA 45 HB1 ALA 45 0.294 -12.999 -6.967 382 HB2 ALA 45 HB2 ALA 45 -1.241 -13.287 -6.146 383 HB3 ALA 45 HB3 ALA 45 0.179 -14.248 -5.728 384 H HIS 46 H HIS 46 -2.163 -11.407 -5.051 385 HA HIS 46 HA HIS 46 -1.736 -8.960 -6.440 386 HB2 HIS 46 HB3 HIS 46 -4.058 -10.037 -4.852 387 HB3 HIS 46 HB2 HIS 46 -4.084 -8.423 -5.555 388 HD1 HIS 46 HD1 HIS 46 -4.569 -11.973 -6.376 389 HD2 HIS 46 HD2 HIS 46 -3.960 -8.410 -8.435 390 HE1 HIS 46 HE1 HIS 46 -5.194 -12.451 -8.765 391 HE2 HIS 46 HE2 HIS 46 -4.564 -10.362 -10.018 392 H THR 47 H THR 47 -1.514 -9.893 -3.111 393 HA THR 47 HA THR 47 -1.569 -7.380 -1.886 394 HB THR 47 HB THR 47 0.136 -9.788 -1.232 395 HG1 THR 47 HG1 THR 47 -2.331 -9.712 -1.055 396 HG21 THR 47 HG21 THR 47 -0.338 -7.273 0.370 397 HG22 THR 47 HG22 THR 47 1.197 -7.831 -0.297 398 HG23 THR 47 HG23 THR 47 0.414 -8.742 0.998 399 H ARG 48 H ARG 48 1.226 -9.180 -3.198 400 HA ARG 48 HA ARG 48 3.118 -7.136 -2.852 401 HB2 ARG 48 HB3 ARG 48 3.578 -9.564 -3.416 402 HB3 ARG 48 HB2 ARG 48 3.134 -9.182 -5.075 403 HG2 ARG 48 HG3 ARG 48 4.931 -7.427 -5.040 404 HG3 ARG 48 HG2 ARG 48 5.449 -8.103 -3.495 405 HD2 ARG 48 HD3 ARG 48 5.511 -10.350 -4.766 406 HD3 ARG 48 HD2 ARG 48 5.506 -9.349 -6.218 407 HE ARG 48 HE ARG 48 7.566 -9.163 -4.110 408 HH11 ARG 48 HH11 ARG 48 6.611 -9.057 -7.489 409 HH12 ARG 48 HH12 ARG 48 8.234 -8.832 -8.068 410 HH21 ARG 48 HH22 ARG 48 9.697 -8.890 -4.876 411 HH22 ARG 48 HH21 ARG 48 9.984 -8.736 -6.592 412 H GLU 49 H GLU 49 0.962 -7.923 -5.505 413 HA GLU 49 HA GLU 49 1.829 -6.100 -7.420 414 HB2 GLU 49 HB3 GLU 49 0.199 -7.914 -7.808 415 HB3 GLU 49 HB2 GLU 49 -0.990 -7.040 -6.855 416 HG2 GLU 49 HG3 GLU 49 -0.995 -5.239 -8.489 417 HG3 GLU 49 HG2 GLU 49 0.228 -6.087 -9.438 418 H PHE 50 H PHE 50 -0.654 -5.712 -4.907 419 HA PHE 50 HA PHE 50 -1.219 -3.001 -5.520 420 HB2 PHE 50 HB3 PHE 50 -1.860 -4.823 -3.235 421 HB3 PHE 50 HB2 PHE 50 -2.173 -3.099 -3.079 422 HD1 PHE 50 HD2 PHE 50 -2.553 -5.314 -6.051 423 HD2 PHE 50 HD1 PHE 50 -4.469 -2.896 -3.123 424 HE1 PHE 50 HE2 PHE 50 -4.688 -5.576 -7.240 425 HE2 PHE 50 HE1 PHE 50 -6.610 -3.152 -4.307 426 HZ PHE 50 HZ PHE 50 -6.718 -4.488 -6.371 427 H ILE 51 H ILE 51 0.813 -4.509 -3.004 428 HA ILE 51 HA ILE 51 1.537 -2.165 -1.676 429 HB ILE 51 HB ILE 51 3.142 -4.698 -2.014 430 HG12 ILE 51 HG13 ILE 51 1.395 -3.700 0.249 431 HG13 ILE 51 HG12 ILE 51 0.979 -4.988 -0.878 432 HG21 ILE 51 HG21 ILE 51 3.558 -2.410 -0.090 433 HG22 ILE 51 HG22 ILE 51 4.611 -2.841 -1.436 434 HG23 ILE 51 HG23 ILE 51 4.433 -3.941 -0.069 435 HD11 ILE 51 HD11 ILE 51 1.710 -5.882 1.255 436 HD12 ILE 51 HD12 ILE 51 3.249 -5.036 1.097 437 HD13 ILE 51 HD13 ILE 51 2.832 -6.328 -0.031 438 H GLN 52 H GLN 52 3.183 -3.850 -4.341 439 HA GLN 52 HA GLN 52 5.342 -2.044 -4.518 440 HB2 GLN 52 HB3 GLN 52 5.378 -4.329 -5.465 441 HB3 GLN 52 HB2 GLN 52 4.213 -3.828 -6.683 442 HG2 GLN 52 HG3 GLN 52 6.483 -3.875 -7.567 443 HG3 GLN 52 HG2 GLN 52 5.809 -2.246 -7.595 444 HE21 GLN 52 HE22 GLN 52 7.826 -1.279 -7.652 445 HE22 GLN 52 HE21 GLN 52 8.872 -1.252 -6.272 446 H SER 53 H SER 53 2.150 -2.091 -6.011 447 HA SER 53 HA SER 53 2.654 -0.058 -7.915 448 HB2 SER 53 HB3 SER 53 0.695 -1.675 -7.906 449 HB3 SER 53 HB2 SER 53 -0.025 -0.666 -6.652 450 HG SER 53 HG SER 53 -0.343 0.925 -8.070 451 H PHE 54 H PHE 54 1.675 -0.029 -4.545 452 HA PHE 54 HA PHE 54 1.011 2.694 -4.311 453 HB2 PHE 54 HB3 PHE 54 0.464 1.105 -2.557 454 HB3 PHE 54 HB2 PHE 54 2.167 0.765 -2.284 455 HD1 PHE 54 HD2 PHE 54 -0.320 3.528 -2.145 456 HD2 PHE 54 HD1 PHE 54 3.335 1.931 -0.660 457 HE1 PHE 54 HE2 PHE 54 -0.245 5.295 -0.436 458 HE2 PHE 54 HE1 PHE 54 3.414 3.694 1.052 459 HZ PHE 54 HZ PHE 54 1.623 5.380 1.165 460 H ILE 55 H ILE 55 4.089 0.990 -3.820 461 HA ILE 55 HA ILE 55 5.589 3.379 -3.322 462 HB ILE 55 HB ILE 55 6.638 0.665 -4.160 463 HG12 ILE 55 HG13 ILE 55 6.140 1.731 -1.369 464 HG13 ILE 55 HG12 ILE 55 5.144 0.530 -2.184 465 HG21 ILE 55 HG21 ILE 55 8.680 1.355 -2.997 466 HG22 ILE 55 HG22 ILE 55 7.949 2.919 -2.639 467 HG23 ILE 55 HG23 ILE 55 8.283 2.465 -4.311 468 HD11 ILE 55 HD11 ILE 55 8.038 0.205 -1.428 469 HD12 ILE 55 HD12 ILE 55 7.042 -1.000 -2.246 470 HD13 ILE 55 HD13 ILE 55 6.654 -0.506 -0.597 471 H GLU 56 H GLU 56 4.436 1.805 -6.099 472 HA GLU 56 HA GLU 56 6.445 2.755 -7.924 473 HB2 GLU 56 HB3 GLU 56 5.116 0.649 -8.223 474 HB3 GLU 56 HB2 GLU 56 3.705 1.645 -8.540 475 HG2 GLU 56 HG3 GLU 56 4.667 2.507 -10.534 476 HG3 GLU 56 HG2 GLU 56 6.231 1.780 -10.159 477 H ARG 57 H ARG 57 3.519 3.956 -6.569 478 HA ARG 57 HA ARG 57 2.706 5.806 -8.512 479 HB2 ARG 57 HB3 ARG 57 1.489 5.100 -6.396 480 HB3 ARG 57 HB2 ARG 57 2.534 6.203 -5.517 481 HG2 ARG 57 HG3 ARG 57 0.888 7.176 -7.816 482 HG3 ARG 57 HG2 ARG 57 0.173 6.974 -6.218 483 HD2 ARG 57 HD3 ARG 57 1.813 8.501 -5.272 484 HD3 ARG 57 HD2 ARG 57 2.593 8.662 -6.844 485 HE ARG 57 HE ARG 57 -0.183 9.359 -6.929 486 HH11 ARG 57 HH11 ARG 57 3.010 10.542 -6.107 487 HH12 ARG 57 HH12 ARG 57 2.596 12.211 -6.349 488 HH21 ARG 57 HH22 ARG 57 -0.738 11.543 -7.229 489 HH22 ARG 57 HH21 ARG 57 0.440 12.789 -6.939 490 H ASP 58 H ASP 58 5.428 5.852 -6.355 491 HA ASP 58 HA ASP 58 5.895 8.647 -6.432 492 HB2 ASP 58 HB3 ASP 58 7.612 6.290 -5.741 493 HB3 ASP 58 HB2 ASP 58 8.313 7.902 -5.862 494 H ASP 59 H ASP 59 6.146 6.319 -8.861 495 HA ASP 59 HA ASP 59 8.285 7.439 -10.358 496 HB2 ASP 59 HB3 ASP 59 7.763 5.910 -11.966 497 HB3 ASP 59 HB2 ASP 59 6.795 5.200 -10.681 498 H THR 60 H THR 60 4.922 8.202 -9.921 499 HA THR 60 HA THR 60 4.563 10.000 -12.050 500 HB THR 60 HB THR 60 3.246 10.284 -9.352 501 HG1 THR 60 HG1 THR 60 2.684 8.358 -11.396 502 HG21 THR 60 HG21 THR 60 2.678 11.952 -11.051 503 HG22 THR 60 HG22 THR 60 1.302 10.906 -10.700 504 HG23 THR 60 HG23 THR 60 2.240 10.662 -12.173 505 H GLU 61 H GLU 61 5.832 10.377 -8.791 506 HA GLU 61 HA GLU 61 6.094 13.205 -8.853 507 HB2 GLU 61 HB3 GLU 61 7.599 11.165 -7.204 508 HB3 GLU 61 HB2 GLU 61 7.541 12.894 -6.891 509 HG2 GLU 61 HG3 GLU 61 5.145 11.078 -6.873 510 HG3 GLU 61 HG2 GLU 61 6.057 11.553 -5.441 511 H LEU 62 H LEU 62 8.314 10.517 -9.424 512 HA LEU 62 HA LEU 62 10.594 12.063 -9.991 513 HB2 LEU 62 HB3 LEU 62 10.508 9.607 -9.447 514 HB3 LEU 62 HB2 LEU 62 9.943 9.327 -11.083 515 HG LEU 62 HG LEU 62 12.041 10.213 -11.979 516 HD11 LEU 62 HD11 LEU 62 12.834 10.508 -9.087 517 HD12 LEU 62 HD12 LEU 62 12.538 11.822 -10.227 518 HD13 LEU 62 HD13 LEU 62 13.898 10.727 -10.477 519 HD21 LEU 62 HD21 LEU 62 13.507 8.410 -11.255 520 HD22 LEU 62 HD22 LEU 62 11.859 7.820 -11.474 521 HD23 LEU 62 HD23 LEU 62 12.481 8.121 -9.849 522 H ASP 63 H ASP 63 7.932 10.963 -11.977 523 HA ASP 63 HA ASP 63 8.987 11.528 -14.510 524 HB2 ASP 63 HB3 ASP 63 6.942 10.217 -14.191 525 HB3 ASP 63 HB2 ASP 63 6.113 11.639 -13.566 526 H GLU 64 H GLU 64 7.141 13.548 -12.243 527 HA GLU 64 HA GLU 64 7.071 15.791 -13.976 528 HB2 GLU 64 HB3 GLU 64 6.719 15.640 -10.985 529 HB3 GLU 64 HB2 GLU 64 6.407 17.074 -11.957 530 HG2 GLU 64 HG3 GLU 64 4.866 15.405 -13.292 531 HG3 GLU 64 HG2 GLU 64 4.875 14.543 -11.754 532 H LEU 65 H LEU 65 9.407 14.639 -11.644 533 HA LEU 65 HA LEU 65 11.001 16.985 -11.566 534 HB2 LEU 65 HB3 LEU 65 11.765 14.085 -11.213 535 HB3 LEU 65 HB2 LEU 65 12.839 15.433 -10.892 536 HG LEU 65 HG LEU 65 10.247 14.881 -9.442 537 HD11 LEU 65 HD11 LEU 65 11.674 14.316 -7.550 538 HD12 LEU 65 HD12 LEU 65 13.108 14.558 -8.548 539 HD13 LEU 65 HD13 LEU 65 11.985 13.249 -8.920 540 HD21 LEU 65 HD21 LEU 65 12.379 16.963 -8.961 541 HD22 LEU 65 HD22 LEU 65 10.984 16.656 -7.926 542 HD23 LEU 65 HD23 LEU 65 10.749 17.263 -9.564 543 H LYS 66 H LYS 66 10.706 14.313 -13.769 544 HA LYS 66 HA LYS 66 12.945 15.063 -15.422 545 HB2 LYS 66 HB3 LYS 66 10.646 13.138 -15.823 546 HB3 LYS 66 HB2 LYS 66 11.967 13.339 -16.967 547 HG2 LYS 66 HG3 LYS 66 13.544 12.457 -15.440 548 HG3 LYS 66 HG2 LYS 66 12.397 12.545 -14.100 549 HD2 LYS 66 HD3 LYS 66 10.993 10.863 -15.200 550 HD3 LYS 66 HD2 LYS 66 12.145 10.777 -16.534 551 HE2 LYS 66 HE3 LYS 66 12.858 10.182 -13.669 552 HE3 LYS 66 HE2 LYS 66 12.342 8.952 -14.820 553 HZ1 LYS 66 HZ1 LYS 66 14.716 10.710 -15.141 554 HZ2 LYS 66 HZ2 LYS 66 14.221 9.495 -16.215 555 HZ3 LYS 66 HZ3 LYS 66 14.753 9.087 -14.656 556 H LYS 67 H LYS 67 9.843 16.219 -14.966 557 HA LYS 67 HA LYS 67 9.456 17.065 -17.739 558 HB2 LYS 67 HB3 LYS 67 7.570 15.981 -16.669 559 HB3 LYS 67 HB2 LYS 67 7.629 17.122 -15.335 560 HG2 LYS 67 HG3 LYS 67 7.044 18.935 -16.891 561 HG3 LYS 67 HG2 LYS 67 6.927 17.749 -18.194 562 HD2 LYS 67 HD3 LYS 67 5.141 16.599 -17.029 563 HD3 LYS 67 HD2 LYS 67 5.296 17.698 -15.656 564 HE2 LYS 67 HE3 LYS 67 4.661 19.574 -17.096 565 HE3 LYS 67 HE2 LYS 67 4.495 18.468 -18.459 566 HZ1 LYS 67 HZ1 LYS 67 2.721 17.336 -17.318 567 HZ2 LYS 67 HZ2 LYS 67 2.366 18.992 -17.410 568 HZ3 LYS 67 HZ3 LYS 67 2.908 18.324 -15.953 569 H LYS 68 H LYS 68 10.088 18.346 -14.538 570 HA LYS 68 HA LYS 68 9.443 21.053 -15.254 571 HB2 LYS 68 HB3 LYS 68 10.719 19.852 -12.799 572 HB3 LYS 68 HB2 LYS 68 10.412 21.576 -12.981 573 HG2 LYS 68 HG3 LYS 68 8.039 21.163 -13.207 574 HG3 LYS 68 HG2 LYS 68 8.311 19.424 -13.133 575 HD2 LYS 68 HD3 LYS 68 9.129 19.632 -10.846 576 HD3 LYS 68 HD2 LYS 68 8.923 21.385 -10.919 577 HE2 LYS 68 HE3 LYS 68 6.526 21.102 -11.248 578 HE3 LYS 68 HE2 LYS 68 6.715 19.351 -11.225 579 HZ1 LYS 68 HZ1 LYS 68 7.418 21.118 -8.945 580 HZ2 LYS 68 HZ2 LYS 68 7.356 19.424 -8.947 581 HZ3 LYS 68 HZ3 LYS 68 5.929 20.324 -9.102 582 H ARG 69 H ARG 69 12.024 19.146 -15.972 583 HA ARG 69 HA ARG 69 13.447 21.521 -16.908 584 HB2 ARG 69 HB3 ARG 69 14.699 19.217 -15.419 585 HB3 ARG 69 HB2 ARG 69 15.627 20.174 -16.564 586 HG2 ARG 69 HG3 ARG 69 14.965 22.203 -15.221 587 HG3 ARG 69 HG2 ARG 69 14.349 21.084 -14.004 588 HD2 ARG 69 HD3 ARG 69 16.541 20.106 -13.730 589 HD3 ARG 69 HD2 ARG 69 17.181 21.092 -15.045 590 HE ARG 69 HE ARG 69 16.031 22.491 -12.755 591 HH11 ARG 69 HH11 ARG 69 18.944 21.334 -14.343 592 HH12 ARG 69 HH12 ARG 69 19.974 22.507 -13.587 593 HH21 ARG 69 HH22 ARG 69 17.391 24.036 -11.765 594 HH22 ARG 69 HH21 ARG 69 19.092 24.056 -12.137 595 H ARG 70 H ARG 70 15.103 20.736 -18.676 596 HA ARG 70 HA ARG 70 13.590 19.144 -20.511 597 HB2 ARG 70 HB3 ARG 70 16.407 20.222 -20.735 598 HB3 ARG 70 HB2 ARG 70 15.519 19.449 -22.042 599 HG2 ARG 70 HG3 ARG 70 13.749 21.267 -21.644 600 HG3 ARG 70 HG2 ARG 70 15.015 22.096 -20.738 601 HD2 ARG 70 HD3 ARG 70 16.465 22.015 -22.717 602 HD3 ARG 70 HD2 ARG 70 15.176 21.218 -23.620 603 HE ARG 70 HE ARG 70 15.317 24.024 -22.857 604 HH11 ARG 70 HH11 ARG 70 13.337 21.424 -24.143 605 HH12 ARG 70 HH12 ARG 70 12.220 22.503 -24.920 606 HH21 ARG 70 HH22 ARG 70 13.862 25.426 -23.890 607 HH22 ARG 70 HH21 ARG 70 12.514 24.772 -24.784 608 H SER 71 H SER 71 13.996 17.099 -21.246 609 HA SER 71 HA SER 71 14.683 15.251 -19.292 610 HB2 SER 71 HB3 SER 71 14.596 14.749 -22.269 611 HB3 SER 71 HB2 SER 71 14.353 13.563 -20.987 612 HG SER 71 HG SER 71 12.415 14.435 -20.508 613 H ASN 72 H ASN 72 16.787 16.916 -21.404 614 HA ASN 72 HA ASN 72 18.812 14.991 -21.748 615 HB2 ASN 72 HB3 ASN 72 18.993 18.009 -21.705 616 HB3 ASN 72 HB2 ASN 72 20.288 16.937 -22.230 617 HD21 ASN 72 HD22 ASN 72 19.997 15.711 -24.124 618 HD22 ASN 72 HD21 ASN 72 18.851 16.192 -25.334 619 H ARG 73 H ARG 73 18.192 17.399 -19.256 620 HA ARG 73 HA ARG 73 19.591 15.773 -17.381 621 HB2 ARG 73 HB3 ARG 73 21.184 17.461 -16.579 622 HB3 ARG 73 HB2 ARG 73 21.524 16.958 -18.222 623 HG2 ARG 73 HG3 ARG 73 19.963 19.452 -17.675 624 HG3 ARG 73 HG2 ARG 73 21.725 19.444 -17.597 625 HD2 ARG 73 HD3 ARG 73 21.809 18.627 -19.910 626 HD3 ARG 73 HD2 ARG 73 20.048 18.667 -19.981 627 HE ARG 73 HE ARG 73 20.622 21.195 -19.289 628 HH11 ARG 73 HH11 ARG 73 21.961 19.130 -21.798 629 HH12 ARG 73 HH12 ARG 73 22.308 20.461 -22.866 630 HH21 ARG 73 HH22 ARG 73 21.099 22.926 -20.693 631 HH22 ARG 73 HH21 ARG 73 21.812 22.602 -22.241 632 HA PRO 74 HA PRO 74 16.203 17.968 -15.270 633 HB2 PRO 74 HB2 PRO 74 15.658 15.357 -14.111 634 HB3 PRO 74 HB3 PRO 74 14.619 16.343 -15.142 635 HG2 PRO 74 HG3 PRO 74 15.711 13.987 -15.954 636 HG3 PRO 74 HG2 PRO 74 15.339 15.318 -17.066 637 HD2 PRO 74 HD3 PRO 74 17.969 14.546 -15.847 638 HD3 PRO 74 HD2 PRO 74 17.601 15.032 -17.518 639 HA PRO 75 HA PRO 75 17.926 18.414 -11.157 640 HB2 PRO 75 HB2 PRO 75 16.099 16.906 -9.589 641 HB3 PRO 75 HB3 PRO 75 16.123 18.659 -9.827 642 HG2 PRO 75 HG3 PRO 75 14.471 16.592 -11.163 643 HG3 PRO 75 HG2 PRO 75 14.112 18.300 -10.857 644 HD2 PRO 75 HD3 PRO 75 14.708 17.398 -13.315 645 HD3 PRO 75 HD2 PRO 75 15.231 19.003 -12.762 646 H SER 76 H SER 76 19.777 17.220 -11.278 647 HA SER 76 HA SER 76 19.875 14.397 -11.224 648 HB2 SER 76 HB3 SER 76 22.074 16.321 -10.445 649 HB3 SER 76 HB2 SER 76 22.259 14.673 -11.048 650 HG SER 76 HG SER 76 20.934 15.695 -12.918 651 H ASN 77 H ASN 77 19.769 16.849 -8.755 652 HA ASN 77 HA ASN 77 20.613 15.021 -6.669 653 HB2 ASN 77 HB3 ASN 77 19.687 17.896 -6.574 654 HB3 ASN 77 HB2 ASN 77 20.189 16.975 -5.160 655 HD21 ASN 77 HD22 ASN 77 22.339 16.465 -4.877 656 HD22 ASN 77 HD21 ASN 77 23.601 17.239 -5.789 657 H ARG 78 H ARG 78 17.632 16.610 -7.733 658 HA ARG 78 HA ARG 78 16.154 15.775 -5.450 659 HB2 ARG 78 HB3 ARG 78 15.244 16.849 -8.114 660 HB3 ARG 78 HB2 ARG 78 14.147 16.474 -6.789 661 HG2 ARG 78 HG3 ARG 78 15.556 18.042 -5.377 662 HG3 ARG 78 HG2 ARG 78 16.291 18.566 -6.893 663 HD2 ARG 78 HD3 ARG 78 14.130 19.253 -7.738 664 HD3 ARG 78 HD2 ARG 78 13.340 18.639 -6.284 665 HE ARG 78 HE ARG 78 15.171 20.954 -6.384 666 HH11 ARG 78 HH11 ARG 78 12.557 19.176 -4.880 667 HH12 ARG 78 HH12 ARG 78 12.292 20.354 -3.631 668 HH21 ARG 78 HH22 ARG 78 14.836 22.507 -4.732 669 HH22 ARG 78 HH21 ARG 78 13.586 22.249 -3.553 670 H GLN 79 H GLN 79 16.678 14.350 -8.634 671 HA GLN 79 HA GLN 79 14.716 12.322 -8.378 672 HB2 GLN 79 HB3 GLN 79 17.316 12.347 -9.921 673 HB3 GLN 79 HB2 GLN 79 16.125 11.059 -10.029 674 HG2 GLN 79 HG3 GLN 79 14.469 12.847 -10.723 675 HG3 GLN 79 HG2 GLN 79 15.861 13.913 -10.908 676 HE21 GLN 79 HE22 GLN 79 15.555 14.114 -13.121 677 HE22 GLN 79 HE21 GLN 79 15.906 12.827 -14.226 678 H VAL 80 H VAL 80 18.067 12.590 -7.351 679 HA VAL 80 HA VAL 80 18.252 9.915 -6.356 680 HB VAL 80 HB VAL 80 19.915 12.355 -5.691 681 HG11 VAL 80 HG11 VAL 80 21.568 10.767 -4.810 682 HG12 VAL 80 HG12 VAL 80 20.423 9.449 -5.059 683 HG13 VAL 80 HG13 VAL 80 20.061 10.724 -3.895 684 HG21 VAL 80 HG21 VAL 80 20.064 11.704 -8.031 685 HG22 VAL 80 HG22 VAL 80 20.430 10.044 -7.560 686 HG23 VAL 80 HG23 VAL 80 21.569 11.337 -7.188 687 H LEU 81 H LEU 81 17.505 13.051 -4.935 688 HA LEU 81 HA LEU 81 17.301 12.290 -2.253 689 HB2 LEU 81 HB3 LEU 81 17.301 14.624 -3.215 690 HB3 LEU 81 HB2 LEU 81 15.623 14.372 -3.651 691 HG LEU 81 HG LEU 81 15.102 14.032 -1.238 692 HD11 LEU 81 HD11 LEU 81 16.768 14.784 0.409 693 HD12 LEU 81 HD12 LEU 81 17.963 14.913 -0.884 694 HD13 LEU 81 HD13 LEU 81 17.288 13.339 -0.459 695 HD21 LEU 81 HD21 LEU 81 15.258 16.401 -0.652 696 HD22 LEU 81 HD22 LEU 81 14.738 16.182 -2.323 697 HD23 LEU 81 HD23 LEU 81 16.402 16.651 -1.970 698 H LEU 82 H LEU 82 14.917 12.261 -4.861 699 HA LEU 82 HA LEU 82 12.754 11.299 -3.294 700 HB2 LEU 82 HB3 LEU 82 12.395 12.404 -5.432 701 HB3 LEU 82 HB2 LEU 82 13.276 11.140 -6.264 702 HG LEU 82 HG LEU 82 11.520 9.527 -5.698 703 HD11 LEU 82 HD11 LEU 82 10.759 10.471 -3.595 704 HD12 LEU 82 HD12 LEU 82 9.407 10.310 -4.720 705 HD13 LEU 82 HD13 LEU 82 10.138 11.890 -4.437 706 HD21 LEU 82 HD21 LEU 82 10.453 12.042 -6.963 707 HD22 LEU 82 HD22 LEU 82 9.780 10.423 -7.142 708 HD23 LEU 82 HD23 LEU 82 11.381 10.788 -7.785 709 H GLN 83 H GLN 83 15.147 9.715 -5.375 710 HA GLN 83 HA GLN 83 14.299 7.080 -5.122 711 HB2 GLN 83 HB3 GLN 83 16.074 7.822 -6.662 712 HB3 GLN 83 HB2 GLN 83 17.143 8.097 -5.293 713 HG2 GLN 83 HG3 GLN 83 17.015 5.696 -4.753 714 HG3 GLN 83 HG2 GLN 83 16.023 5.452 -6.190 715 HE21 GLN 83 HE22 GLN 83 18.632 4.337 -5.514 716 HE22 GLN 83 HE21 GLN 83 19.694 4.794 -6.805 717 H GLN 84 H GLN 84 16.348 9.005 -2.974 718 HA GLN 84 HA GLN 84 17.126 6.965 -1.223 719 HB2 GLN 84 HB3 GLN 84 16.744 9.921 -0.775 720 HB3 GLN 84 HB2 GLN 84 17.392 8.845 0.454 721 HG2 GLN 84 HG3 GLN 84 19.236 8.256 -1.034 722 HG3 GLN 84 HG2 GLN 84 18.583 9.337 -2.264 723 HE21 GLN 84 HE22 GLN 84 21.156 9.364 -0.862 724 HE22 GLN 84 HE21 GLN 84 21.276 10.921 -0.116 725 H ARG 85 H ARG 85 14.209 8.981 -1.237 726 HA ARG 85 HA ARG 85 13.253 7.923 1.247 727 HB2 ARG 85 HB3 ARG 85 12.548 10.129 0.061 728 HB3 ARG 85 HB2 ARG 85 11.448 9.098 -0.846 729 HG2 ARG 85 HG3 ARG 85 10.972 8.310 1.724 730 HG3 ARG 85 HG2 ARG 85 11.304 10.030 1.920 731 HD2 ARG 85 HD3 ARG 85 9.048 10.076 1.536 732 HD3 ARG 85 HD2 ARG 85 9.658 10.257 -0.109 733 HE ARG 85 HE ARG 85 8.854 7.628 0.965 734 HH11 ARG 85 HH11 ARG 85 8.673 10.102 -1.501 735 HH12 ARG 85 HH12 ARG 85 7.653 9.165 -2.557 736 HH21 ARG 85 HH22 ARG 85 7.496 6.398 -0.392 737 HH22 ARG 85 HH21 ARG 85 7.020 7.042 -1.949 738 H ARG 86 H ARG 86 12.830 7.174 -2.154 739 HA ARG 86 HA ARG 86 10.718 5.309 -1.822 740 HB2 ARG 86 HB3 ARG 86 11.528 6.533 -3.953 741 HB3 ARG 86 HB2 ARG 86 12.699 5.230 -4.078 742 HG2 ARG 86 HG3 ARG 86 10.924 3.597 -4.206 743 HG3 ARG 86 HG2 ARG 86 9.714 4.864 -3.979 744 HD2 ARG 86 HD3 ARG 86 10.590 5.947 -6.058 745 HD3 ARG 86 HD2 ARG 86 11.594 4.521 -6.307 746 HE ARG 86 HE ARG 86 8.739 4.055 -6.000 747 HH11 ARG 86 HH11 ARG 86 11.454 4.462 -8.183 748 HH12 ARG 86 HH12 ARG 86 10.649 3.699 -9.527 749 HH21 ARG 86 HH22 ARG 86 7.688 3.060 -7.768 750 HH22 ARG 86 HH21 ARG 86 8.504 2.918 -9.300 751 H ASP 87 H ASP 87 14.233 5.035 -1.851 752 HA ASP 87 HA ASP 87 14.390 2.215 -1.715 753 HB2 ASP 87 HB3 ASP 87 16.355 3.551 -2.241 754 HB3 ASP 87 HB2 ASP 87 16.273 4.344 -0.672 755 H GLN 88 H GLN 88 14.078 4.734 0.704 756 HA GLN 88 HA GLN 88 14.295 3.209 3.031 757 HB2 GLN 88 HB3 GLN 88 14.270 5.654 3.010 758 HB3 GLN 88 HB2 GLN 88 12.596 5.648 2.478 759 HG2 GLN 88 HG3 GLN 88 11.964 4.554 4.597 760 HG3 GLN 88 HG2 GLN 88 13.642 4.691 5.130 761 HE21 GLN 88 HE22 GLN 88 10.706 6.402 4.431 762 HE22 GLN 88 HE21 GLN 88 11.164 7.897 5.180 763 H GLU 89 H GLU 89 11.525 3.847 0.937 764 HA GLU 89 HA GLU 89 9.537 2.568 2.460 765 HB2 GLU 89 HB3 GLU 89 9.619 2.588 -0.556 766 HB3 GLU 89 HB2 GLU 89 8.207 2.605 0.490 767 HG2 GLU 89 HG3 GLU 89 10.186 4.856 0.285 768 HG3 GLU 89 HG2 GLU 89 8.689 4.760 -0.637 769 H LEU 90 H LEU 90 11.658 1.389 -0.120 770 HA LEU 90 HA LEU 90 10.715 -1.271 -0.162 771 HB2 LEU 90 HB3 LEU 90 13.449 -0.213 -0.893 772 HB3 LEU 90 HB2 LEU 90 12.810 -1.782 -1.344 773 HG LEU 90 HG LEU 90 11.699 0.878 -2.248 774 HD11 LEU 90 HD11 LEU 90 12.594 0.257 -4.436 775 HD12 LEU 90 HD12 LEU 90 13.314 -1.191 -3.733 776 HD13 LEU 90 HD13 LEU 90 13.876 0.404 -3.233 777 HD21 LEU 90 HD21 LEU 90 10.338 -0.472 -3.772 778 HD22 LEU 90 HD22 LEU 90 9.977 -0.839 -2.085 779 HD23 LEU 90 HD23 LEU 90 10.971 -1.944 -3.035 780 H LYS 91 H LYS 91 13.273 0.335 1.637 781 HA LYS 91 HA LYS 91 14.417 -1.845 2.938 782 HB2 LYS 91 HB3 LYS 91 15.442 0.309 3.115 783 HB3 LYS 91 HB2 LYS 91 13.993 1.014 3.817 784 HG2 LYS 91 HG3 LYS 91 14.322 -0.426 5.810 785 HG3 LYS 91 HG2 LYS 91 15.845 -0.978 5.107 786 HD2 LYS 91 HD3 LYS 91 16.739 1.253 5.160 787 HD3 LYS 91 HD2 LYS 91 15.186 1.907 5.684 788 HE2 LYS 91 HE3 LYS 91 16.891 -0.029 7.247 789 HE3 LYS 91 HE2 LYS 91 16.784 1.705 7.540 790 HZ1 LYS 91 HZ1 LYS 91 15.360 0.570 9.067 791 HZ2 LYS 91 HZ2 LYS 91 14.589 -0.282 7.820 792 HZ3 LYS 91 HZ3 LYS 91 14.380 1.394 7.957 793 H GLU 92 H GLU 92 11.630 0.138 3.860 794 HA GLU 92 HA GLU 92 11.144 -1.256 6.290 795 HB2 GLU 92 HB3 GLU 92 10.387 1.116 5.573 796 HB3 GLU 92 HB2 GLU 92 9.053 0.288 4.782 797 HG2 GLU 92 HG3 GLU 92 8.418 1.083 6.986 798 HG3 GLU 92 HG2 GLU 92 8.372 -0.678 6.905 799 H PHE 93 H PHE 93 9.951 -1.532 2.995 800 HA PHE 93 HA PHE 93 7.915 -3.423 3.493 801 HB2 PHE 93 HB3 PHE 93 7.917 -2.228 1.412 802 HB3 PHE 93 HB2 PHE 93 9.524 -2.819 1.007 803 HD1 PHE 93 HD1 PHE 93 6.186 -4.238 1.917 804 HD2 PHE 93 HD2 PHE 93 9.631 -4.470 -0.571 805 HE1 PHE 93 HE1 PHE 93 5.187 -6.140 0.716 806 HE2 PHE 93 HE2 PHE 93 8.637 -6.370 -1.779 807 HZ PHE 93 HZ PHE 93 6.414 -7.208 -1.134 808 H LYS 94 H LYS 94 11.319 -3.818 2.565 809 HA LYS 94 HA LYS 94 11.152 -6.653 2.350 810 HB2 LYS 94 HB3 LYS 94 12.884 -4.954 1.356 811 HB3 LYS 94 HB2 LYS 94 13.728 -5.206 2.876 812 HG2 LYS 94 HG3 LYS 94 12.899 -7.546 1.213 813 HG3 LYS 94 HG2 LYS 94 14.347 -6.629 0.804 814 HD2 LYS 94 HD3 LYS 94 15.285 -7.073 2.987 815 HD3 LYS 94 HD2 LYS 94 13.806 -7.899 3.484 816 HE2 LYS 94 HE3 LYS 94 15.514 -8.774 1.164 817 HE3 LYS 94 HE2 LYS 94 15.697 -9.403 2.799 818 HZ1 LYS 94 HZ1 LYS 94 13.173 -9.560 1.235 819 HZ2 LYS 94 HZ2 LYS 94 13.500 -10.297 2.725 820 HZ3 LYS 94 HZ3 LYS 94 14.313 -10.806 1.327 821 H ALA 95 H ALA 95 11.538 -4.474 4.982 822 HA ALA 95 HA ALA 95 12.416 -6.602 6.780 823 HB1 ALA 95 HB1 ALA 95 11.861 -3.691 7.346 824 HB2 ALA 95 HB2 ALA 95 13.447 -4.400 7.039 825 HB3 ALA 95 HB3 ALA 95 12.542 -4.856 8.482 826 H GLY 96 H GLY 96 9.614 -5.870 5.402 827 HA2 GLY 96 HA3 GLY 96 7.583 -6.928 6.094 828 HA3 GLY 96 HA2 GLY 96 8.061 -6.672 7.767 829 H PHE 97 H PHE 97 6.687 -5.229 4.918 830 HA PHE 97 HA PHE 97 6.388 -2.612 6.085 831 HB2 PHE 97 HB3 PHE 97 6.603 -3.239 3.583 832 HB3 PHE 97 HB2 PHE 97 4.891 -3.634 3.680 833 HD1 PHE 97 HD1 PHE 97 7.269 -0.870 4.417 834 HD2 PHE 97 HD2 PHE 97 3.331 -1.988 3.258 835 HE1 PHE 97 HE1 PHE 97 6.724 1.493 4.013 836 HE2 PHE 97 HE2 PHE 97 2.777 0.376 2.854 837 HZ PHE 97 HZ PHE 97 4.475 2.118 3.230 838 H LEU 98 H LEU 98 4.506 -1.703 6.915 839 HA LEU 98 HA LEU 98 2.774 -3.564 8.217 840 HB2 LEU 98 HB3 LEU 98 3.567 -1.428 9.236 841 HB3 LEU 98 HB2 LEU 98 2.537 -0.559 8.114 842 HG LEU 98 HG LEU 98 0.570 -1.761 9.098 843 HD11 LEU 98 HD11 LEU 98 2.593 -2.624 11.160 844 HD12 LEU 98 HD12 LEU 98 1.757 -3.678 10.018 845 HD13 LEU 98 HD13 LEU 98 0.845 -2.835 11.270 846 HD21 LEU 98 HD21 LEU 98 0.498 -0.403 11.134 847 HD22 LEU 98 HD22 LEU 98 1.113 0.514 9.758 848 HD23 LEU 98 HD23 LEU 98 2.228 -0.092 10.982 849 H CYS 99 H CYS 99 1.553 -4.627 6.734 850 HA CYS 99 HA CYS 99 -0.522 -3.028 5.394 851 HB2 CYS 99 HB3 CYS 99 0.851 -5.484 4.275 852 HB3 CYS 99 HB2 CYS 99 -0.487 -4.625 3.518 853 HG CYS 99 HG CYS 99 2.676 -3.425 4.006 854 HA PRO 100 HA PRO 100 -3.415 -5.832 7.301 855 HB2 PRO 100 HB2 PRO 100 -4.977 -5.932 4.807 856 HB3 PRO 100 HB3 PRO 100 -5.424 -5.267 6.379 857 HG2 PRO 100 HG3 PRO 100 -4.931 -3.694 4.255 858 HG3 PRO 100 HG2 PRO 100 -4.527 -3.200 5.910 859 HD2 PRO 100 HD3 PRO 100 -2.738 -4.282 3.764 860 HD3 PRO 100 HD2 PRO 100 -2.444 -2.962 4.915 861 H ASP 101 H ASP 101 -3.784 -8.032 7.440 862 HA ASP 101 HA ASP 101 -2.277 -9.893 6.055 863 HB2 ASP 101 HB3 ASP 101 -5.015 -10.364 7.263 864 HB3 ASP 101 HB2 ASP 101 -3.824 -11.604 6.899 865 H LEU 102 H LEU 102 -5.426 -8.588 5.362 866 HA LEU 102 HA LEU 102 -6.702 -8.466 3.516 867 HB2 LEU 102 HB3 LEU 102 -4.273 -9.646 2.213 868 HB3 LEU 102 HB2 LEU 102 -5.748 -9.332 1.320 869 HG LEU 102 HG LEU 102 -3.943 -7.326 2.652 870 HD11 LEU 102 HD11 LEU 102 -3.218 -8.061 0.478 871 HD12 LEU 102 HD12 LEU 102 -3.861 -6.423 0.347 872 HD13 LEU 102 HD13 LEU 102 -4.831 -7.800 -0.187 873 HD21 LEU 102 HD21 LEU 102 -6.653 -6.865 1.401 874 HD22 LEU 102 HD22 LEU 102 -5.534 -5.607 1.927 875 HD23 LEU 102 HD23 LEU 102 -6.258 -6.696 3.112 876 H SER 103 H SER 103 -5.382 -11.522 4.444 877 HA SER 103 HA SER 103 -7.227 -13.042 2.819 878 HB2 SER 103 HB3 SER 103 -5.276 -13.977 4.937 879 HB3 SER 103 HB2 SER 103 -6.107 -14.995 3.759 880 HG SER 103 HG SER 103 -4.916 -13.107 2.379 881 H ASP 104 H ASP 104 -7.996 -11.197 5.136 882 HA ASP 104 HA ASP 104 -9.710 -13.147 6.486 883 HB2 ASP 104 HB3 ASP 104 -7.980 -12.399 8.055 884 HB3 ASP 104 HB2 ASP 104 -8.431 -10.722 7.758 885 H ALA 105 H ALA 105 -11.836 -12.595 6.695 886 HA ALA 105 HA ALA 105 -12.756 -10.597 4.844 887 HB1 ALA 105 HB1 ALA 105 -14.346 -12.370 6.703 888 HB2 ALA 105 HB2 ALA 105 -13.861 -12.781 5.057 889 HB3 ALA 105 HB3 ALA 105 -14.980 -11.448 5.340 890 H LYS 106 H LYS 106 -12.485 -10.836 8.332 891 HA LYS 106 HA LYS 106 -14.165 -8.535 8.782 892 HB2 LYS 106 HB3 LYS 106 -12.394 -10.169 10.594 893 HB3 LYS 106 HB2 LYS 106 -13.230 -8.720 11.144 894 HG2 LYS 106 HG3 LYS 106 -14.558 -11.159 9.977 895 HG3 LYS 106 HG2 LYS 106 -14.466 -10.759 11.696 896 HD2 LYS 106 HD3 LYS 106 -15.798 -8.813 11.401 897 HD3 LYS 106 HD2 LYS 106 -15.688 -8.923 9.645 898 HE2 LYS 106 HE3 LYS 106 -17.872 -9.654 10.465 899 HE3 LYS 106 HE2 LYS 106 -17.003 -10.965 9.671 900 HZ1 LYS 106 HZ1 LYS 106 -18.147 -11.542 11.803 901 HZ2 LYS 106 HZ2 LYS 106 -17.002 -10.588 12.613 902 HZ3 LYS 106 HZ3 LYS 106 -16.508 -11.953 11.734 903 H ASN 107 H ASN 107 -10.741 -9.253 8.546 904 HA ASN 107 HA ASN 107 -9.710 -6.708 9.054 905 HB2 ASN 107 HB3 ASN 107 -8.428 -8.868 8.564 906 HB3 ASN 107 HB2 ASN 107 -8.720 -8.539 6.861 907 HD21 ASN 107 HD22 ASN 107 -6.220 -8.695 8.374 908 HD22 ASN 107 HD21 ASN 107 -5.430 -7.171 8.159 909 H MET 108 H MET 108 -10.798 -8.127 5.955 910 HA MET 108 HA MET 108 -10.651 -5.757 4.459 911 HB2 MET 108 HB3 MET 108 -10.879 -7.942 3.410 912 HB3 MET 108 HB2 MET 108 -12.477 -8.144 4.116 913 HG2 MET 108 HG3 MET 108 -12.549 -7.525 1.741 914 HG3 MET 108 HG2 MET 108 -13.353 -6.349 2.779 915 HE1 MET 108 HE1 MET 108 -10.144 -7.121 0.623 916 HE2 MET 108 HE2 MET 108 -9.497 -6.854 2.242 917 HE3 MET 108 HE3 MET 108 -9.158 -5.693 0.952 918 H GLU 109 H GLU 109 -13.124 -6.923 6.673 919 HA GLU 109 HA GLU 109 -15.175 -5.139 5.905 920 HB2 GLU 109 HB3 GLU 109 -15.584 -7.090 7.348 921 HB3 GLU 109 HB2 GLU 109 -14.652 -6.329 8.632 922 HG2 GLU 109 HG3 GLU 109 -16.272 -4.467 8.652 923 HG3 GLU 109 HG2 GLU 109 -17.231 -5.331 7.452 924 H PHE 110 H PHE 110 -12.804 -4.930 8.560 925 HA PHE 110 HA PHE 110 -13.400 -2.327 9.388 926 HB2 PHE 110 HB3 PHE 110 -10.941 -4.036 9.533 927 HB3 PHE 110 HB2 PHE 110 -10.851 -2.349 10.015 928 HD1 PHE 110 HD1 PHE 110 -12.513 -5.570 10.743 929 HD2 PHE 110 HD2 PHE 110 -11.627 -1.631 12.088 930 HE1 PHE 110 HE1 PHE 110 -13.326 -6.161 12.989 931 HE2 PHE 110 HE2 PHE 110 -12.445 -2.212 14.338 932 HZ PHE 110 HZ PHE 110 -13.294 -4.481 14.791 933 H LEU 111 H LEU 111 -11.262 -3.514 6.868 934 HA LEU 111 HA LEU 111 -10.081 -1.043 6.182 935 HB2 LEU 111 HB3 LEU 111 -9.216 -3.324 5.645 936 HB3 LEU 111 HB2 LEU 111 -10.497 -3.493 4.465 937 HG LEU 111 HG LEU 111 -8.618 -1.190 4.197 938 HD11 LEU 111 HD11 LEU 111 -7.072 -2.601 2.930 939 HD12 LEU 111 HD12 LEU 111 -8.005 -4.027 3.384 940 HD13 LEU 111 HD13 LEU 111 -7.159 -3.096 4.619 941 HD21 LEU 111 HD21 LEU 111 -9.018 -1.588 1.830 942 HD22 LEU 111 HD22 LEU 111 -10.541 -1.407 2.699 943 HD23 LEU 111 HD23 LEU 111 -9.983 -3.011 2.223 944 H ARG 112 H ARG 112 -12.964 -2.723 5.049 945 HA ARG 112 HA ARG 112 -13.549 -0.896 2.942 946 HB2 ARG 112 HB3 ARG 112 -14.468 -3.044 2.703 947 HB3 ARG 112 HB2 ARG 112 -15.095 -3.059 4.344 948 HG2 ARG 112 HG3 ARG 112 -16.770 -1.399 3.726 949 HG3 ARG 112 HG2 ARG 112 -16.131 -1.365 2.081 950 HD2 ARG 112 HD3 ARG 112 -18.180 -2.792 2.439 951 HD3 ARG 112 HD2 ARG 112 -16.809 -3.589 1.667 952 HE ARG 112 HE ARG 112 -16.462 -4.844 3.613 953 HH11 ARG 112 HH11 ARG 112 -19.116 -2.596 4.033 954 HH12 ARG 112 HH12 ARG 112 -19.833 -3.502 5.342 955 HH21 ARG 112 HH22 ARG 112 -17.413 -6.028 5.336 956 HH22 ARG 112 HH21 ARG 112 -18.871 -5.445 6.073 957 H ASN 113 H ASN 113 -14.606 -1.189 6.306 958 HA ASN 113 HA ASN 113 -16.467 1.024 6.012 959 HB2 ASN 113 HB3 ASN 113 -16.974 -0.999 7.415 960 HB3 ASN 113 HB2 ASN 113 -15.712 -0.483 8.527 961 HD21 ASN 113 HD22 ASN 113 -17.185 -0.287 10.216 962 HD22 ASN 113 HD21 ASN 113 -18.321 1.015 10.301 963 H TRP 114 H TRP 114 -13.309 0.987 6.097 964 HA TRP 114 HA TRP 114 -12.582 2.681 8.245 965 HB2 TRP 114 HB3 TRP 114 -10.994 1.224 7.052 966 HB3 TRP 114 HB2 TRP 114 -11.206 2.185 5.597 967 HD1 TRP 114 HD1 TRP 114 -9.760 2.521 9.167 968 HE1 TRP 114 HE1 TRP 114 -7.903 4.309 9.099 969 HE3 TRP 114 HE3 TRP 114 -10.302 4.073 4.330 970 HZ2 TRP 114 HZ2 TRP 114 -6.815 6.121 7.238 971 HZ3 TRP 114 HZ3 TRP 114 -8.815 5.836 3.482 972 HH2 TRP 114 HH2 TRP 114 -7.108 6.839 4.906 973 H ASN 115 H ASN 115 -12.327 4.883 8.343 974 HA ASN 115 HA ASN 115 -13.197 6.453 6.012 975 HB2 ASN 115 HB3 ASN 115 -14.424 7.974 7.435 976 HB3 ASN 115 HB2 ASN 115 -14.997 6.342 7.750 977 HD21 ASN 115 HD22 ASN 115 -15.149 8.721 9.411 978 HD22 ASN 115 HD21 ASN 115 -14.359 8.323 10.900 979 H GLY 116 H GLY 116 -12.717 8.985 6.970 980 HA2 GLY 116 HA3 GLY 116 -9.864 9.091 6.831 981 HA3 GLY 116 HA2 GLY 116 -10.947 10.459 7.019 982 H THR 117 H THR 117 -9.902 7.642 8.929 983 HA THR 117 HA THR 117 -9.314 9.475 11.154 984 HB THR 117 HB THR 117 -10.533 6.731 11.516 985 HG1 THR 117 HG1 THR 117 -12.267 7.792 10.846 986 HG21 THR 117 HG21 THR 117 -10.905 7.504 13.818 987 HG22 THR 117 HG22 THR 117 -10.107 9.028 13.433 988 HG23 THR 117 HG23 THR 117 -9.192 7.520 13.402 989 H PHE 118 H PHE 118 -7.149 9.420 11.205 990 HA PHE 118 HA PHE 118 -5.616 7.172 10.402 991 HB2 PHE 118 HB3 PHE 118 -3.702 8.536 11.463 992 HB3 PHE 118 HB2 PHE 118 -4.536 9.212 10.070 993 HD1 PHE 118 HD1 PHE 118 -3.967 9.505 13.673 994 HD2 PHE 118 HD2 PHE 118 -5.943 11.157 10.285 995 HE1 PHE 118 HE1 PHE 118 -4.421 11.562 14.942 996 HE2 PHE 118 HE2 PHE 118 -6.402 13.215 11.551 997 HZ PHE 118 HZ PHE 118 -5.639 13.418 13.882 998 H GLY 119 H GLY 119 -7.136 7.984 13.346 999 HA2 GLY 119 HA3 GLY 119 -5.419 6.509 15.095 1000 HA3 GLY 119 HA2 GLY 119 -7.059 7.037 15.447 1001 H LEU 120 H LEU 120 -7.583 5.534 12.701 1002 HA LEU 120 HA LEU 120 -8.428 3.102 14.007 1003 HB2 LEU 120 HB3 LEU 120 -8.793 4.125 11.198 1004 HB3 LEU 120 HB2 LEU 120 -9.380 2.563 11.735 1005 HG LEU 120 HG LEU 120 -10.254 5.256 12.782 1006 HD11 LEU 120 HD11 LEU 120 -11.703 3.150 11.180 1007 HD12 LEU 120 HD12 LEU 120 -11.140 4.709 10.576 1008 HD13 LEU 120 HD13 LEU 120 -12.408 4.644 11.802 1009 HD21 LEU 120 HD21 LEU 120 -10.192 3.584 14.564 1010 HD22 LEU 120 HD22 LEU 120 -11.150 2.487 13.570 1011 HD23 LEU 120 HD23 LEU 120 -11.851 4.003 14.136 1012 H LEU 121 H LEU 121 -5.554 4.013 12.686 1013 HA LEU 121 HA LEU 121 -4.966 1.578 11.266 1014 HB2 LEU 121 HB3 LEU 121 -3.139 3.763 12.261 1015 HB3 LEU 121 HB2 LEU 121 -2.632 2.418 11.256 1016 HG LEU 121 HG LEU 121 -4.524 4.640 10.493 1017 HD11 LEU 121 HD11 LEU 121 -2.829 5.092 8.784 1018 HD12 LEU 121 HD12 LEU 121 -1.813 3.824 9.472 1019 HD13 LEU 121 HD13 LEU 121 -2.194 5.262 10.422 1020 HD21 LEU 121 HD21 LEU 121 -5.319 2.525 9.571 1021 HD22 LEU 121 HD22 LEU 121 -3.718 2.210 8.900 1022 HD23 LEU 121 HD23 LEU 121 -4.670 3.570 8.307 1023 H ASN 122 H ASN 122 -5.130 2.487 14.499 1024 HA ASN 122 HA ASN 122 -3.363 0.342 15.385 1025 HB2 ASN 122 HB3 ASN 122 -3.217 2.412 16.638 1026 HB3 ASN 122 HB2 ASN 122 -4.952 2.405 16.929 1027 HD21 ASN 122 HD22 ASN 122 -5.781 1.188 18.556 1028 HD22 ASN 122 HD21 ASN 122 -4.810 0.302 19.684 1029 H THR 123 H THR 123 -6.716 1.054 14.883 1030 HA THR 123 HA THR 123 -7.665 -1.220 16.391 1031 HB THR 123 HB THR 123 -9.878 -0.675 15.399 1032 HG1 THR 123 HG1 THR 123 -9.685 0.328 13.526 1033 HG21 THR 123 HG21 THR 123 -10.181 1.481 16.513 1034 HG22 THR 123 HG22 THR 123 -8.432 1.710 16.560 1035 HG23 THR 123 HG23 THR 123 -9.177 0.405 17.485 1036 H LEU 124 H LEU 124 -6.860 -0.396 13.103 1037 HA LEU 124 HA LEU 124 -8.005 -2.597 11.790 1038 HB2 LEU 124 HB3 LEU 124 -5.809 -0.681 11.145 1039 HB3 LEU 124 HB2 LEU 124 -6.049 -2.085 10.123 1040 HG LEU 124 HG LEU 124 -8.229 -0.087 10.721 1041 HD11 LEU 124 HD11 LEU 124 -6.415 -0.252 8.319 1042 HD12 LEU 124 HD12 LEU 124 -6.380 1.009 9.549 1043 HD13 LEU 124 HD13 LEU 124 -7.794 0.829 8.510 1044 HD21 LEU 124 HD21 LEU 124 -9.341 -1.120 8.847 1045 HD22 LEU 124 HD22 LEU 124 -8.913 -2.359 10.028 1046 HD23 LEU 124 HD23 LEU 124 -7.952 -2.171 8.561 1047 H ARG 125 H ARG 125 -7.344 -4.599 11.382 1048 HA ARG 125 HA ARG 125 -5.144 -5.724 12.826 1049 HB2 ARG 125 HB3 ARG 125 -6.985 -7.160 12.593 1050 HB3 ARG 125 HB2 ARG 125 -7.192 -6.777 10.894 1051 HG2 ARG 125 HG3 ARG 125 -6.382 -9.027 11.165 1052 HG3 ARG 125 HG2 ARG 125 -5.168 -8.032 10.365 1053 HD2 ARG 125 HD3 ARG 125 -4.081 -7.750 12.623 1054 HD3 ARG 125 HD2 ARG 125 -5.189 -8.993 13.218 1055 HE ARG 125 HE ARG 125 -3.653 -9.669 10.846 1056 HH11 ARG 125 HH11 ARG 125 -3.825 -9.865 14.353 1057 HH12 ARG 125 HH12 ARG 125 -2.811 -11.275 14.444 1058 HH21 ARG 125 HH22 ARG 125 -2.355 -11.495 10.957 1059 HH22 ARG 125 HH21 ARG 125 -1.962 -12.209 12.500 1060 H LEU 126 H LEU 126 -3.275 -4.822 12.143 1061 HA LEU 126 HA LEU 126 -2.563 -5.158 9.306 1062 HB2 LEU 126 HB3 LEU 126 -1.555 -3.063 11.238 1063 HB3 LEU 126 HB2 LEU 126 -1.093 -3.215 9.554 1064 HG LEU 126 HG LEU 126 -3.869 -2.544 10.541 1065 HD11 LEU 126 HD11 LEU 126 -1.780 -0.794 9.255 1066 HD12 LEU 126 HD12 LEU 126 -2.269 -0.743 10.948 1067 HD13 LEU 126 HD13 LEU 126 -3.422 -0.313 9.684 1068 HD21 LEU 126 HD21 LEU 126 -4.347 -2.061 8.197 1069 HD22 LEU 126 HD22 LEU 126 -3.886 -3.750 8.419 1070 HD23 LEU 126 HD23 LEU 126 -2.728 -2.600 7.749 1071 H ILE 127 H ILE 127 -0.674 -6.153 8.837 1072 HA ILE 127 HA ILE 127 1.006 -7.002 11.108 1073 HB ILE 127 HB ILE 127 1.501 -9.080 9.856 1074 HG12 ILE 127 HG13 ILE 127 -0.795 -8.268 8.059 1075 HG13 ILE 127 HG12 ILE 127 0.901 -8.149 7.605 1076 HG21 ILE 127 HG21 ILE 127 -0.150 -9.138 11.611 1077 HG22 ILE 127 HG22 ILE 127 -0.654 -10.196 10.293 1078 HG23 ILE 127 HG23 ILE 127 -1.407 -8.614 10.492 1079 HD11 ILE 127 HD11 ILE 127 1.131 -10.563 7.823 1080 HD12 ILE 127 HD12 ILE 127 -0.136 -10.135 6.672 1081 HD13 ILE 127 HD13 ILE 127 -0.565 -10.684 8.294 1082 H ARG 128 H ARG 128 3.092 -8.083 9.896 1083 HA ARG 128 HA ARG 128 4.119 -5.942 8.168 1084 HB2 ARG 128 HB3 ARG 128 5.685 -8.025 9.708 1085 HB3 ARG 128 HB2 ARG 128 6.355 -6.670 8.807 1086 HG2 ARG 128 HG3 ARG 128 5.032 -5.174 10.383 1087 HG3 ARG 128 HG2 ARG 128 4.796 -6.618 11.369 1088 HD2 ARG 128 HD3 ARG 128 6.691 -5.451 12.232 1089 HD3 ARG 128 HD2 ARG 128 7.278 -6.898 11.414 1090 HE ARG 128 HE ARG 128 7.401 -4.989 9.487 1091 HH11 ARG 128 HH11 ARG 128 8.665 -5.209 12.752 1092 HH12 ARG 128 HH12 ARG 128 10.023 -4.180 12.416 1093 HH21 ARG 128 HH22 ARG 128 9.191 -3.660 9.050 1094 HH22 ARG 128 HH21 ARG 128 10.336 -3.303 10.309 1095 H ILE 129 H ILE 129 4.238 -6.371 6.091 1096 HA ILE 129 HA ILE 129 4.287 -9.185 5.231 1097 HB ILE 129 HB ILE 129 3.139 -6.736 3.908 1098 HG12 ILE 129 HG13 ILE 129 1.952 -9.345 4.865 1099 HG13 ILE 129 HG12 ILE 129 1.705 -7.753 5.574 1100 HG21 ILE 129 HG21 ILE 129 3.484 -9.487 2.736 1101 HG22 ILE 129 HG22 ILE 129 4.257 -8.001 2.182 1102 HG23 ILE 129 HG23 ILE 129 2.510 -8.198 2.028 1103 HD11 ILE 129 HD11 ILE 129 0.526 -7.038 3.568 1104 HD12 ILE 129 HD12 ILE 129 -0.222 -8.468 4.279 1105 HD13 ILE 129 HD13 ILE 129 0.791 -8.624 2.842 1106 H ASN 130 H ASN 130 5.875 -9.903 3.950 1107 HA ASN 130 HA ASN 130 7.874 -7.949 3.013 1108 HB2 ASN 130 HB3 ASN 130 8.721 -8.983 5.025 1109 HB3 ASN 130 HB2 ASN 130 8.329 -10.585 4.418 1110 HD21 ASN 130 HD22 ASN 130 10.386 -11.338 4.631 1111 HD22 ASN 130 HD21 ASN 130 11.681 -10.840 3.599 1112 H ASP 131 H ASP 131 8.822 -8.324 1.099 1113 HA ASP 131 HA ASP 131 9.336 -9.148 -0.921 1114 HB2 ASP 131 HB3 ASP 131 9.057 -11.642 0.677 1115 HB3 ASP 131 HB2 ASP 131 9.210 -11.785 -1.072 1116 H LYS 132 H LYS 132 6.793 -11.528 -0.125 1117 HA LYS 132 HA LYS 132 5.350 -10.606 -2.518 1118 HB2 LYS 132 HB3 LYS 132 5.068 -12.992 -3.205 1119 HB3 LYS 132 HB2 LYS 132 6.727 -12.415 -3.302 1120 HG2 LYS 132 HG3 LYS 132 7.292 -13.556 -1.256 1121 HG3 LYS 132 HG2 LYS 132 5.610 -14.035 -1.022 1122 HD2 LYS 132 HD3 LYS 132 5.696 -15.372 -3.057 1123 HD3 LYS 132 HD2 LYS 132 7.364 -14.868 -3.331 1124 HE2 LYS 132 HE3 LYS 132 8.057 -15.962 -1.281 1125 HE3 LYS 132 HE2 LYS 132 6.388 -16.407 -0.929 1126 HZ1 LYS 132 HZ1 LYS 132 6.350 -17.838 -2.816 1127 HZ2 LYS 132 HZ2 LYS 132 7.735 -18.217 -1.918 1128 HZ3 LYS 132 HZ3 LYS 132 7.868 -17.303 -3.344 1129 H GLY 133 H GLY 133 4.704 -10.230 0.245 1130 HA2 GLY 133 HA3 GLY 133 2.533 -10.115 1.163 1131 HA3 GLY 133 HA2 GLY 133 2.060 -11.468 0.150 1132 H GLU 134 H GLU 134 5.023 -11.785 1.820 1133 HA GLU 134 HA GLU 134 3.945 -13.999 3.314 1134 HB2 GLU 134 HB3 GLU 134 6.171 -14.104 2.208 1135 HB3 GLU 134 HB2 GLU 134 6.752 -12.870 3.318 1136 HG2 GLU 134 HG3 GLU 134 7.451 -15.085 4.021 1137 HG3 GLU 134 HG2 GLU 134 6.362 -14.359 5.202 1138 H GLN 135 H GLN 135 3.632 -14.122 5.468 1139 HA GLN 135 HA GLN 135 3.381 -11.628 6.897 1140 HB2 GLN 135 HB3 GLN 135 1.630 -13.271 7.152 1141 HB3 GLN 135 HB2 GLN 135 2.788 -14.490 7.668 1142 HG2 GLN 135 HG3 GLN 135 3.210 -13.287 9.712 1143 HG3 GLN 135 HG2 GLN 135 2.167 -11.966 9.184 1144 HE21 GLN 135 HE22 GLN 135 -0.035 -12.195 9.278 1145 HE22 GLN 135 HE21 GLN 135 -0.806 -13.506 10.104 1146 H VAL 136 H VAL 136 4.972 -10.750 8.013 1147 HA VAL 136 HA VAL 136 7.393 -12.252 8.500 1148 HB VAL 136 HB VAL 136 6.735 -9.376 9.164 1149 HG11 VAL 136 HG11 VAL 136 9.382 -10.824 9.112 1150 HG12 VAL 136 HG12 VAL 136 8.547 -10.221 10.544 1151 HG13 VAL 136 HG13 VAL 136 9.169 -9.087 9.345 1152 HG21 VAL 136 HG21 VAL 136 6.635 -9.794 6.776 1153 HG22 VAL 136 HG22 VAL 136 8.223 -10.559 6.825 1154 HG23 VAL 136 HG23 VAL 136 8.062 -8.838 7.176 1155 H VAL 137 H VAL 137 7.477 -13.534 10.206 1156 HA VAL 137 HA VAL 137 6.663 -12.399 12.800 1157 HB VAL 137 HB VAL 137 6.444 -14.631 13.694 1158 HG11 VAL 137 HG11 VAL 137 4.986 -14.414 11.062 1159 HG12 VAL 137 HG12 VAL 137 4.475 -13.721 12.600 1160 HG13 VAL 137 HG13 VAL 137 4.543 -15.472 12.403 1161 HG21 VAL 137 HG21 VAL 137 6.706 -16.634 12.302 1162 HG22 VAL 137 HG22 VAL 137 8.217 -15.734 12.457 1163 HG23 VAL 137 HG23 VAL 137 7.272 -15.628 10.969 1164 H GLY 138 H GLY 138 8.086 -13.248 14.629 1165 HA2 GLY 138 HA3 GLY 138 10.878 -13.090 13.710 1166 HA3 GLY 138 HA2 GLY 138 10.314 -12.710 15.332 1167 H GLY 139 H GLY 139 11.852 -14.081 16.253 1168 HA2 GLY 139 HA3 GLY 139 11.710 -16.932 15.682 1169 HA3 GLY 139 HA2 GLY 139 12.763 -16.152 16.857 1170 H ASN 140 H ASN 140 10.044 -14.728 17.542 1171 HA ASN 140 HA ASN 140 9.380 -16.528 19.712 1172 HB2 ASN 140 HB3 ASN 140 9.604 -13.989 19.895 1173 HB3 ASN 140 HB2 ASN 140 8.070 -13.888 19.042 1174 HD21 ASN 140 HD22 ASN 140 8.911 -13.093 21.759 1175 HD22 ASN 140 HD21 ASN 140 7.791 -13.860 22.838 1176 H GLU 141 H GLU 141 8.080 -15.431 16.681 1177 HA GLU 141 HA GLU 141 6.311 -16.029 15.408 1178 HB2 GLU 141 HB3 GLU 141 6.185 -18.447 17.222 1179 HB3 GLU 141 HB2 GLU 141 5.367 -18.278 15.676 1180 HG2 GLU 141 HG3 GLU 141 7.540 -18.115 14.556 1181 HG3 GLU 141 HG2 GLU 141 8.340 -18.335 16.113 Start of MODEL 3 1 H MET 1 H MET 1 1.581 -8.272 42.178 2 HA MET 1 HA MET 1 2.111 -6.463 40.708 3 HB2 MET 1 HB3 MET 1 4.461 -7.557 42.260 4 HB3 MET 1 HB2 MET 1 4.408 -5.935 41.587 5 HG2 MET 1 HG3 MET 1 2.473 -5.416 42.972 6 HG3 MET 1 HG2 MET 1 2.510 -7.047 43.639 7 HE1 MET 1 HE1 MET 1 4.348 -3.585 43.412 8 HE2 MET 1 HE2 MET 1 5.563 -4.695 42.778 9 HE3 MET 1 HE3 MET 1 5.822 -3.898 44.330 10 H ARG 2 H ARG 2 2.735 -9.231 39.308 11 HA ARG 2 HA ARG 2 4.727 -8.072 37.472 12 HB2 ARG 2 HB3 ARG 2 5.212 -10.499 36.837 13 HB3 ARG 2 HB2 ARG 2 5.810 -9.941 38.388 14 HG2 ARG 2 HG3 ARG 2 4.967 -12.099 38.755 15 HG3 ARG 2 HG2 ARG 2 3.763 -10.999 39.422 16 HD2 ARG 2 HD3 ARG 2 2.374 -11.280 37.458 17 HD3 ARG 2 HD2 ARG 2 3.606 -12.288 36.699 18 HE ARG 2 HE ARG 2 3.109 -13.607 38.994 19 HH11 ARG 2 HH11 ARG 2 0.994 -12.360 36.494 20 HH12 ARG 2 HH12 ARG 2 -0.219 -13.581 36.737 21 HH21 ARG 2 HH22 ARG 2 1.511 -15.219 39.298 22 HH22 ARG 2 HH21 ARG 2 0.074 -15.189 38.321 23 H GLU 3 H GLU 3 1.608 -8.400 37.784 24 HA GLU 3 HA GLU 3 0.968 -9.472 35.156 25 HB2 GLU 3 HB3 GLU 3 -0.939 -8.141 37.084 26 HB3 GLU 3 HB2 GLU 3 -1.329 -9.242 35.772 27 HG2 GLU 3 HG3 GLU 3 -1.569 -10.623 37.569 28 HG3 GLU 3 HG2 GLU 3 0.119 -10.924 37.161 29 H ASP 4 H ASP 4 2.263 -6.734 36.175 30 HA ASP 4 HA ASP 4 0.585 -4.841 34.749 31 HB2 ASP 4 HB3 ASP 4 1.790 -4.390 36.987 32 HB3 ASP 4 HB2 ASP 4 3.251 -4.235 36.016 33 H LYS 5 H LYS 5 1.071 -3.949 32.802 34 HA LYS 5 HA LYS 5 3.353 -5.141 31.403 35 HB2 LYS 5 HB3 LYS 5 0.821 -3.887 30.337 36 HB3 LYS 5 HB2 LYS 5 2.132 -4.489 29.329 37 HG2 LYS 5 HG3 LYS 5 1.791 -6.729 30.138 38 HG3 LYS 5 HG2 LYS 5 0.578 -6.164 31.287 39 HD2 LYS 5 HD3 LYS 5 -0.872 -5.495 29.457 40 HD3 LYS 5 HD2 LYS 5 0.357 -5.975 28.283 41 HE2 LYS 5 HE3 LYS 5 0.192 -8.284 29.032 42 HE3 LYS 5 HE2 LYS 5 -0.984 -7.819 30.259 43 HZ1 LYS 5 HZ1 LYS 5 -2.557 -7.270 28.599 44 HZ2 LYS 5 HZ2 LYS 5 -1.942 -8.798 28.199 45 HZ3 LYS 5 HZ3 LYS 5 -1.418 -7.422 27.353 46 H ILE 6 H ILE 6 4.990 -3.803 31.970 47 HA ILE 6 HA ILE 6 4.779 -0.938 31.622 48 HB ILE 6 HB ILE 6 7.210 -2.630 32.256 49 HG12 ILE 6 HG13 ILE 6 5.400 -1.067 34.114 50 HG13 ILE 6 HG12 ILE 6 5.400 -2.819 33.945 51 HG21 ILE 6 HG21 ILE 6 7.794 -0.447 31.338 52 HG22 ILE 6 HG22 ILE 6 8.195 -0.531 33.054 53 HG23 ILE 6 HG23 ILE 6 6.756 0.343 32.525 54 HD11 ILE 6 HD11 ILE 6 6.612 -2.115 35.926 55 HD12 ILE 6 HD12 ILE 6 7.696 -1.143 34.931 56 HD13 ILE 6 HD13 ILE 6 7.691 -2.900 34.773 57 H ALA 7 H ALA 7 5.576 0.225 29.927 58 HA ALA 7 HA ALA 7 6.095 -1.249 27.499 59 HB1 ALA 7 HB1 ALA 7 5.954 0.911 26.389 60 HB2 ALA 7 HB2 ALA 7 5.928 1.727 27.953 61 HB3 ALA 7 HB3 ALA 7 4.588 0.680 27.482 62 H ALA 8 H ALA 8 7.811 -0.224 25.991 63 HA ALA 8 HA ALA 8 10.356 -0.503 27.317 64 HB1 ALA 8 HB1 ALA 8 9.733 0.028 24.412 65 HB2 ALA 8 HB2 ALA 8 9.957 -1.562 25.142 66 HB3 ALA 8 HB3 ALA 8 11.304 -0.425 25.071 67 H LYS 9 H LYS 9 12.144 1.044 26.677 68 HA LYS 9 HA LYS 9 11.299 3.693 27.498 69 HB2 LYS 9 HB3 LYS 9 14.039 2.478 27.098 70 HB3 LYS 9 HB2 LYS 9 13.744 4.094 27.731 71 HG2 LYS 9 HG3 LYS 9 12.665 3.217 29.669 72 HG3 LYS 9 HG2 LYS 9 12.687 1.583 29.004 73 HD2 LYS 9 HD3 LYS 9 15.124 1.566 29.102 74 HD3 LYS 9 HD2 LYS 9 15.119 3.215 29.734 75 HE2 LYS 9 HE3 LYS 9 14.004 2.509 31.734 76 HE3 LYS 9 HE2 LYS 9 13.763 0.888 31.085 77 HZ1 LYS 9 HZ1 LYS 9 16.390 2.124 31.722 78 HZ2 LYS 9 HZ2 LYS 9 16.152 0.563 31.100 79 HZ3 LYS 9 HZ3 LYS 9 15.591 0.950 32.652 80 H LYS 10 H LYS 10 10.519 3.010 24.861 81 HA LYS 10 HA LYS 10 11.934 5.110 23.392 82 HB2 LYS 10 HB3 LYS 10 11.405 2.317 22.390 83 HB3 LYS 10 HB2 LYS 10 11.636 3.668 21.291 84 HG2 LYS 10 HG3 LYS 10 13.864 4.052 22.319 85 HG3 LYS 10 HG2 LYS 10 13.623 2.586 23.276 86 HD2 LYS 10 HD3 LYS 10 13.467 1.250 21.271 87 HD3 LYS 10 HD2 LYS 10 13.547 2.694 20.262 88 HE2 LYS 10 HE3 LYS 10 15.809 3.143 21.153 89 HE3 LYS 10 HE2 LYS 10 15.721 1.636 22.063 90 HZ1 LYS 10 HZ1 LYS 10 16.931 1.405 19.955 91 HZ2 LYS 10 HZ2 LYS 10 15.531 1.844 19.103 92 HZ3 LYS 10 HZ3 LYS 10 15.559 0.411 20.010 93 H LYS 11 H LYS 11 10.663 6.318 22.045 94 HA LYS 11 HA LYS 11 7.867 5.465 21.707 95 HB2 LYS 11 HB3 LYS 11 8.939 8.245 22.195 96 HB3 LYS 11 HB2 LYS 11 7.330 7.944 21.557 97 HG2 LYS 11 HG3 LYS 11 6.867 6.577 23.603 98 HG3 LYS 11 HG2 LYS 11 8.413 7.134 24.244 99 HD2 LYS 11 HD3 LYS 11 7.666 9.430 24.165 100 HD3 LYS 11 HD2 LYS 11 6.158 8.947 23.384 101 HE2 LYS 11 HE3 LYS 11 5.566 7.640 25.382 102 HE3 LYS 11 HE2 LYS 11 7.053 8.180 26.161 103 HZ1 LYS 11 HZ1 LYS 11 6.268 10.453 26.035 104 HZ2 LYS 11 HZ2 LYS 11 5.132 9.491 26.853 105 HZ3 LYS 11 HZ3 LYS 11 4.852 9.958 25.244 106 H LEU 12 H LEU 12 6.875 6.721 19.754 107 HA LEU 12 HA LEU 12 8.657 6.085 17.538 108 HB2 LEU 12 HB3 LEU 12 5.718 6.769 17.581 109 HB3 LEU 12 HB2 LEU 12 6.620 6.294 16.153 110 HG LEU 12 HG LEU 12 6.131 4.560 18.580 111 HD11 LEU 12 HD11 LEU 12 4.116 4.912 17.261 112 HD12 LEU 12 HD12 LEU 12 4.707 3.261 17.073 113 HD13 LEU 12 HD13 LEU 12 4.979 4.446 15.796 114 HD21 LEU 12 HD21 LEU 12 8.275 4.074 17.521 115 HD22 LEU 12 HD22 LEU 12 7.480 3.933 15.953 116 HD23 LEU 12 HD23 LEU 12 7.120 2.774 17.232 117 H HIS 13 H HIS 13 7.452 8.806 19.183 118 HA HIS 13 HA HIS 13 7.803 11.044 18.948 119 HB2 HIS 13 HB3 HIS 13 9.534 10.253 16.594 120 HB3 HIS 13 HB2 HIS 13 9.396 11.888 17.224 121 HD1 HIS 13 HD1 HIS 13 10.651 12.438 19.397 122 HD2 HIS 13 HD2 HIS 13 11.078 8.488 18.152 123 HE1 HIS 13 HE1 HIS 13 12.524 11.484 20.781 124 HE2 HIS 13 HE2 HIS 13 12.842 9.131 19.938 125 H GLN 14 H GLN 14 5.925 9.249 17.237 126 HA GLN 14 HA GLN 14 4.244 9.474 15.743 127 HB2 GLN 14 HB3 GLN 14 4.578 12.400 16.423 128 HB3 GLN 14 HB2 GLN 14 3.227 11.738 15.511 129 HG2 GLN 14 HG3 GLN 14 2.663 10.322 17.458 130 HG3 GLN 14 HG2 GLN 14 3.955 11.111 18.362 131 HE21 GLN 14 HE22 GLN 14 1.081 11.034 18.871 132 HE22 GLN 14 HE21 GLN 14 0.565 12.680 18.930 133 H ASP 15 H ASP 15 6.453 8.945 14.483 134 HA ASP 15 HA ASP 15 6.986 10.893 12.388 135 HB2 ASP 15 HB3 ASP 15 8.712 9.346 11.666 136 HB3 ASP 15 HB2 ASP 15 8.820 9.546 13.412 137 H LYS 16 H LYS 16 4.680 8.680 12.980 138 HA LYS 16 HA LYS 16 4.449 7.252 10.547 139 HB2 LYS 16 HB3 LYS 16 3.483 6.676 12.829 140 HB3 LYS 16 HB2 LYS 16 2.245 7.876 12.511 141 HG2 LYS 16 HG3 LYS 16 1.356 6.615 10.716 142 HG3 LYS 16 HG2 LYS 16 2.746 5.522 10.712 143 HD2 LYS 16 HD3 LYS 16 2.132 4.769 12.973 144 HD3 LYS 16 HD2 LYS 16 0.723 5.827 12.932 145 HE2 LYS 16 HE3 LYS 16 -0.234 4.570 11.121 146 HE3 LYS 16 HE2 LYS 16 1.229 3.595 10.971 147 HZ1 LYS 16 HZ1 LYS 16 -0.453 3.669 13.420 148 HZ2 LYS 16 HZ2 LYS 16 0.826 2.611 13.088 149 HZ3 LYS 16 HZ3 LYS 16 -0.617 2.497 12.208 150 H ARG 17 H ARG 17 3.802 7.966 8.638 151 HA ARG 17 HA ARG 17 2.515 10.597 8.480 152 HB2 ARG 17 HB3 ARG 17 4.031 8.928 6.485 153 HB3 ARG 17 HB2 ARG 17 3.077 10.318 5.995 154 HG2 ARG 17 HG3 ARG 17 4.455 11.747 7.445 155 HG3 ARG 17 HG2 ARG 17 5.440 10.339 7.861 156 HD2 ARG 17 HD3 ARG 17 6.206 10.096 5.644 157 HD3 ARG 17 HD2 ARG 17 4.985 11.203 5.020 158 HE ARG 17 HE ARG 17 7.341 11.998 6.615 159 HH11 ARG 17 HH11 ARG 17 4.850 12.679 4.244 160 HH12 ARG 17 HH12 ARG 17 5.454 14.268 3.869 161 HH21 ARG 17 HH22 ARG 17 8.162 14.071 6.103 162 HH22 ARG 17 HH21 ARG 17 7.340 15.062 4.935 163 H VAL 18 H VAL 18 1.307 10.548 6.090 164 HA VAL 18 HA VAL 18 -0.884 8.642 6.428 165 HB VAL 18 HB VAL 18 -0.709 11.001 4.532 166 HG11 VAL 18 HG11 VAL 18 -3.087 9.392 5.463 167 HG12 VAL 18 HG12 VAL 18 -2.359 9.323 3.859 168 HG13 VAL 18 HG13 VAL 18 -3.144 10.804 4.408 169 HG21 VAL 18 HG21 VAL 18 -2.102 12.192 6.147 170 HG22 VAL 18 HG22 VAL 18 -0.548 11.736 6.847 171 HG23 VAL 18 HG23 VAL 18 -2.000 10.816 7.245 172 H HIS 19 H HIS 19 2.006 8.653 4.922 173 HA HIS 19 HA HIS 19 1.297 7.812 2.281 174 HB2 HIS 19 HB3 HIS 19 3.508 8.807 2.854 175 HB3 HIS 19 HB2 HIS 19 3.890 7.361 3.779 176 HD1 HIS 19 HD1 HIS 19 3.048 8.335 0.195 177 HD2 HIS 19 HD2 HIS 19 5.116 5.416 2.327 178 HE1 HIS 19 HE1 HIS 19 4.237 6.939 -1.533 179 HE2 HIS 19 HE2 HIS 19 5.636 5.300 -0.210 180 H GLU 20 H GLU 20 2.060 6.222 5.308 181 HA GLU 20 HA GLU 20 1.693 3.573 4.243 182 HB2 GLU 20 HB3 GLU 20 1.767 2.936 6.709 183 HB3 GLU 20 HB2 GLU 20 3.209 3.694 6.051 184 HG2 GLU 20 HG3 GLU 20 1.157 5.382 7.405 185 HG3 GLU 20 HG2 GLU 20 2.259 4.408 8.376 186 H LEU 21 H LEU 21 -0.287 6.011 5.749 187 HA LEU 21 HA LEU 21 -2.484 4.271 6.349 188 HB2 LEU 21 HB3 LEU 21 -2.491 7.267 5.976 189 HB3 LEU 21 HB2 LEU 21 -3.761 6.316 6.724 190 HG LEU 21 HG LEU 21 -0.970 6.710 7.809 191 HD11 LEU 21 HD11 LEU 21 -2.369 8.697 8.002 192 HD12 LEU 21 HD12 LEU 21 -2.091 7.961 9.580 193 HD13 LEU 21 HD13 LEU 21 -3.638 7.738 8.764 194 HD21 LEU 21 HD21 LEU 21 -3.319 5.213 8.966 195 HD22 LEU 21 HD22 LEU 21 -1.787 5.520 9.784 196 HD23 LEU 21 HD23 LEU 21 -1.832 4.493 8.351 197 H ALA 22 H ALA 22 -1.579 6.372 3.680 198 HA ALA 22 HA ALA 22 -3.887 6.123 2.112 199 HB1 ALA 22 HB1 ALA 22 -1.038 6.428 1.166 200 HB2 ALA 22 HB2 ALA 22 -2.111 7.743 1.645 201 HB3 ALA 22 HB3 ALA 22 -2.490 6.769 0.225 202 H ARG 23 H ARG 23 -1.420 3.828 2.824 203 HA ARG 23 HA ARG 23 -1.640 2.076 0.645 204 HB2 ARG 23 HB3 ARG 23 -0.275 2.082 3.035 205 HB3 ARG 23 HB2 ARG 23 -1.437 0.788 3.282 206 HG2 ARG 23 HG3 ARG 23 0.583 -0.159 2.445 207 HG3 ARG 23 HG2 ARG 23 -0.634 -0.249 1.167 208 HD2 ARG 23 HD3 ARG 23 0.325 1.564 -0.005 209 HD3 ARG 23 HD2 ARG 23 1.340 2.009 1.366 210 HE ARG 23 HE ARG 23 1.756 -0.557 -0.006 211 HH11 ARG 23 HH11 ARG 23 2.894 2.592 0.977 212 HH12 ARG 23 HH12 ARG 23 4.549 2.297 0.509 213 HH21 ARG 23 HH22 ARG 23 3.955 -0.953 -0.627 214 HH22 ARG 23 HH21 ARG 23 5.134 0.299 -0.389 215 H VAL 24 H VAL 24 -3.487 2.396 3.622 216 HA VAL 24 HA VAL 24 -5.285 0.246 3.126 217 HB VAL 24 HB VAL 24 -5.609 2.655 4.929 218 HG11 VAL 24 HG11 VAL 24 -7.746 1.583 4.454 219 HG12 VAL 24 HG12 VAL 24 -7.259 1.305 6.127 220 HG13 VAL 24 HG13 VAL 24 -7.079 0.021 4.930 221 HG21 VAL 24 HG21 VAL 24 -3.628 1.357 5.490 222 HG22 VAL 24 HG22 VAL 24 -4.593 -0.119 5.538 223 HG23 VAL 24 HG23 VAL 24 -4.874 1.157 6.723 224 H LYS 25 H LYS 25 -5.405 3.750 2.623 225 HA LYS 25 HA LYS 25 -8.069 3.912 1.762 226 HB2 LYS 25 HB3 LYS 25 -6.694 5.873 2.391 227 HB3 LYS 25 HB2 LYS 25 -5.758 5.669 0.915 228 HG2 LYS 25 HG3 LYS 25 -7.727 6.106 -0.429 229 HG3 LYS 25 HG2 LYS 25 -8.717 6.229 1.026 230 HD2 LYS 25 HD3 LYS 25 -7.312 8.135 1.758 231 HD3 LYS 25 HD2 LYS 25 -6.449 8.044 0.223 232 HE2 LYS 25 HE3 LYS 25 -9.417 8.501 0.502 233 HE3 LYS 25 HE2 LYS 25 -8.225 9.777 0.266 234 HZ1 LYS 25 HZ1 LYS 25 -7.585 8.534 -1.825 235 HZ2 LYS 25 HZ2 LYS 25 -9.088 9.317 -1.839 236 HZ3 LYS 25 HZ3 LYS 25 -9.016 7.641 -1.628 237 H PHE 26 H PHE 26 -5.071 3.357 -0.067 238 HA PHE 26 HA PHE 26 -6.209 3.312 -2.628 239 HB2 PHE 26 HB3 PHE 26 -3.807 3.326 -2.414 240 HB3 PHE 26 HB2 PHE 26 -3.827 1.810 -1.518 241 HD1 PHE 26 HD2 PHE 26 -4.665 3.267 -4.836 242 HD2 PHE 26 HD1 PHE 26 -3.589 -0.213 -2.634 243 HE1 PHE 26 HE2 PHE 26 -4.435 2.010 -6.939 244 HE2 PHE 26 HE1 PHE 26 -3.359 -1.476 -4.732 245 HZ PHE 26 HZ PHE 26 -3.793 -0.372 -6.892 246 H MET 27 H MET 27 -5.711 0.693 -0.285 247 HA MET 27 HA MET 27 -6.817 -1.374 -1.819 248 HB2 MET 27 HB3 MET 27 -6.707 -1.015 1.175 249 HB3 MET 27 HB2 MET 27 -7.177 -2.509 0.375 250 HG2 MET 27 HG3 MET 27 -5.003 -2.709 -0.633 251 HG3 MET 27 HG2 MET 27 -4.521 -1.144 0.017 252 HE1 MET 27 HE1 MET 27 -2.321 -3.639 2.079 253 HE2 MET 27 HE2 MET 27 -2.324 -2.238 1.006 254 HE3 MET 27 HE3 MET 27 -2.797 -3.823 0.390 255 H GLN 28 H GLN 28 -8.344 0.761 0.582 256 HA GLN 28 HA GLN 28 -10.942 -0.231 0.461 257 HB2 GLN 28 HB3 GLN 28 -9.985 1.587 1.993 258 HB3 GLN 28 HB2 GLN 28 -10.286 2.703 0.667 259 HG2 GLN 28 HG3 GLN 28 -12.680 2.013 0.731 260 HG3 GLN 28 HG2 GLN 28 -12.312 1.103 2.194 261 HE21 GLN 28 HE22 GLN 28 -14.135 3.311 1.879 262 HE22 GLN 28 HE21 GLN 28 -13.578 4.563 2.941 263 H ASP 29 H ASP 29 -9.389 2.284 -1.474 264 HA ASP 29 HA ASP 29 -11.583 2.999 -3.058 265 HB2 ASP 29 HB3 ASP 29 -9.356 4.198 -2.838 266 HB3 ASP 29 HB2 ASP 29 -8.699 3.011 -3.957 267 H VAL 30 H VAL 30 -9.011 0.625 -3.605 268 HA VAL 30 HA VAL 30 -9.846 -0.227 -6.148 269 HB VAL 30 HB VAL 30 -8.249 -1.674 -4.033 270 HG11 VAL 30 HG11 VAL 30 -9.271 -3.307 -5.524 271 HG12 VAL 30 HG12 VAL 30 -7.536 -3.193 -5.818 272 HG13 VAL 30 HG13 VAL 30 -8.670 -2.420 -6.924 273 HG21 VAL 30 HG21 VAL 30 -6.351 -1.085 -5.479 274 HG22 VAL 30 HG22 VAL 30 -7.200 0.342 -4.885 275 HG23 VAL 30 HG23 VAL 30 -7.449 -0.206 -6.543 276 H VAL 31 H VAL 31 -10.630 -1.489 -2.909 277 HA VAL 31 HA VAL 31 -12.162 -3.694 -3.749 278 HB VAL 31 HB VAL 31 -12.551 -2.041 -1.242 279 HG11 VAL 31 HG11 VAL 31 -13.540 -4.079 -0.304 280 HG12 VAL 31 HG12 VAL 31 -13.367 -4.879 -1.866 281 HG13 VAL 31 HG13 VAL 31 -14.451 -3.498 -1.697 282 HG21 VAL 31 HG21 VAL 31 -10.784 -4.414 -1.789 283 HG22 VAL 31 HG22 VAL 31 -11.158 -3.809 -0.175 284 HG23 VAL 31 HG23 VAL 31 -10.286 -2.791 -1.321 285 H ASN 32 H ASN 32 -12.950 -0.310 -3.325 286 HA ASN 32 HA ASN 32 -15.763 -0.818 -3.924 287 HB2 ASN 32 HB3 ASN 32 -14.276 1.640 -2.987 288 HB3 ASN 32 HB2 ASN 32 -15.968 1.687 -3.485 289 HD21 ASN 32 HD22 ASN 32 -13.712 0.697 -1.075 290 HD22 ASN 32 HD21 ASN 32 -14.877 0.233 0.118 291 H SER 33 H SER 33 -13.066 -0.466 -5.660 292 HA SER 33 HA SER 33 -14.364 1.019 -7.822 293 HB2 SER 33 HB3 SER 33 -12.051 1.666 -7.402 294 HB3 SER 33 HB2 SER 33 -11.526 -0.013 -7.518 295 HG SER 33 HG SER 33 -12.767 1.433 -9.627 296 H ASP 34 H ASP 34 -14.642 0.032 -9.870 297 HA ASP 34 HA ASP 34 -15.410 -2.707 -9.716 298 HB2 ASP 34 HB3 ASP 34 -15.160 -0.897 -12.125 299 HB3 ASP 34 HB2 ASP 34 -15.969 -2.464 -12.103 300 H THR 35 H THR 35 -12.466 -1.270 -10.072 301 HA THR 35 HA THR 35 -11.033 -2.937 -11.779 302 HB THR 35 HB THR 35 -10.075 -1.771 -9.152 303 HG1 THR 35 HG1 THR 35 -10.680 0.022 -10.175 304 HG21 THR 35 HG21 THR 35 -7.879 -1.734 -10.197 305 HG22 THR 35 HG22 THR 35 -8.551 -2.399 -11.688 306 HG23 THR 35 HG23 THR 35 -8.521 -3.377 -10.221 307 H PHE 36 H PHE 36 -11.842 -3.332 -8.333 308 HA PHE 36 HA PHE 36 -11.520 -6.229 -8.658 309 HB2 PHE 36 HB3 PHE 36 -10.177 -4.520 -6.581 310 HB3 PHE 36 HB2 PHE 36 -10.564 -6.204 -6.243 311 HD1 PHE 36 HD1 PHE 36 -8.525 -3.944 -8.299 312 HD2 PHE 36 HD2 PHE 36 -9.354 -7.988 -7.276 313 HE1 PHE 36 HE1 PHE 36 -6.454 -4.649 -9.425 314 HE2 PHE 36 HE2 PHE 36 -7.286 -8.700 -8.398 315 HZ PHE 36 HZ PHE 36 -5.832 -7.030 -9.476 316 H LYS 37 H LYS 37 -13.742 -4.459 -8.627 317 HA LYS 37 HA LYS 37 -15.192 -4.192 -6.311 318 HB2 LYS 37 HB3 LYS 37 -15.727 -3.281 -8.557 319 HB3 LYS 37 HB2 LYS 37 -16.251 -4.880 -9.056 320 HG2 LYS 37 HG3 LYS 37 -18.200 -3.688 -8.578 321 HG3 LYS 37 HG2 LYS 37 -17.950 -4.741 -7.184 322 HD2 LYS 37 HD3 LYS 37 -17.394 -3.000 -5.798 323 HD3 LYS 37 HD2 LYS 37 -16.799 -1.996 -7.125 324 HE2 LYS 37 HE3 LYS 37 -19.701 -2.691 -6.730 325 HE3 LYS 37 HE2 LYS 37 -18.953 -1.233 -6.080 326 HZ1 LYS 37 HZ1 LYS 37 -18.678 -0.330 -8.157 327 HZ2 LYS 37 HZ2 LYS 37 -20.136 -1.167 -8.372 328 HZ3 LYS 37 HZ3 LYS 37 -18.688 -1.827 -8.956 329 H GLY 38 H GLY 38 -14.779 -7.055 -8.301 330 HA2 GLY 38 HA3 GLY 38 -16.822 -8.497 -6.787 331 HA3 GLY 38 HA2 GLY 38 -16.044 -9.049 -8.261 332 H GLN 39 H GLN 39 -13.890 -7.783 -5.937 333 HA GLN 39 HA GLN 39 -13.237 -10.522 -5.065 334 HB2 GLN 39 HB3 GLN 39 -11.372 -8.178 -5.493 335 HB3 GLN 39 HB2 GLN 39 -10.894 -9.728 -4.815 336 HG2 GLN 39 HG3 GLN 39 -12.015 -9.311 -7.579 337 HG3 GLN 39 HG2 GLN 39 -10.308 -9.514 -7.186 338 HE21 GLN 39 HE22 GLN 39 -12.101 -11.122 -8.869 339 HE22 GLN 39 HE21 GLN 39 -12.020 -12.728 -8.231 340 HA PRO 40 HA PRO 40 -14.616 -8.449 -1.226 341 HB2 PRO 40 HB2 PRO 40 -14.645 -11.269 -0.331 342 HB3 PRO 40 HB3 PRO 40 -15.919 -10.049 -0.244 343 HG2 PRO 40 HG3 PRO 40 -16.064 -12.070 -1.988 344 HG3 PRO 40 HG2 PRO 40 -16.630 -10.443 -2.414 345 HD2 PRO 40 HD3 PRO 40 -14.076 -11.820 -3.165 346 HD3 PRO 40 HD2 PRO 40 -15.138 -10.797 -4.155 347 H ILE 41 H ILE 41 -12.453 -11.286 -1.316 348 HA ILE 41 HA ILE 41 -10.746 -9.923 0.669 349 HB ILE 41 HB ILE 41 -10.837 -12.907 0.180 350 HG12 ILE 41 HG13 ILE 41 -13.000 -12.212 1.078 351 HG13 ILE 41 HG12 ILE 41 -12.081 -13.069 2.312 352 HG21 ILE 41 HG21 ILE 41 -9.597 -13.052 2.265 353 HG22 ILE 41 HG22 ILE 41 -9.664 -11.297 2.447 354 HG23 ILE 41 HG23 ILE 41 -8.748 -12.011 1.118 355 HD11 ILE 41 HD11 ILE 41 -12.380 -10.084 2.099 356 HD12 ILE 41 HD12 ILE 41 -11.478 -10.951 3.341 357 HD13 ILE 41 HD13 ILE 41 -13.228 -11.138 3.232 358 H PHE 42 H PHE 42 -8.464 -10.053 0.333 359 HA PHE 42 HA PHE 42 -7.806 -10.545 -2.486 360 HB2 PHE 42 HB3 PHE 42 -6.741 -8.484 -0.563 361 HB3 PHE 42 HB2 PHE 42 -5.948 -8.859 -2.090 362 HD1 PHE 42 HD1 PHE 42 -9.203 -7.780 -0.666 363 HD2 PHE 42 HD2 PHE 42 -6.614 -7.800 -4.038 364 HE1 PHE 42 HE1 PHE 42 -10.716 -6.237 -1.828 365 HE2 PHE 42 HE2 PHE 42 -8.120 -6.247 -5.207 366 HZ PHE 42 HZ PHE 42 -10.177 -5.462 -4.104 367 H ASP 43 H ASP 43 -6.385 -12.001 -2.950 368 HA ASP 43 HA ASP 43 -5.161 -13.711 -1.109 369 HB2 ASP 43 HB3 ASP 43 -4.149 -13.169 -3.906 370 HB3 ASP 43 HB2 ASP 43 -4.034 -14.666 -2.990 371 H HIS 44 H HIS 44 -2.928 -13.941 -0.544 372 HA HIS 44 HA HIS 44 -1.482 -11.566 -0.057 373 HB2 HIS 44 HB3 HIS 44 -0.707 -14.476 -0.029 374 HB3 HIS 44 HB2 HIS 44 0.493 -13.218 0.237 375 HD1 HIS 44 HD1 HIS 44 0.895 -13.979 2.673 376 HD2 HIS 44 HD2 HIS 44 -3.025 -12.814 1.875 377 HE1 HIS 44 HE1 HIS 44 -0.217 -13.732 4.920 378 HE2 HIS 44 HE2 HIS 44 -2.607 -13.097 4.413 379 H ALA 45 H ALA 45 -1.663 -13.698 -2.788 380 HA ALA 45 HA ALA 45 0.590 -12.723 -4.213 381 HB1 ALA 45 HB1 ALA 45 -1.984 -13.876 -5.287 382 HB2 ALA 45 HB2 ALA 45 -0.562 -14.803 -4.810 383 HB3 ALA 45 HB3 ALA 45 -0.474 -13.696 -6.180 384 H HIS 46 H HIS 46 -2.740 -11.628 -3.903 385 HA HIS 46 HA HIS 46 -2.457 -9.557 -5.865 386 HB2 HIS 46 HB3 HIS 46 -4.559 -10.297 -3.871 387 HB3 HIS 46 HB2 HIS 46 -4.586 -8.681 -4.571 388 HD1 HIS 46 HD1 HIS 46 -5.918 -11.961 -5.156 389 HD2 HIS 46 HD2 HIS 46 -4.482 -8.886 -7.574 390 HE1 HIS 46 HE1 HIS 46 -6.861 -12.392 -7.444 391 HE2 HIS 46 HE2 HIS 46 -5.936 -10.557 -8.908 392 H THR 47 H THR 47 -2.280 -9.760 -2.338 393 HA THR 47 HA THR 47 -1.657 -7.116 -1.721 394 HB THR 47 HB THR 47 -0.483 -9.636 -0.520 395 HG1 THR 47 HG1 THR 47 -2.776 -8.116 0.239 396 HG21 THR 47 HG21 THR 47 0.798 -7.693 0.143 397 HG22 THR 47 HG22 THR 47 -0.179 -8.253 1.503 398 HG23 THR 47 HG23 THR 47 -0.682 -6.835 0.582 399 H ARG 48 H ARG 48 0.506 -9.786 -2.503 400 HA ARG 48 HA ARG 48 2.978 -8.725 -2.641 401 HB2 ARG 48 HB3 ARG 48 2.794 -10.969 -3.129 402 HB3 ARG 48 HB2 ARG 48 1.467 -10.728 -4.249 403 HG2 ARG 48 HG3 ARG 48 3.139 -9.760 -5.855 404 HG3 ARG 48 HG2 ARG 48 4.400 -10.315 -4.743 405 HD2 ARG 48 HD3 ARG 48 3.357 -12.597 -4.870 406 HD3 ARG 48 HD2 ARG 48 2.336 -11.985 -6.165 407 HE ARG 48 HE ARG 48 5.277 -12.006 -6.371 408 HH11 ARG 48 HH11 ARG 48 2.100 -12.628 -7.726 409 HH12 ARG 48 HH12 ARG 48 2.727 -13.349 -9.179 410 HH21 ARG 48 HH22 ARG 48 6.092 -12.947 -8.266 411 HH22 ARG 48 HH21 ARG 48 4.996 -13.520 -9.488 412 H GLU 49 H GLU 49 0.594 -8.574 -5.250 413 HA GLU 49 HA GLU 49 2.297 -7.090 -6.978 414 HB2 GLU 49 HB3 GLU 49 0.503 -8.674 -7.693 415 HB3 GLU 49 HB2 GLU 49 -0.687 -7.497 -7.157 416 HG2 GLU 49 HG3 GLU 49 -0.215 -6.035 -8.872 417 HG3 GLU 49 HG2 GLU 49 1.396 -6.707 -9.139 418 H PHE 50 H PHE 50 -0.475 -6.250 -4.914 419 HA PHE 50 HA PHE 50 -0.700 -3.575 -5.728 420 HB2 PHE 50 HB3 PHE 50 -1.551 -5.049 -3.264 421 HB3 PHE 50 HB2 PHE 50 -1.720 -3.298 -3.349 422 HD1 PHE 50 HD1 PHE 50 -2.403 -2.995 -6.220 423 HD2 PHE 50 HD2 PHE 50 -3.775 -5.770 -3.302 424 HE1 PHE 50 HE1 PHE 50 -4.521 -3.226 -7.445 425 HE2 PHE 50 HE2 PHE 50 -5.895 -6.010 -4.525 426 HZ PHE 50 HZ PHE 50 -6.269 -4.732 -6.598 427 H ILE 51 H ILE 51 1.183 -5.007 -3.072 428 HA ILE 51 HA ILE 51 2.094 -2.575 -1.992 429 HB ILE 51 HB ILE 51 3.510 -5.247 -1.989 430 HG12 ILE 51 HG13 ILE 51 1.719 -3.951 0.079 431 HG13 ILE 51 HG12 ILE 51 1.272 -5.307 -0.952 432 HG21 ILE 51 HG21 ILE 51 4.755 -4.377 -0.076 433 HG22 ILE 51 HG22 ILE 51 3.939 -2.823 -0.243 434 HG23 ILE 51 HG23 ILE 51 5.030 -3.387 -1.510 435 HD11 ILE 51 HD11 ILE 51 3.443 -5.309 1.135 436 HD12 ILE 51 HD12 ILE 51 3.009 -6.668 0.096 437 HD13 ILE 51 HD13 ILE 51 1.852 -6.057 1.277 438 H GLN 52 H GLN 52 3.562 -4.740 -4.396 439 HA GLN 52 HA GLN 52 5.894 -3.199 -4.779 440 HB2 GLN 52 HB3 GLN 52 5.542 -5.601 -5.453 441 HB3 GLN 52 HB2 GLN 52 4.593 -5.011 -6.811 442 HG2 GLN 52 HG3 GLN 52 6.842 -5.524 -7.515 443 HG3 GLN 52 HG2 GLN 52 6.544 -3.790 -7.638 444 HE21 GLN 52 HE22 GLN 52 7.639 -2.387 -6.295 445 HE22 GLN 52 HE21 GLN 52 8.989 -2.881 -5.339 446 H SER 53 H SER 53 2.784 -3.255 -6.474 447 HA SER 53 HA SER 53 3.532 -1.453 -8.518 448 HB2 SER 53 HB3 SER 53 1.584 -3.036 -8.612 449 HB3 SER 53 HB2 SER 53 0.734 -1.967 -7.495 450 HG SER 53 HG SER 53 1.146 -0.278 -9.119 451 H PHE 54 H PHE 54 2.168 -0.973 -5.298 452 HA PHE 54 HA PHE 54 1.499 1.754 -5.594 453 HB2 PHE 54 HB3 PHE 54 0.842 0.212 -3.676 454 HB3 PHE 54 HB2 PHE 54 2.464 0.457 -3.037 455 HD1 PHE 54 HD2 PHE 54 3.156 2.701 -2.255 456 HD2 PHE 54 HD1 PHE 54 -0.838 1.870 -3.468 457 HE1 PHE 54 HE2 PHE 54 2.387 4.745 -1.119 458 HE2 PHE 54 HE1 PHE 54 -1.613 3.911 -2.333 459 HZ PHE 54 HZ PHE 54 0.003 5.352 -1.156 460 H ILE 55 H ILE 55 4.451 0.097 -4.636 461 HA ILE 55 HA ILE 55 6.028 2.359 -4.065 462 HB ILE 55 HB ILE 55 6.824 -0.377 -5.079 463 HG12 ILE 55 HG13 ILE 55 6.858 0.789 -2.286 464 HG13 ILE 55 HG12 ILE 55 5.658 -0.344 -2.901 465 HG21 ILE 55 HG21 ILE 55 9.077 0.136 -4.253 466 HG22 ILE 55 HG22 ILE 55 8.561 1.786 -3.900 467 HG23 ILE 55 HG23 ILE 55 8.591 1.210 -5.567 468 HD11 ILE 55 HD11 ILE 55 8.599 -0.887 -2.569 469 HD12 ILE 55 HD12 ILE 55 7.408 -2.022 -3.205 470 HD13 ILE 55 HD13 ILE 55 7.300 -1.476 -1.530 471 H GLU 56 H GLU 56 5.432 0.556 -7.049 472 HA GLU 56 HA GLU 56 7.244 2.030 -8.658 473 HB2 GLU 56 HB3 GLU 56 4.839 0.378 -9.433 474 HB3 GLU 56 HB2 GLU 56 6.026 1.010 -10.566 475 HG2 GLU 56 HG3 GLU 56 7.769 -0.289 -9.362 476 HG3 GLU 56 HG2 GLU 56 6.487 -1.014 -8.391 477 H ARG 57 H ARG 57 4.102 2.734 -7.482 478 HA ARG 57 HA ARG 57 3.280 4.501 -9.562 479 HB2 ARG 57 HB3 ARG 57 1.688 3.492 -7.953 480 HB3 ARG 57 HB2 ARG 57 2.406 4.447 -6.663 481 HG2 ARG 57 HG3 ARG 57 1.668 6.195 -8.789 482 HG3 ARG 57 HG2 ARG 57 0.298 5.153 -8.403 483 HD2 ARG 57 HD3 ARG 57 0.206 7.177 -7.077 484 HD3 ARG 57 HD2 ARG 57 0.501 5.786 -6.039 485 HE ARG 57 HE ARG 57 2.856 6.502 -5.962 486 HH11 ARG 57 HH11 ARG 57 0.472 8.836 -7.019 487 HH12 ARG 57 HH12 ARG 57 1.383 10.208 -6.464 488 HH21 ARG 57 HH22 ARG 57 4.087 8.334 -5.250 489 HH22 ARG 57 HH21 ARG 57 3.440 9.932 -5.494 490 H ASP 58 H ASP 58 5.292 4.812 -6.733 491 HA ASP 58 HA ASP 58 5.125 7.637 -6.485 492 HB2 ASP 58 HB3 ASP 58 6.028 5.901 -4.783 493 HB3 ASP 58 HB2 ASP 58 7.547 6.064 -5.663 494 H ASP 59 H ASP 59 7.092 5.470 -8.366 495 HA ASP 59 HA ASP 59 8.993 7.322 -9.312 496 HB2 ASP 59 HB3 ASP 59 9.396 4.969 -9.606 497 HB3 ASP 59 HB2 ASP 59 7.910 4.775 -10.530 498 H THR 60 H THR 60 5.674 6.801 -10.068 499 HA THR 60 HA THR 60 5.692 8.123 -12.601 500 HB THR 60 HB THR 60 3.352 7.647 -10.740 501 HG1 THR 60 HG1 THR 60 4.855 5.962 -12.359 502 HG21 THR 60 HG21 THR 60 2.878 9.250 -12.532 503 HG22 THR 60 HG22 THR 60 2.018 7.734 -12.802 504 HG23 THR 60 HG23 THR 60 3.476 8.099 -13.728 505 H GLU 61 H GLU 61 5.424 9.126 -9.258 506 HA GLU 61 HA GLU 61 4.675 11.837 -9.950 507 HB2 GLU 61 HB3 GLU 61 4.088 10.649 -7.762 508 HB3 GLU 61 HB2 GLU 61 5.772 10.865 -7.307 509 HG2 GLU 61 HG3 GLU 61 5.533 13.269 -7.442 510 HG3 GLU 61 HG2 GLU 61 3.866 13.094 -7.992 511 H LEU 62 H LEU 62 7.503 9.966 -9.131 512 HA LEU 62 HA LEU 62 9.463 11.971 -9.158 513 HB2 LEU 62 HB3 LEU 62 9.852 9.666 -8.414 514 HB3 LEU 62 HB2 LEU 62 9.597 9.084 -10.045 515 HG LEU 62 HG LEU 62 11.634 10.220 -10.786 516 HD11 LEU 62 HD11 LEU 62 11.600 12.096 -9.222 517 HD12 LEU 62 HD12 LEU 62 13.141 11.240 -9.163 518 HD13 LEU 62 HD13 LEU 62 11.947 10.993 -7.890 519 HD21 LEU 62 HD21 LEU 62 11.976 8.465 -8.358 520 HD22 LEU 62 HD22 LEU 62 13.235 8.818 -9.542 521 HD23 LEU 62 HD23 LEU 62 11.792 7.929 -10.029 522 H ASP 63 H ASP 63 7.757 10.303 -11.692 523 HA ASP 63 HA ASP 63 9.405 10.930 -13.867 524 HB2 ASP 63 HB3 ASP 63 7.165 9.417 -13.520 525 HB3 ASP 63 HB2 ASP 63 6.510 10.791 -14.406 526 H GLU 64 H GLU 64 6.887 12.721 -12.219 527 HA GLU 64 HA GLU 64 6.532 14.813 -14.049 528 HB2 GLU 64 HB3 GLU 64 6.348 14.741 -11.036 529 HB3 GLU 64 HB2 GLU 64 5.938 16.165 -11.982 530 HG2 GLU 64 HG3 GLU 64 4.647 13.498 -12.443 531 HG3 GLU 64 HG2 GLU 64 4.033 14.663 -11.272 532 H LEU 65 H LEU 65 8.969 14.270 -11.560 533 HA LEU 65 HA LEU 65 10.222 16.820 -11.883 534 HB2 LEU 65 HB3 LEU 65 11.247 14.263 -10.647 535 HB3 LEU 65 HB2 LEU 65 12.064 15.811 -10.555 536 HG LEU 65 HG LEU 65 9.352 15.186 -9.379 537 HD11 LEU 65 HD11 LEU 65 10.477 15.367 -7.231 538 HD12 LEU 65 HD12 LEU 65 12.018 15.632 -8.045 539 HD13 LEU 65 HD13 LEU 65 11.193 14.082 -8.204 540 HD21 LEU 65 HD21 LEU 65 11.050 17.672 -9.204 541 HD22 LEU 65 HD22 LEU 65 9.549 17.385 -8.326 542 HD23 LEU 65 HD23 LEU 65 9.530 17.510 -10.085 543 H LYS 66 H LYS 66 10.530 13.681 -13.344 544 HA LYS 66 HA LYS 66 13.038 14.002 -14.587 545 HB2 LYS 66 HB3 LYS 66 10.654 12.387 -15.517 546 HB3 LYS 66 HB2 LYS 66 12.306 12.192 -16.087 547 HG2 LYS 66 HG3 LYS 66 13.004 11.444 -13.895 548 HG3 LYS 66 HG2 LYS 66 11.383 11.739 -13.257 549 HD2 LYS 66 HD3 LYS 66 10.576 10.122 -15.071 550 HD3 LYS 66 HD2 LYS 66 12.272 9.658 -15.233 551 HE2 LYS 66 HE3 LYS 66 12.356 8.957 -12.938 552 HE3 LYS 66 HE2 LYS 66 10.735 9.585 -12.642 553 HZ1 LYS 66 HZ1 LYS 66 10.579 7.243 -12.922 554 HZ2 LYS 66 HZ2 LYS 66 11.480 7.284 -14.360 555 HZ3 LYS 66 HZ3 LYS 66 9.924 7.959 -14.320 556 H LYS 67 H LYS 67 9.738 14.628 -15.734 557 HA LYS 67 HA LYS 67 10.609 15.500 -18.307 558 HB2 LYS 67 HB3 LYS 67 8.156 16.315 -18.438 559 HB3 LYS 67 HB2 LYS 67 8.487 14.590 -18.370 560 HG2 LYS 67 HG3 LYS 67 8.090 14.723 -15.890 561 HG3 LYS 67 HG2 LYS 67 7.511 16.369 -16.154 562 HD2 LYS 67 HD3 LYS 67 6.380 14.109 -17.751 563 HD3 LYS 67 HD2 LYS 67 5.819 14.393 -16.103 564 HE2 LYS 67 HE3 LYS 67 5.855 16.508 -18.246 565 HE3 LYS 67 HE2 LYS 67 4.456 15.491 -17.899 566 HZ1 LYS 67 HZ1 LYS 67 4.502 16.332 -15.604 567 HZ2 LYS 67 HZ2 LYS 67 4.258 17.573 -16.739 568 HZ3 LYS 67 HZ3 LYS 67 5.774 17.378 -16.017 569 H LYS 68 H LYS 68 10.416 17.089 -15.283 570 HA LYS 68 HA LYS 68 10.106 19.746 -16.283 571 HB2 LYS 68 HB3 LYS 68 11.414 18.783 -13.731 572 HB3 LYS 68 HB2 LYS 68 11.063 20.464 -14.108 573 HG2 LYS 68 HG3 LYS 68 8.650 19.829 -14.276 574 HG3 LYS 68 HG2 LYS 68 9.096 18.238 -13.652 575 HD2 LYS 68 HD3 LYS 68 10.116 19.417 -11.678 576 HD3 LYS 68 HD2 LYS 68 9.380 20.905 -12.279 577 HE2 LYS 68 HE3 LYS 68 7.171 19.688 -12.231 578 HE3 LYS 68 HE2 LYS 68 7.994 18.398 -11.356 579 HZ1 LYS 68 HZ1 LYS 68 7.077 19.735 -9.701 580 HZ2 LYS 68 HZ2 LYS 68 7.494 21.179 -10.492 581 HZ3 LYS 68 HZ3 LYS 68 8.695 20.240 -9.759 582 H ARG 69 H ARG 69 12.618 17.465 -16.328 583 HA ARG 69 HA ARG 69 14.824 19.260 -16.512 584 HB2 ARG 69 HB3 ARG 69 14.945 16.822 -15.904 585 HB3 ARG 69 HB2 ARG 69 14.631 16.446 -17.590 586 HG2 ARG 69 HG3 ARG 69 16.685 17.480 -18.263 587 HG3 ARG 69 HG2 ARG 69 16.975 18.060 -16.620 588 HD2 ARG 69 HD3 ARG 69 16.878 15.183 -17.527 589 HD3 ARG 69 HD2 ARG 69 18.316 16.086 -17.050 590 HE ARG 69 HE ARG 69 16.140 15.274 -15.231 591 HH11 ARG 69 HH11 ARG 69 19.442 16.291 -15.797 592 HH12 ARG 69 HH12 ARG 69 19.966 15.936 -14.172 593 HH21 ARG 69 HH22 ARG 69 16.832 14.809 -13.070 594 HH22 ARG 69 HH21 ARG 69 18.486 15.112 -12.638 595 H ARG 70 H ARG 70 12.467 17.985 -18.745 596 HA ARG 70 HA ARG 70 13.790 18.854 -21.129 597 HB2 ARG 70 HB3 ARG 70 10.877 18.238 -20.593 598 HB3 ARG 70 HB2 ARG 70 11.541 18.583 -22.183 599 HG2 ARG 70 HG3 ARG 70 12.989 16.618 -21.998 600 HG3 ARG 70 HG2 ARG 70 12.295 16.268 -20.413 601 HD2 ARG 70 HD3 ARG 70 10.087 16.024 -21.433 602 HD3 ARG 70 HD2 ARG 70 10.774 16.385 -23.017 603 HE ARG 70 HE ARG 70 12.209 14.312 -22.530 604 HH11 ARG 70 HH11 ARG 70 8.872 14.744 -21.565 605 HH12 ARG 70 HH12 ARG 70 8.543 13.038 -21.482 606 HH21 ARG 70 HH22 ARG 70 11.774 12.069 -22.439 607 HH22 ARG 70 HH21 ARG 70 10.186 11.521 -21.991 608 H SER 71 H SER 71 11.809 20.312 -18.712 609 HA SER 71 HA SER 71 11.327 22.746 -20.165 610 HB2 SER 71 HB3 SER 71 11.188 22.361 -17.171 611 HB3 SER 71 HB2 SER 71 10.280 23.502 -18.165 612 HG SER 71 HG SER 71 8.836 22.014 -18.478 613 H ASN 72 H ASN 72 14.035 21.382 -19.094 614 HA ASN 72 HA ASN 72 16.167 22.093 -18.956 615 HB2 ASN 72 HB3 ASN 72 15.323 23.956 -20.524 616 HB3 ASN 72 HB2 ASN 72 15.255 24.966 -19.084 617 HD21 ASN 72 HD22 ASN 72 17.107 25.823 -18.286 618 HD22 ASN 72 HD21 ASN 72 18.672 25.582 -18.998 619 H ARG 73 H ARG 73 14.196 21.847 -16.740 620 HA ARG 73 HA ARG 73 15.858 23.214 -14.749 621 HB2 ARG 73 HB3 ARG 73 13.470 23.957 -14.751 622 HB3 ARG 73 HB2 ARG 73 13.002 22.309 -14.357 623 HG2 ARG 73 HG3 ARG 73 12.995 23.350 -12.295 624 HG3 ARG 73 HG2 ARG 73 14.583 22.582 -12.334 625 HD2 ARG 73 HD3 ARG 73 13.948 25.479 -12.882 626 HD3 ARG 73 HD2 ARG 73 14.790 24.829 -11.479 627 HE ARG 73 HE ARG 73 16.439 24.043 -13.360 628 HH11 ARG 73 HH11 ARG 73 14.799 27.120 -13.022 629 HH12 ARG 73 HH12 ARG 73 15.984 27.990 -13.950 630 HH21 ARG 73 HH22 ARG 73 18.007 25.208 -14.571 631 HH22 ARG 73 HH21 ARG 73 17.807 26.920 -14.810 632 HA PRO 74 HA PRO 74 16.589 18.739 -14.126 633 HB2 PRO 74 HB2 PRO 74 19.261 18.893 -13.838 634 HB3 PRO 74 HB3 PRO 74 18.488 18.852 -15.426 635 HG2 PRO 74 HG3 PRO 74 19.606 21.171 -13.918 636 HG3 PRO 74 HG2 PRO 74 19.669 20.823 -15.656 637 HD2 PRO 74 HD3 PRO 74 17.904 22.582 -14.466 638 HD3 PRO 74 HD2 PRO 74 17.643 21.796 -16.035 639 HA PRO 75 HA PRO 75 16.883 19.604 -9.709 640 HB2 PRO 75 HB2 PRO 75 15.322 17.355 -9.106 641 HB3 PRO 75 HB3 PRO 75 14.739 19.009 -9.282 642 HG2 PRO 75 HG3 PRO 75 14.160 16.812 -10.965 643 HG3 PRO 75 HG2 PRO 75 13.748 18.510 -11.248 644 HD2 PRO 75 HD3 PRO 75 15.977 16.892 -12.355 645 HD3 PRO 75 HD2 PRO 75 15.129 18.287 -13.058 646 H SER 76 H SER 76 18.944 19.066 -9.136 647 HA SER 76 HA SER 76 20.029 16.454 -9.517 648 HB2 SER 76 HB3 SER 76 21.032 18.715 -7.767 649 HB3 SER 76 HB2 SER 76 21.962 17.305 -8.274 650 HG SER 76 HG SER 76 21.887 18.018 -10.380 651 H ASN 77 H ASN 77 19.676 18.214 -6.445 652 HA ASN 77 HA ASN 77 19.667 15.762 -4.968 653 HB2 ASN 77 HB3 ASN 77 19.203 18.621 -4.093 654 HB3 ASN 77 HB2 ASN 77 19.332 17.256 -2.991 655 HD21 ASN 77 HD22 ASN 77 21.115 18.112 -1.966 656 HD22 ASN 77 HD21 ASN 77 22.683 18.155 -2.699 657 H ARG 78 H ARG 78 17.260 18.047 -6.052 658 HA ARG 78 HA ARG 78 15.213 17.312 -4.256 659 HB2 ARG 78 HB3 ARG 78 14.919 18.546 -6.998 660 HB3 ARG 78 HB2 ARG 78 13.712 18.553 -5.717 661 HG2 ARG 78 HG3 ARG 78 15.350 19.824 -4.310 662 HG3 ARG 78 HG2 ARG 78 16.366 19.965 -5.745 663 HD2 ARG 78 HD3 ARG 78 14.439 21.041 -6.909 664 HD3 ARG 78 HD2 ARG 78 13.572 21.032 -5.374 665 HE ARG 78 HE ARG 78 15.917 22.655 -6.047 666 HH11 ARG 78 HH11 ARG 78 13.439 21.772 -3.727 667 HH12 ARG 78 HH12 ARG 78 13.670 23.192 -2.754 668 HH21 ARG 78 HH22 ARG 78 16.243 24.500 -4.768 669 HH22 ARG 78 HH21 ARG 78 15.287 24.733 -3.328 670 H GLN 79 H GLN 79 16.232 15.969 -7.329 671 HA GLN 79 HA GLN 79 13.883 14.376 -7.694 672 HB2 GLN 79 HB3 GLN 79 15.338 14.971 -9.588 673 HB3 GLN 79 HB2 GLN 79 16.651 14.043 -8.874 674 HG2 GLN 79 HG3 GLN 79 15.411 11.997 -9.145 675 HG3 GLN 79 HG2 GLN 79 14.008 12.887 -9.731 676 HE21 GLN 79 HE22 GLN 79 15.578 10.770 -10.984 677 HE22 GLN 79 HE21 GLN 79 16.114 11.416 -12.496 678 H VAL 80 H VAL 80 16.993 13.968 -6.141 679 HA VAL 80 HA VAL 80 16.770 11.200 -5.589 680 HB VAL 80 HB VAL 80 18.305 13.303 -4.042 681 HG11 VAL 80 HG11 VAL 80 18.639 10.306 -4.142 682 HG12 VAL 80 HG12 VAL 80 18.024 11.239 -2.778 683 HG13 VAL 80 HG13 VAL 80 19.699 11.433 -3.295 684 HG21 VAL 80 HG21 VAL 80 19.188 11.536 -6.323 685 HG22 VAL 80 HG22 VAL 80 20.232 12.611 -5.390 686 HG23 VAL 80 HG23 VAL 80 18.944 13.281 -6.392 687 H LEU 81 H LEU 81 15.830 14.121 -3.834 688 HA LEU 81 HA LEU 81 14.983 12.995 -1.441 689 HB2 LEU 81 HB3 LEU 81 14.387 15.468 -2.930 690 HB3 LEU 81 HB2 LEU 81 13.159 14.982 -1.777 691 HG LEU 81 HG LEU 81 14.729 16.578 -0.794 692 HD11 LEU 81 HD11 LEU 81 14.985 13.804 0.354 693 HD12 LEU 81 HD12 LEU 81 13.673 14.943 0.660 694 HD13 LEU 81 HD13 LEU 81 15.306 15.309 1.216 695 HD21 LEU 81 HD21 LEU 81 16.825 14.471 -1.303 696 HD22 LEU 81 HD22 LEU 81 17.055 15.955 -0.379 697 HD23 LEU 81 HD23 LEU 81 16.709 16.037 -2.107 698 H LEU 82 H LEU 82 13.227 13.307 -4.500 699 HA LEU 82 HA LEU 82 10.788 12.199 -3.560 700 HB2 LEU 82 HB3 LEU 82 11.192 13.509 -5.717 701 HB3 LEU 82 HB2 LEU 82 11.855 12.033 -6.380 702 HG LEU 82 HG LEU 82 9.560 12.400 -7.128 703 HD11 LEU 82 HD11 LEU 82 10.305 10.097 -6.907 704 HD12 LEU 82 HD12 LEU 82 8.582 10.251 -6.557 705 HD13 LEU 82 HD13 LEU 82 9.737 10.065 -5.237 706 HD21 LEU 82 HD21 LEU 82 7.692 12.239 -5.551 707 HD22 LEU 82 HD22 LEU 82 8.697 13.664 -5.273 708 HD23 LEU 82 HD23 LEU 82 8.843 12.261 -4.213 709 H GLN 83 H GLN 83 13.501 10.806 -5.390 710 HA GLN 83 HA GLN 83 12.628 8.204 -5.618 711 HB2 GLN 83 HB3 GLN 83 14.621 9.023 -6.747 712 HB3 GLN 83 HB2 GLN 83 15.450 9.209 -5.207 713 HG2 GLN 83 HG3 GLN 83 15.235 6.756 -4.874 714 HG3 GLN 83 HG2 GLN 83 14.587 6.642 -6.508 715 HE21 GLN 83 HE22 GLN 83 16.988 5.498 -5.311 716 HE22 GLN 83 HE21 GLN 83 18.314 6.041 -6.289 717 H GLN 84 H GLN 84 14.206 9.751 -2.884 718 HA GLN 84 HA GLN 84 14.842 7.475 -1.401 719 HB2 GLN 84 HB3 GLN 84 14.235 10.287 -0.561 720 HB3 GLN 84 HB2 GLN 84 14.733 9.044 0.578 721 HG2 GLN 84 HG3 GLN 84 16.799 8.719 -0.747 722 HG3 GLN 84 HG2 GLN 84 16.306 10.060 -1.777 723 HE21 GLN 84 HE22 GLN 84 15.163 11.533 0.480 724 HE22 GLN 84 HE21 GLN 84 16.513 12.189 1.348 725 H ARG 85 H ARG 85 11.753 9.049 -1.833 726 HA ARG 85 HA ARG 85 10.331 8.284 0.409 727 HB2 ARG 85 HB3 ARG 85 9.501 8.235 -2.486 728 HB3 ARG 85 HB2 ARG 85 8.391 7.861 -1.185 729 HG2 ARG 85 HG3 ARG 85 8.765 10.147 -0.290 730 HG3 ARG 85 HG2 ARG 85 9.732 10.494 -1.736 731 HD2 ARG 85 HD3 ARG 85 7.822 9.827 -3.136 732 HD3 ARG 85 HD2 ARG 85 6.866 9.564 -1.687 733 HE ARG 85 HE ARG 85 7.715 12.187 -1.576 734 HH11 ARG 85 HH11 ARG 85 5.890 10.133 -3.735 735 HH12 ARG 85 HH12 ARG 85 4.873 11.427 -4.324 736 HH21 ARG 85 HH22 ARG 85 6.379 13.916 -2.354 737 HH22 ARG 85 HH21 ARG 85 5.175 13.571 -3.571 738 H ARG 86 H ARG 86 10.592 6.436 -2.588 739 HA ARG 86 HA ARG 86 9.551 4.115 -1.168 740 HB2 ARG 86 HB3 ARG 86 8.827 3.247 -3.178 741 HB3 ARG 86 HB2 ARG 86 8.677 4.971 -3.460 742 HG2 ARG 86 HG3 ARG 86 11.045 3.354 -4.357 743 HG3 ARG 86 HG2 ARG 86 9.613 3.616 -5.347 744 HD2 ARG 86 HD3 ARG 86 9.988 6.036 -5.232 745 HD3 ARG 86 HD2 ARG 86 11.434 5.757 -4.258 746 HE ARG 86 HE ARG 86 11.146 5.373 -7.110 747 HH11 ARG 86 HH11 ARG 86 13.032 4.670 -4.255 748 HH12 ARG 86 HH12 ARG 86 14.459 4.225 -5.138 749 HH21 ARG 86 HH22 ARG 86 13.027 4.775 -8.292 750 HH22 ARG 86 HH21 ARG 86 14.447 4.255 -7.419 751 H ASP 87 H ASP 87 12.503 5.403 -1.974 752 HA ASP 87 HA ASP 87 13.922 2.916 -2.283 753 HB2 ASP 87 HB3 ASP 87 14.594 5.579 -2.664 754 HB3 ASP 87 HB2 ASP 87 15.488 5.146 -1.209 755 H GLN 88 H GLN 88 13.128 5.157 0.329 756 HA GLN 88 HA GLN 88 14.297 3.651 2.427 757 HB2 GLN 88 HB3 GLN 88 13.622 5.935 2.848 758 HB3 GLN 88 HB2 GLN 88 11.957 5.571 2.416 759 HG2 GLN 88 HG3 GLN 88 11.826 4.049 4.359 760 HG3 GLN 88 HG2 GLN 88 13.457 4.536 4.811 761 HE21 GLN 88 HE22 GLN 88 10.898 4.802 6.231 762 HE22 GLN 88 HE21 GLN 88 10.718 6.496 6.561 763 H GLU 89 H GLU 89 11.122 3.644 0.878 764 HA GLU 89 HA GLU 89 9.915 1.683 2.454 765 HB2 GLU 89 HB3 GLU 89 9.509 2.386 -0.449 766 HB3 GLU 89 HB2 GLU 89 8.519 1.207 0.401 767 HG2 GLU 89 HG3 GLU 89 7.935 2.990 2.038 768 HG3 GLU 89 HG2 GLU 89 8.783 4.139 1.005 769 H LEU 90 H LEU 90 12.167 1.383 -0.243 770 HA LEU 90 HA LEU 90 11.954 -1.442 -0.487 771 HB2 LEU 90 HB3 LEU 90 14.181 0.450 -1.241 772 HB3 LEU 90 HB2 LEU 90 14.190 -1.260 -1.620 773 HG LEU 90 HG LEU 90 12.178 0.755 -2.623 774 HD11 LEU 90 HD11 LEU 90 14.360 1.041 -3.647 775 HD12 LEU 90 HD12 LEU 90 13.220 0.350 -4.803 776 HD13 LEU 90 HD13 LEU 90 14.426 -0.678 -4.030 777 HD21 LEU 90 HD21 LEU 90 11.166 -1.440 -2.332 778 HD22 LEU 90 HD22 LEU 90 12.485 -2.183 -3.239 779 HD23 LEU 90 HD23 LEU 90 11.375 -1.074 -4.045 780 H LYS 91 H LYS 91 13.854 0.689 1.526 781 HA LYS 91 HA LYS 91 15.651 -1.230 2.552 782 HB2 LYS 91 HB3 LYS 91 16.032 1.173 2.767 783 HB3 LYS 91 HB2 LYS 91 14.601 1.331 3.774 784 HG2 LYS 91 HG3 LYS 91 15.635 0.085 5.543 785 HG3 LYS 91 HG2 LYS 91 17.025 -0.290 4.519 786 HD2 LYS 91 HD3 LYS 91 17.613 2.065 4.411 787 HD3 LYS 91 HD2 LYS 91 16.188 2.484 5.361 788 HE2 LYS 91 HE3 LYS 91 18.299 2.446 6.672 789 HE3 LYS 91 HE2 LYS 91 17.057 1.357 7.285 790 HZ1 LYS 91 HZ1 LYS 91 18.190 -0.500 6.510 791 HZ2 LYS 91 HZ2 LYS 91 19.428 0.487 7.117 792 HZ3 LYS 91 HZ3 LYS 91 19.166 0.397 5.445 793 H GLU 92 H GLU 92 12.446 -0.152 3.592 794 HA GLU 92 HA GLU 92 12.428 -1.967 5.846 795 HB2 GLU 92 HB3 GLU 92 11.294 0.306 5.773 796 HB3 GLU 92 HB2 GLU 92 10.097 -0.419 4.712 797 HG2 GLU 92 HG3 GLU 92 9.272 -1.808 6.397 798 HG3 GLU 92 HG2 GLU 92 10.700 -1.579 7.407 799 H PHE 93 H PHE 93 11.361 -1.882 2.570 800 HA PHE 93 HA PHE 93 9.548 -3.938 2.317 801 HB2 PHE 93 HB3 PHE 93 10.318 -2.428 0.524 802 HB3 PHE 93 HB2 PHE 93 11.886 -3.210 0.533 803 HD1 PHE 93 HD1 PHE 93 12.203 -5.360 -0.515 804 HD2 PHE 93 HD2 PHE 93 8.411 -3.436 -0.519 805 HE1 PHE 93 HE1 PHE 93 11.466 -6.827 -2.343 806 HE2 PHE 93 HE2 PHE 93 7.662 -4.907 -2.341 807 HZ PHE 93 HZ PHE 93 9.193 -6.603 -3.257 808 H LYS 94 H LYS 94 13.057 -4.082 2.514 809 HA LYS 94 HA LYS 94 13.425 -6.832 2.128 810 HB2 LYS 94 HB3 LYS 94 15.070 -4.870 3.734 811 HB3 LYS 94 HB2 LYS 94 15.611 -6.464 3.226 812 HG2 LYS 94 HG3 LYS 94 15.674 -5.848 0.970 813 HG3 LYS 94 HG2 LYS 94 14.706 -4.400 1.251 814 HD2 LYS 94 HD3 LYS 94 16.513 -3.368 2.463 815 HD3 LYS 94 HD2 LYS 94 17.470 -4.849 2.366 816 HE2 LYS 94 HE3 LYS 94 16.548 -3.257 -0.024 817 HE3 LYS 94 HE2 LYS 94 18.135 -3.090 0.729 818 HZ1 LYS 94 HZ1 LYS 94 17.050 -5.582 -0.482 819 HZ2 LYS 94 HZ2 LYS 94 18.572 -5.417 0.249 820 HZ3 LYS 94 HZ3 LYS 94 18.219 -4.569 -1.177 821 H ALA 95 H ALA 95 12.457 -5.027 4.959 822 HA ALA 95 HA ALA 95 12.717 -7.461 6.604 823 HB1 ALA 95 HB1 ALA 95 12.780 -5.979 8.549 824 HB2 ALA 95 HB2 ALA 95 12.625 -4.578 7.488 825 HB3 ALA 95 HB3 ALA 95 14.066 -5.591 7.404 826 H GLY 96 H GLY 96 10.483 -6.273 4.788 827 HA2 GLY 96 HA3 GLY 96 8.194 -6.773 4.859 828 HA3 GLY 96 HA2 GLY 96 8.322 -7.018 6.593 829 H PHE 97 H PHE 97 6.852 -5.176 4.426 830 HA PHE 97 HA PHE 97 7.223 -2.620 5.807 831 HB2 PHE 97 HB3 PHE 97 7.224 -2.805 3.271 832 HB3 PHE 97 HB2 PHE 97 5.508 -3.181 3.379 833 HD1 PHE 97 HD1 PHE 97 8.037 -0.587 4.124 834 HD2 PHE 97 HD2 PHE 97 3.909 -1.469 3.579 835 HE1 PHE 97 HE1 PHE 97 7.528 1.820 4.111 836 HE2 PHE 97 HE2 PHE 97 3.394 0.936 3.569 837 HZ PHE 97 HZ PHE 97 5.204 2.584 3.834 838 H LEU 98 H LEU 98 5.364 -1.438 6.588 839 HA LEU 98 HA LEU 98 3.501 -3.118 7.966 840 HB2 LEU 98 HB3 LEU 98 4.413 -1.070 8.973 841 HB3 LEU 98 HB2 LEU 98 3.617 -0.109 7.741 842 HG LEU 98 HG LEU 98 1.420 -0.914 8.602 843 HD11 LEU 98 HD11 LEU 98 2.170 -2.989 9.628 844 HD12 LEU 98 HD12 LEU 98 1.346 -1.968 10.806 845 HD13 LEU 98 HD13 LEU 98 3.106 -2.077 10.813 846 HD21 LEU 98 HD21 LEU 98 3.194 0.473 10.606 847 HD22 LEU 98 HD22 LEU 98 1.431 0.492 10.602 848 HD23 LEU 98 HD23 LEU 98 2.324 1.245 9.281 849 H CYS 99 H CYS 99 2.100 -4.120 6.616 850 HA CYS 99 HA CYS 99 0.211 -2.372 5.194 851 HB2 CYS 99 HB3 CYS 99 1.276 -5.038 4.234 852 HB3 CYS 99 HB2 CYS 99 -0.032 -4.144 3.467 853 HG CYS 99 HG CYS 99 2.687 -2.275 3.847 854 HA PRO 100 HA PRO 100 -2.847 -4.421 7.636 855 HB2 PRO 100 HB2 PRO 100 -5.017 -4.151 5.992 856 HB3 PRO 100 HB3 PRO 100 -4.376 -2.850 6.998 857 HG2 PRO 100 HG3 PRO 100 -3.987 -3.363 4.085 858 HG3 PRO 100 HG2 PRO 100 -4.215 -1.824 4.934 859 HD2 PRO 100 HD3 PRO 100 -1.790 -2.696 4.084 860 HD3 PRO 100 HD2 PRO 100 -1.999 -1.676 5.521 861 H ASP 101 H ASP 101 -3.959 -6.348 7.822 862 HA ASP 101 HA ASP 101 -3.084 -8.469 6.107 863 HB2 ASP 101 HB3 ASP 101 -3.441 -8.659 8.596 864 HB3 ASP 101 HB2 ASP 101 -5.172 -8.581 8.294 865 H LEU 102 H LEU 102 -3.974 -8.752 4.160 866 HA LEU 102 HA LEU 102 -6.732 -7.946 3.700 867 HB2 LEU 102 HB3 LEU 102 -4.578 -8.869 1.811 868 HB3 LEU 102 HB2 LEU 102 -6.204 -8.448 1.313 869 HG LEU 102 HG LEU 102 -4.096 -6.619 2.440 870 HD11 LEU 102 HD11 LEU 102 -5.583 -6.763 -0.176 871 HD12 LEU 102 HD12 LEU 102 -3.867 -7.080 0.094 872 HD13 LEU 102 HD13 LEU 102 -4.504 -5.447 0.291 873 HD21 LEU 102 HD21 LEU 102 -5.757 -4.828 2.286 874 HD22 LEU 102 HD22 LEU 102 -6.247 -6.055 3.455 875 HD23 LEU 102 HD23 LEU 102 -6.995 -6.011 1.859 876 H SER 103 H SER 103 -5.402 -10.678 4.842 877 HA SER 103 HA SER 103 -6.937 -12.479 3.115 878 HB2 SER 103 HB3 SER 103 -5.659 -14.246 4.560 879 HB3 SER 103 HB2 SER 103 -4.811 -13.375 3.286 880 HG SER 103 HG SER 103 -4.785 -12.136 5.773 881 H ASP 104 H ASP 104 -7.760 -10.680 5.530 882 HA ASP 104 HA ASP 104 -9.515 -12.734 6.689 883 HB2 ASP 104 HB3 ASP 104 -7.907 -12.089 8.395 884 HB3 ASP 104 HB2 ASP 104 -8.262 -10.385 8.124 885 H ALA 105 H ALA 105 -11.666 -12.201 6.875 886 HA ALA 105 HA ALA 105 -12.513 -10.140 5.063 887 HB1 ALA 105 HB1 ALA 105 -14.173 -11.986 6.777 888 HB2 ALA 105 HB2 ALA 105 -13.628 -12.317 5.133 889 HB3 ALA 105 HB3 ALA 105 -14.758 -10.999 5.437 890 H LYS 106 H LYS 106 -12.271 -10.406 8.541 891 HA LYS 106 HA LYS 106 -14.091 -8.218 9.016 892 HB2 LYS 106 HB3 LYS 106 -12.095 -9.530 10.874 893 HB3 LYS 106 HB2 LYS 106 -13.245 -8.293 11.355 894 HG2 LYS 106 HG3 LYS 106 -14.363 -10.171 12.003 895 HG3 LYS 106 HG2 LYS 106 -14.994 -9.981 10.367 896 HD2 LYS 106 HD3 LYS 106 -14.431 -12.263 10.570 897 HD3 LYS 106 HD2 LYS 106 -13.131 -11.535 9.622 898 HE2 LYS 106 HE3 LYS 106 -11.806 -11.325 11.718 899 HE3 LYS 106 HE2 LYS 106 -13.081 -12.203 12.563 900 HZ1 LYS 106 HZ1 LYS 106 -11.511 -13.814 12.021 901 HZ2 LYS 106 HZ2 LYS 106 -11.245 -13.186 10.464 902 HZ3 LYS 106 HZ3 LYS 106 -12.692 -13.995 10.819 903 H ASN 107 H ASN 107 -10.624 -8.702 8.762 904 HA ASN 107 HA ASN 107 -9.850 -6.051 9.328 905 HB2 ASN 107 HB3 ASN 107 -8.561 -8.174 7.608 906 HB3 ASN 107 HB2 ASN 107 -7.811 -6.614 7.939 907 HD21 ASN 107 HD22 ASN 107 -6.940 -9.305 8.635 908 HD22 ASN 107 HD21 ASN 107 -6.780 -9.328 10.357 909 H MET 108 H MET 108 -10.648 -7.657 6.250 910 HA MET 108 HA MET 108 -10.416 -5.368 4.633 911 HB2 MET 108 HB3 MET 108 -10.571 -7.588 3.660 912 HB3 MET 108 HB2 MET 108 -12.188 -7.798 4.317 913 HG2 MET 108 HG3 MET 108 -12.169 -7.281 1.908 914 HG3 MET 108 HG2 MET 108 -13.065 -6.105 2.865 915 HE1 MET 108 HE1 MET 108 -9.149 -6.417 2.536 916 HE2 MET 108 HE2 MET 108 -8.831 -5.336 1.176 917 HE3 MET 108 HE3 MET 108 -9.729 -6.837 0.925 918 H GLU 109 H GLU 109 -13.026 -6.550 6.665 919 HA GLU 109 HA GLU 109 -15.052 -4.807 5.803 920 HB2 GLU 109 HB3 GLU 109 -15.374 -6.784 7.299 921 HB3 GLU 109 HB2 GLU 109 -14.637 -5.864 8.604 922 HG2 GLU 109 HG3 GLU 109 -16.427 -4.191 8.401 923 HG3 GLU 109 HG2 GLU 109 -17.181 -5.180 7.151 924 H PHE 110 H PHE 110 -12.740 -4.480 8.509 925 HA PHE 110 HA PHE 110 -13.496 -1.845 9.197 926 HB2 PHE 110 HB3 PHE 110 -10.957 -3.403 9.675 927 HB3 PHE 110 HB2 PHE 110 -11.174 -1.757 10.258 928 HD1 PHE 110 HD2 PHE 110 -13.381 -1.368 11.629 929 HD2 PHE 110 HD1 PHE 110 -11.496 -5.137 11.073 930 HE1 PHE 110 HE2 PHE 110 -14.507 -2.222 13.642 931 HE2 PHE 110 HE1 PHE 110 -12.615 -6.002 13.087 932 HZ PHE 110 HZ PHE 110 -14.125 -4.542 14.375 933 H LEU 111 H LEU 111 -11.230 -3.141 6.876 934 HA LEU 111 HA LEU 111 -9.908 -0.727 6.247 935 HB2 LEU 111 HB3 LEU 111 -9.045 -2.971 5.709 936 HB3 LEU 111 HB2 LEU 111 -10.348 -3.195 4.561 937 HG LEU 111 HG LEU 111 -8.557 -0.858 4.139 938 HD11 LEU 111 HD11 LEU 111 -7.759 -3.701 3.528 939 HD12 LEU 111 HD12 LEU 111 -6.992 -2.647 4.717 940 HD13 LEU 111 HD13 LEU 111 -6.905 -2.251 3.000 941 HD21 LEU 111 HD21 LEU 111 -10.451 -1.305 2.654 942 HD22 LEU 111 HD22 LEU 111 -9.795 -2.903 2.300 943 HD23 LEU 111 HD23 LEU 111 -8.914 -1.458 1.804 944 H ARG 112 H ARG 112 -12.787 -2.309 4.923 945 HA ARG 112 HA ARG 112 -13.162 -0.299 2.908 946 HB2 ARG 112 HB3 ARG 112 -13.961 -2.701 2.754 947 HB3 ARG 112 HB2 ARG 112 -15.231 -2.262 3.891 948 HG2 ARG 112 HG3 ARG 112 -16.079 -0.602 2.339 949 HG3 ARG 112 HG2 ARG 112 -14.777 -0.974 1.209 950 HD2 ARG 112 HD3 ARG 112 -15.644 -3.325 1.135 951 HD3 ARG 112 HD2 ARG 112 -17.036 -2.769 2.069 952 HE ARG 112 HE ARG 112 -16.897 -1.057 -0.063 953 HH11 ARG 112 HH11 ARG 112 -17.330 -4.507 0.379 954 HH12 ARG 112 HH12 ARG 112 -18.078 -4.736 -1.180 955 HH21 ARG 112 HH22 ARG 112 -17.888 -1.345 -2.079 956 HH22 ARG 112 HH21 ARG 112 -18.392 -2.931 -2.577 957 H ASN 113 H ASN 113 -14.319 -0.896 6.149 958 HA ASN 113 HA ASN 113 -16.196 1.320 6.052 959 HB2 ASN 113 HB3 ASN 113 -15.397 -0.586 8.259 960 HB3 ASN 113 HB2 ASN 113 -16.518 0.749 8.502 961 HD21 ASN 113 HD22 ASN 113 -16.960 -2.111 8.768 962 HD22 ASN 113 HD21 ASN 113 -18.249 -2.504 7.688 963 H TRP 114 H TRP 114 -13.149 1.556 5.836 964 HA TRP 114 HA TRP 114 -12.279 2.958 8.140 965 HB2 TRP 114 HB3 TRP 114 -10.765 1.923 6.421 966 HB3 TRP 114 HB2 TRP 114 -11.207 3.227 5.323 967 HD1 TRP 114 HD1 TRP 114 -9.923 3.138 8.997 968 HE1 TRP 114 HE1 TRP 114 -8.048 4.886 9.220 969 HE3 TRP 114 HE3 TRP 114 -9.877 4.892 4.193 970 HZ2 TRP 114 HZ2 TRP 114 -6.718 6.754 7.573 971 HZ3 TRP 114 HZ3 TRP 114 -8.271 6.660 3.601 972 HH2 TRP 114 HH2 TRP 114 -6.726 7.570 5.257 973 H ASN 115 H ASN 115 -13.134 4.772 8.821 974 HA ASN 115 HA ASN 115 -14.571 6.526 7.020 975 HB2 ASN 115 HB3 ASN 115 -15.221 5.780 9.443 976 HB3 ASN 115 HB2 ASN 115 -14.136 7.071 9.942 977 HD21 ASN 115 HD22 ASN 115 -17.009 6.782 10.297 978 HD22 ASN 115 HD21 ASN 115 -17.721 8.184 9.584 979 H GLY 116 H GLY 116 -11.413 6.200 7.847 980 HA2 GLY 116 HA3 GLY 116 -9.728 7.663 7.048 981 HA3 GLY 116 HA2 GLY 116 -10.867 8.996 7.165 982 H THR 117 H THR 117 -11.228 7.308 9.937 983 HA THR 117 HA THR 117 -9.714 9.252 11.433 984 HB THR 117 HB THR 117 -11.909 8.711 12.267 985 HG1 THR 117 HG1 THR 117 -11.268 7.943 14.433 986 HG21 THR 117 HG21 THR 117 -10.933 5.868 12.560 987 HG22 THR 117 HG22 THR 117 -12.113 6.438 11.381 988 HG23 THR 117 HG23 THR 117 -12.493 6.488 13.102 989 H PHE 118 H PHE 118 -7.968 8.887 12.733 990 HA PHE 118 HA PHE 118 -6.227 6.780 11.924 991 HB2 PHE 118 HB3 PHE 118 -5.472 9.067 12.527 992 HB3 PHE 118 HB2 PHE 118 -5.892 8.736 14.203 993 HD1 PHE 118 HD2 PHE 118 -3.733 7.572 11.421 994 HD2 PHE 118 HD1 PHE 118 -4.339 7.748 15.630 995 HE1 PHE 118 HE2 PHE 118 -1.486 6.642 11.778 996 HE2 PHE 118 HE1 PHE 118 -2.089 6.821 15.995 997 HZ PHE 118 HZ PHE 118 -0.661 6.266 14.067 998 H GLY 119 H GLY 119 -8.444 7.209 14.559 999 HA2 GLY 119 HA3 GLY 119 -7.391 5.336 16.381 1000 HA3 GLY 119 HA2 GLY 119 -9.079 5.811 16.272 1001 H LEU 120 H LEU 120 -9.170 4.933 13.440 1002 HA LEU 120 HA LEU 120 -10.022 2.260 13.831 1003 HB2 LEU 120 HB3 LEU 120 -10.101 4.239 11.743 1004 HB3 LEU 120 HB2 LEU 120 -9.620 2.692 11.077 1005 HG LEU 120 HG LEU 120 -12.120 3.151 12.709 1006 HD11 LEU 120 HD11 LEU 120 -11.778 2.791 9.735 1007 HD12 LEU 120 HD12 LEU 120 -12.200 4.300 10.548 1008 HD13 LEU 120 HD13 LEU 120 -13.310 2.930 10.600 1009 HD21 LEU 120 HD21 LEU 120 -11.183 0.772 11.109 1010 HD22 LEU 120 HD22 LEU 120 -12.738 0.920 11.928 1011 HD23 LEU 120 HD23 LEU 120 -11.247 0.874 12.870 1012 H LEU 121 H LEU 121 -6.970 3.626 13.228 1013 HA LEU 121 HA LEU 121 -5.894 1.355 11.804 1014 HB2 LEU 121 HB3 LEU 121 -4.711 3.890 12.891 1015 HB3 LEU 121 HB2 LEU 121 -3.677 2.585 12.345 1016 HG LEU 121 HG LEU 121 -3.935 4.265 10.606 1017 HD11 LEU 121 HD11 LEU 121 -3.630 1.962 9.910 1018 HD12 LEU 121 HD12 LEU 121 -4.681 2.815 8.778 1019 HD13 LEU 121 HD13 LEU 121 -5.373 1.698 9.955 1020 HD21 LEU 121 HD21 LEU 121 -6.065 4.702 9.535 1021 HD22 LEU 121 HD22 LEU 121 -6.133 5.124 11.245 1022 HD23 LEU 121 HD23 LEU 121 -6.878 3.632 10.678 1023 H ASN 122 H ASN 122 -6.617 2.055 14.987 1024 HA ASN 122 HA ASN 122 -4.596 0.254 16.079 1025 HB2 ASN 122 HB3 ASN 122 -6.800 1.843 17.412 1026 HB3 ASN 122 HB2 ASN 122 -5.692 0.780 18.271 1027 HD21 ASN 122 HD22 ASN 122 -6.111 3.636 18.560 1028 HD22 ASN 122 HD21 ASN 122 -4.570 4.382 18.283 1029 H THR 123 H THR 123 -7.796 0.253 14.912 1030 HA THR 123 HA THR 123 -8.438 -2.279 16.227 1031 HB THR 123 HB THR 123 -10.701 -1.971 15.280 1032 HG1 THR 123 HG1 THR 123 -10.620 -0.775 13.498 1033 HG21 THR 123 HG21 THR 123 -9.713 0.547 16.631 1034 HG22 THR 123 HG22 THR 123 -10.102 -0.957 17.474 1035 HG23 THR 123 HG23 THR 123 -11.366 -0.071 16.622 1036 H LEU 124 H LEU 124 -7.802 -0.838 13.111 1037 HA LEU 124 HA LEU 124 -8.274 -3.148 11.518 1038 HB2 LEU 124 HB3 LEU 124 -7.752 -0.477 11.074 1039 HB3 LEU 124 HB2 LEU 124 -6.259 -1.239 10.570 1040 HG LEU 124 HG LEU 124 -9.007 -1.819 9.462 1041 HD11 LEU 124 HD11 LEU 124 -8.153 0.337 8.780 1042 HD12 LEU 124 HD12 LEU 124 -8.087 -0.793 7.427 1043 HD13 LEU 124 HD13 LEU 124 -6.615 -0.390 8.313 1044 HD21 LEU 124 HD21 LEU 124 -7.854 -3.212 7.828 1045 HD22 LEU 124 HD22 LEU 124 -7.581 -3.818 9.460 1046 HD23 LEU 124 HD23 LEU 124 -6.316 -2.909 8.634 1047 H ARG 125 H ARG 125 -6.960 -4.867 11.179 1048 HA ARG 125 HA ARG 125 -4.499 -5.016 12.670 1049 HB2 ARG 125 HB3 ARG 125 -5.822 -6.974 12.742 1050 HB3 ARG 125 HB2 ARG 125 -6.037 -6.991 10.999 1051 HG2 ARG 125 HG3 ARG 125 -3.739 -7.630 10.672 1052 HG3 ARG 125 HG2 ARG 125 -3.414 -7.468 12.400 1053 HD2 ARG 125 HD3 ARG 125 -4.510 -9.400 12.927 1054 HD3 ARG 125 HD2 ARG 125 -5.618 -9.273 11.563 1055 HE ARG 125 HE ARG 125 -3.729 -9.997 10.144 1056 HH11 ARG 125 HH11 ARG 125 -3.495 -10.599 13.585 1057 HH12 ARG 125 HH12 ARG 125 -2.606 -12.087 13.388 1058 HH21 ARG 125 HH22 ARG 125 -2.549 -11.911 9.874 1059 HH22 ARG 125 HH21 ARG 125 -2.053 -12.821 11.273 1060 H LEU 126 H LEU 126 -3.083 -3.620 11.709 1061 HA LEU 126 HA LEU 126 -2.193 -4.288 9.001 1062 HB2 LEU 126 HB3 LEU 126 -1.654 -1.969 10.831 1063 HB3 LEU 126 HB2 LEU 126 -0.561 -2.321 9.507 1064 HG LEU 126 HG LEU 126 -2.601 -2.163 7.983 1065 HD11 LEU 126 HD11 LEU 126 -3.766 -0.839 10.425 1066 HD12 LEU 126 HD12 LEU 126 -4.318 -2.348 9.698 1067 HD13 LEU 126 HD13 LEU 126 -4.468 -0.833 8.807 1068 HD21 LEU 126 HD21 LEU 126 -0.878 -0.453 8.075 1069 HD22 LEU 126 HD22 LEU 126 -1.671 0.293 9.462 1070 HD23 LEU 126 HD23 LEU 126 -2.472 0.278 7.890 1071 H ILE 127 H ILE 127 -0.335 -5.359 8.631 1072 HA ILE 127 HA ILE 127 1.230 -6.160 10.996 1073 HB ILE 127 HB ILE 127 1.457 -8.415 9.914 1074 HG12 ILE 127 HG13 ILE 127 -0.825 -7.389 8.206 1075 HG13 ILE 127 HG12 ILE 127 0.803 -7.744 7.639 1076 HG21 ILE 127 HG21 ILE 127 -0.734 -9.225 10.672 1077 HG22 ILE 127 HG22 ILE 127 -1.323 -7.563 10.718 1078 HG23 ILE 127 HG23 ILE 127 -0.030 -8.071 11.804 1079 HD11 ILE 127 HD11 ILE 127 0.483 -10.094 8.165 1080 HD12 ILE 127 HD12 ILE 127 -0.762 -9.511 7.062 1081 HD13 ILE 127 HD13 ILE 127 -1.138 -9.745 8.768 1082 H ARG 128 H ARG 128 3.147 -7.643 9.928 1083 HA ARG 128 HA ARG 128 4.556 -5.807 8.142 1084 HB2 ARG 128 HB3 ARG 128 5.556 -8.172 9.748 1085 HB3 ARG 128 HB2 ARG 128 6.564 -7.124 8.757 1086 HG2 ARG 128 HG3 ARG 128 4.930 -6.137 11.080 1087 HG3 ARG 128 HG2 ARG 128 6.611 -6.657 11.216 1088 HD2 ARG 128 HD3 ARG 128 5.700 -4.531 9.295 1089 HD3 ARG 128 HD2 ARG 128 6.228 -4.171 10.939 1090 HE ARG 128 HE ARG 128 7.961 -5.491 8.947 1091 HH11 ARG 128 HH11 ARG 128 7.442 -3.110 11.453 1092 HH12 ARG 128 HH12 ARG 128 9.091 -2.568 11.468 1093 HH21 ARG 128 HH22 ARG 128 10.123 -4.773 8.938 1094 HH22 ARG 128 HH21 ARG 128 10.613 -3.498 10.014 1095 H ILE 129 H ILE 129 4.613 -6.256 6.034 1096 HA ILE 129 HA ILE 129 4.384 -9.085 5.246 1097 HB ILE 129 HB ILE 129 3.404 -6.676 3.707 1098 HG12 ILE 129 HG13 ILE 129 1.958 -8.900 5.166 1099 HG13 ILE 129 HG12 ILE 129 1.955 -7.190 5.584 1100 HG21 ILE 129 HG21 ILE 129 4.265 -8.416 2.227 1101 HG22 ILE 129 HG22 ILE 129 2.509 -8.308 2.116 1102 HG23 ILE 129 HG23 ILE 129 3.255 -9.615 3.035 1103 HD11 ILE 129 HD11 ILE 129 -0.122 -7.822 4.530 1104 HD12 ILE 129 HD12 ILE 129 0.753 -8.424 3.121 1105 HD13 ILE 129 HD13 ILE 129 0.771 -6.702 3.499 1106 H ASN 130 H ASN 130 6.051 -9.904 4.238 1107 HA ASN 130 HA ASN 130 8.307 -8.132 3.704 1108 HB2 ASN 130 HB3 ASN 130 8.787 -9.991 5.145 1109 HB3 ASN 130 HB2 ASN 130 8.101 -11.130 3.990 1110 HD21 ASN 130 HD22 ASN 130 10.802 -9.056 4.710 1111 HD22 ASN 130 HD21 ASN 130 11.894 -9.752 3.562 1112 H ASP 131 H ASP 131 9.163 -7.752 1.812 1113 HA ASP 131 HA ASP 131 9.518 -7.661 -0.408 1114 HB2 ASP 131 HB3 ASP 131 10.575 -9.848 0.214 1115 HB3 ASP 131 HB2 ASP 131 9.108 -10.655 -0.318 1116 H LYS 132 H LYS 132 7.493 -10.455 -1.036 1117 HA LYS 132 HA LYS 132 5.527 -8.630 -2.226 1118 HB2 LYS 132 HB3 LYS 132 6.614 -11.156 -3.485 1119 HB3 LYS 132 HB2 LYS 132 5.350 -10.138 -4.158 1120 HG2 LYS 132 HG3 LYS 132 6.921 -8.312 -4.425 1121 HG3 LYS 132 HG2 LYS 132 8.194 -9.278 -3.672 1122 HD2 LYS 132 HD3 LYS 132 7.800 -10.977 -5.508 1123 HD3 LYS 132 HD2 LYS 132 6.814 -9.751 -6.304 1124 HE2 LYS 132 HE3 LYS 132 9.704 -9.398 -5.521 1125 HE3 LYS 132 HE2 LYS 132 9.149 -9.845 -7.132 1126 HZ1 LYS 132 HZ1 LYS 132 9.608 -7.489 -6.984 1127 HZ2 LYS 132 HZ2 LYS 132 8.501 -7.316 -5.713 1128 HZ3 LYS 132 HZ3 LYS 132 7.953 -7.742 -7.261 1129 H GLY 133 H GLY 133 4.377 -9.062 -0.241 1130 HA2 GLY 133 HA3 GLY 133 2.360 -9.863 0.527 1131 HA3 GLY 133 HA2 GLY 133 2.330 -10.971 -0.834 1132 H GLU 134 H GLU 134 5.094 -11.009 1.274 1133 HA GLU 134 HA GLU 134 4.269 -13.673 2.141 1134 HB2 GLU 134 HB3 GLU 134 6.526 -13.258 1.084 1135 HB3 GLU 134 HB2 GLU 134 6.961 -12.369 2.537 1136 HG2 GLU 134 HG3 GLU 134 6.842 -14.293 3.878 1137 HG3 GLU 134 HG2 GLU 134 6.003 -15.209 2.627 1138 H GLN 135 H GLN 135 3.821 -14.191 4.179 1139 HA GLN 135 HA GLN 135 3.016 -12.137 5.943 1140 HB2 GLN 135 HB3 GLN 135 1.848 -14.270 5.790 1141 HB3 GLN 135 HB2 GLN 135 3.276 -15.118 6.366 1142 HG2 GLN 135 HG3 GLN 135 1.666 -14.922 8.139 1143 HG3 GLN 135 HG2 GLN 135 3.084 -13.944 8.513 1144 HE21 GLN 135 HE22 GLN 135 1.985 -12.606 9.909 1145 HE22 GLN 135 HE21 GLN 135 0.826 -11.445 9.371 1146 H VAL 136 H VAL 136 4.060 -11.129 7.546 1147 HA VAL 136 HA VAL 136 6.349 -12.495 8.809 1148 HB VAL 136 HB VAL 136 6.064 -9.494 8.626 1149 HG11 VAL 136 HG11 VAL 136 8.410 -9.495 9.330 1150 HG12 VAL 136 HG12 VAL 136 8.374 -11.256 9.428 1151 HG13 VAL 136 HG13 VAL 136 7.369 -10.292 10.510 1152 HG21 VAL 136 HG21 VAL 136 7.818 -11.264 6.934 1153 HG22 VAL 136 HG22 VAL 136 7.807 -9.500 6.939 1154 HG23 VAL 136 HG23 VAL 136 6.390 -10.390 6.379 1155 H VAL 137 H VAL 137 5.298 -13.310 10.572 1156 HA VAL 137 HA VAL 137 3.697 -11.543 12.237 1157 HB VAL 137 HB VAL 137 4.606 -14.378 12.790 1158 HG11 VAL 137 HG11 VAL 137 2.472 -12.704 14.110 1159 HG12 VAL 137 HG12 VAL 137 4.031 -13.140 14.813 1160 HG13 VAL 137 HG13 VAL 137 2.836 -14.392 14.472 1161 HG21 VAL 137 HG21 VAL 137 3.198 -14.293 10.808 1162 HG22 VAL 137 HG22 VAL 137 1.986 -13.366 11.690 1163 HG23 VAL 137 HG23 VAL 137 2.328 -15.032 12.152 1164 H GLY 138 H GLY 138 6.710 -13.374 12.468 1165 HA2 GLY 138 HA3 GLY 138 8.745 -12.698 13.327 1166 HA3 GLY 138 HA2 GLY 138 8.008 -11.173 13.787 1167 H GLY 139 H GLY 139 6.111 -11.759 15.543 1168 HA2 GLY 139 HA3 GLY 139 5.751 -12.346 17.746 1169 HA3 GLY 139 HA2 GLY 139 6.962 -13.610 17.555 1170 H ASN 140 H ASN 140 7.073 -10.083 17.258 1171 HA ASN 140 HA ASN 140 9.258 -10.048 19.220 1172 HB2 ASN 140 HB3 ASN 140 10.351 -10.094 17.075 1173 HB3 ASN 140 HB2 ASN 140 9.293 -8.835 16.450 1174 HD21 ASN 140 HD22 ASN 140 11.968 -9.543 18.564 1175 HD22 ASN 140 HD21 ASN 140 12.533 -7.914 18.712 1176 H GLU 141 H GLU 141 8.789 -8.687 20.766 1177 HA GLU 141 HA GLU 141 8.044 -5.971 20.110 1178 HB2 GLU 141 HB3 GLU 141 5.857 -7.124 20.532 1179 HB3 GLU 141 HB2 GLU 141 6.431 -7.533 22.145 1180 HG2 GLU 141 HG3 GLU 141 6.765 -5.038 22.490 1181 HG3 GLU 141 HG2 GLU 141 5.819 -4.820 21.018 Start of MODEL 4 1 H MET 1 H MET 1 -1.647 30.418 17.643 2 HA MET 1 HA MET 1 -2.569 33.124 18.419 3 HB2 MET 1 HB3 MET 1 0.123 31.810 18.865 4 HB3 MET 1 HB2 MET 1 -0.346 33.428 19.368 5 HG2 MET 1 HG3 MET 1 -1.962 32.499 20.918 6 HG3 MET 1 HG2 MET 1 -1.555 30.869 20.386 7 HE1 MET 1 HE1 MET 1 2.220 30.647 21.570 8 HE2 MET 1 HE2 MET 1 1.634 31.222 20.009 9 HE3 MET 1 HE3 MET 1 0.914 29.790 20.747 10 H ARG 2 H ARG 2 0.572 32.087 17.269 11 HA ARG 2 HA ARG 2 0.157 33.609 14.802 12 HB2 ARG 2 HB3 ARG 2 2.175 34.089 16.160 13 HB3 ARG 2 HB2 ARG 2 2.693 32.423 15.952 14 HG2 ARG 2 HG3 ARG 2 2.845 32.786 13.531 15 HG3 ARG 2 HG2 ARG 2 2.372 34.470 13.768 16 HD2 ARG 2 HD3 ARG 2 4.347 34.821 15.168 17 HD3 ARG 2 HD2 ARG 2 4.818 33.140 14.927 18 HE ARG 2 HE ARG 2 4.482 34.549 12.461 19 HH11 ARG 2 HH11 ARG 2 6.707 33.990 15.111 20 HH12 ARG 2 HH12 ARG 2 8.126 34.328 14.159 21 HH21 ARG 2 HH22 ARG 2 6.342 34.989 11.208 22 HH22 ARG 2 HH21 ARG 2 7.917 34.866 11.930 23 H GLU 3 H GLU 3 0.432 30.441 16.063 24 HA GLU 3 HA GLU 3 0.572 29.299 13.361 25 HB2 GLU 3 HB3 GLU 3 2.272 28.584 15.087 26 HB3 GLU 3 HB2 GLU 3 0.951 27.875 16.003 27 HG2 GLU 3 HG3 GLU 3 0.531 26.263 14.328 28 HG3 GLU 3 HG2 GLU 3 1.564 27.098 13.168 29 H ASP 4 H ASP 4 -0.975 27.698 12.774 30 HA ASP 4 HA ASP 4 -3.585 28.408 13.783 31 HB2 ASP 4 HB3 ASP 4 -4.458 27.224 11.876 32 HB3 ASP 4 HB2 ASP 4 -3.089 28.195 11.345 33 H LYS 5 H LYS 5 -1.368 26.109 14.687 34 HA LYS 5 HA LYS 5 -3.490 24.276 15.586 35 HB2 LYS 5 HB3 LYS 5 -0.693 23.535 14.708 36 HB3 LYS 5 HB2 LYS 5 -1.891 22.417 15.350 37 HG2 LYS 5 HG3 LYS 5 -3.337 22.842 13.442 38 HG3 LYS 5 HG2 LYS 5 -2.174 24.009 12.807 39 HD2 LYS 5 HD3 LYS 5 -0.501 22.205 12.642 40 HD3 LYS 5 HD2 LYS 5 -1.712 21.054 13.212 41 HE2 LYS 5 HE3 LYS 5 -1.540 20.961 10.793 42 HE3 LYS 5 HE2 LYS 5 -3.117 21.590 11.267 43 HZ1 LYS 5 HZ1 LYS 5 -0.816 23.285 10.447 44 HZ2 LYS 5 HZ2 LYS 5 -2.401 23.805 10.758 45 HZ3 LYS 5 HZ3 LYS 5 -2.073 22.820 9.416 46 H ILE 6 H ILE 6 -3.142 23.218 17.591 47 HA ILE 6 HA ILE 6 -1.312 24.664 19.379 48 HB ILE 6 HB ILE 6 -3.650 22.866 20.068 49 HG12 ILE 6 HG13 ILE 6 -3.406 25.880 20.185 50 HG13 ILE 6 HG12 ILE 6 -4.334 24.977 18.992 51 HG21 ILE 6 HG21 ILE 6 -3.378 23.745 22.346 52 HG22 ILE 6 HG22 ILE 6 -1.934 24.613 21.828 53 HG23 ILE 6 HG23 ILE 6 -1.958 22.849 21.809 54 HD11 ILE 6 HD11 ILE 6 -5.799 24.147 20.744 55 HD12 ILE 6 HD12 ILE 6 -5.756 25.909 20.734 56 HD13 ILE 6 HD13 ILE 6 -4.855 25.013 21.956 57 H ALA 7 H ALA 7 0.307 23.626 20.431 58 HA ALA 7 HA ALA 7 1.022 20.979 19.536 59 HB1 ALA 7 HB1 ALA 7 3.063 21.320 20.820 60 HB2 ALA 7 HB2 ALA 7 2.381 22.777 21.541 61 HB3 ALA 7 HB3 ALA 7 2.720 22.728 19.812 62 H ALA 8 H ALA 8 0.800 19.110 20.628 63 HA ALA 8 HA ALA 8 -0.821 19.017 22.975 64 HB1 ALA 8 HB1 ALA 8 -0.911 17.249 21.289 65 HB2 ALA 8 HB2 ALA 8 -0.471 16.598 22.867 66 HB3 ALA 8 HB3 ALA 8 0.766 16.827 21.633 67 H LYS 9 H LYS 9 -0.192 18.138 25.034 68 HA LYS 9 HA LYS 9 2.437 19.103 25.810 69 HB2 LYS 9 HB3 LYS 9 0.097 18.094 27.432 70 HB3 LYS 9 HB2 LYS 9 1.618 18.631 28.136 71 HG2 LYS 9 HG3 LYS 9 1.290 20.849 27.178 72 HG3 LYS 9 HG2 LYS 9 -0.230 20.316 26.460 73 HD2 LYS 9 HD3 LYS 9 -1.168 19.923 28.657 74 HD3 LYS 9 HD2 LYS 9 0.372 20.334 29.414 75 HE2 LYS 9 HE3 LYS 9 0.207 22.604 28.596 76 HE3 LYS 9 HE2 LYS 9 -1.273 22.212 27.725 77 HZ1 LYS 9 HZ1 LYS 9 -1.556 23.367 29.913 78 HZ2 LYS 9 HZ2 LYS 9 -1.023 21.950 30.670 79 HZ3 LYS 9 HZ3 LYS 9 -2.443 21.934 29.736 80 H LYS 10 H LYS 10 1.271 16.277 24.668 81 HA LYS 10 HA LYS 10 3.557 14.842 25.800 82 HB2 LYS 10 HB3 LYS 10 0.755 13.776 25.442 83 HB3 LYS 10 HB2 LYS 10 2.154 12.724 25.603 84 HG2 LYS 10 HG3 LYS 10 1.255 14.757 27.634 85 HG3 LYS 10 HG2 LYS 10 0.980 13.015 27.725 86 HD2 LYS 10 HD3 LYS 10 3.344 12.593 27.861 87 HD3 LYS 10 HD2 LYS 10 3.708 14.296 27.571 88 HE2 LYS 10 HE3 LYS 10 2.214 13.215 29.959 89 HE3 LYS 10 HE2 LYS 10 3.920 13.660 29.946 90 HZ1 LYS 10 HZ1 LYS 10 3.286 15.933 29.409 91 HZ2 LYS 10 HZ2 LYS 10 2.555 15.429 30.854 92 HZ3 LYS 10 HZ3 LYS 10 1.644 15.501 29.429 93 H LYS 11 H LYS 11 4.840 13.978 24.299 94 HA LYS 11 HA LYS 11 3.922 14.183 21.512 95 HB2 LYS 11 HB3 LYS 11 5.768 15.703 22.180 96 HB3 LYS 11 HB2 LYS 11 6.744 14.298 22.589 97 HG2 LYS 11 HG3 LYS 11 6.452 13.563 20.188 98 HG3 LYS 11 HG2 LYS 11 5.789 15.170 19.880 99 HD2 LYS 11 HD3 LYS 11 7.873 16.161 20.752 100 HD3 LYS 11 HD2 LYS 11 8.530 14.537 20.967 101 HE2 LYS 11 HE3 LYS 11 8.113 14.182 18.502 102 HE3 LYS 11 HE2 LYS 11 7.790 15.913 18.396 103 HZ1 LYS 11 HZ1 LYS 11 10.058 15.516 17.832 104 HZ2 LYS 11 HZ2 LYS 11 10.320 14.618 19.248 105 HZ3 LYS 11 HZ3 LYS 11 10.030 16.287 19.342 106 H LEU 12 H LEU 12 3.470 12.274 20.660 107 HA LEU 12 HA LEU 12 4.629 9.836 21.660 108 HB2 LEU 12 HB3 LEU 12 2.829 10.319 19.280 109 HB3 LEU 12 HB2 LEU 12 3.257 8.746 19.927 110 HG LEU 12 HG LEU 12 1.668 10.863 21.384 111 HD11 LEU 12 HD11 LEU 12 0.808 8.255 20.143 112 HD12 LEU 12 HD12 LEU 12 0.421 9.868 19.546 113 HD13 LEU 12 HD13 LEU 12 -0.211 9.328 21.102 114 HD21 LEU 12 HD21 LEU 12 2.989 9.502 22.913 115 HD22 LEU 12 HD22 LEU 12 2.362 8.032 22.167 116 HD23 LEU 12 HD23 LEU 12 1.276 9.108 23.046 117 H HIS 13 H HIS 13 5.854 8.348 20.390 118 HA HIS 13 HA HIS 13 7.910 9.617 18.871 119 HB2 HIS 13 HB3 HIS 13 7.310 6.694 19.353 120 HB3 HIS 13 HB2 HIS 13 8.740 7.278 18.507 121 HD1 HIS 13 HD1 HIS 13 7.938 6.018 21.643 122 HD2 HIS 13 HD2 HIS 13 9.997 9.414 20.404 123 HE1 HIS 13 HE1 HIS 13 9.357 6.705 23.603 124 HE2 HIS 13 HE2 HIS 13 10.399 8.891 22.902 125 H GLN 14 H GLN 14 4.932 8.079 18.069 126 HA GLN 14 HA GLN 14 5.644 8.080 15.226 127 HB2 GLN 14 HB3 GLN 14 3.249 6.888 16.636 128 HB3 GLN 14 HB2 GLN 14 3.541 6.811 14.905 129 HG2 GLN 14 HG3 GLN 14 5.615 5.555 15.339 130 HG3 GLN 14 HG2 GLN 14 5.243 5.584 17.062 131 HE21 GLN 14 HE22 GLN 14 5.564 3.323 15.244 132 HE22 GLN 14 HE21 GLN 14 4.082 2.429 15.338 133 H ASP 15 H ASP 15 4.983 9.690 13.978 134 HA ASP 15 HA ASP 15 3.154 11.674 15.053 135 HB2 ASP 15 HB3 ASP 15 3.786 13.006 13.069 136 HB3 ASP 15 HB2 ASP 15 5.196 12.476 13.979 137 H LYS 16 H LYS 16 1.636 12.661 13.263 138 HA LYS 16 HA LYS 16 -0.228 10.569 12.647 139 HB2 LYS 16 HB3 LYS 16 -0.329 13.488 11.861 140 HB3 LYS 16 HB2 LYS 16 -1.672 12.355 11.837 141 HG2 LYS 16 HG3 LYS 16 -1.565 12.148 14.257 142 HG3 LYS 16 HG2 LYS 16 -0.186 13.247 14.298 143 HD2 LYS 16 HD3 LYS 16 -1.626 14.989 13.253 144 HD3 LYS 16 HD2 LYS 16 -2.997 13.890 13.418 145 HE2 LYS 16 HE3 LYS 16 -2.683 13.851 15.837 146 HE3 LYS 16 HE2 LYS 16 -1.294 14.926 15.681 147 HZ1 LYS 16 HZ1 LYS 16 -3.232 16.177 16.309 148 HZ2 LYS 16 HZ2 LYS 16 -4.111 15.574 14.986 149 HZ3 LYS 16 HZ3 LYS 16 -2.787 16.607 14.732 150 H ARG 17 H ARG 17 0.619 9.235 11.123 151 HA ARG 17 HA ARG 17 1.721 10.415 8.695 152 HB2 ARG 17 HB3 ARG 17 1.863 7.624 9.825 153 HB3 ARG 17 HB2 ARG 17 2.510 8.069 8.251 154 HG2 ARG 17 HG3 ARG 17 4.001 9.685 9.330 155 HG3 ARG 17 HG2 ARG 17 3.361 9.211 10.904 156 HD2 ARG 17 HD3 ARG 17 5.528 8.137 10.331 157 HD3 ARG 17 HD2 ARG 17 4.226 6.993 10.660 158 HE ARG 17 HE ARG 17 4.012 6.711 8.227 159 HH11 ARG 17 HH11 ARG 17 7.011 8.078 9.472 160 HH12 ARG 17 HH12 ARG 17 7.953 7.549 8.103 161 HH21 ARG 17 HH22 ARG 17 5.238 6.027 6.465 162 HH22 ARG 17 HH21 ARG 17 6.949 6.371 6.397 163 H VAL 18 H VAL 18 0.126 10.909 7.332 164 HA VAL 18 HA VAL 18 -2.027 9.075 6.745 165 HB VAL 18 HB VAL 18 -1.191 11.548 5.206 166 HG11 VAL 18 HG11 VAL 18 -2.673 10.090 3.940 167 HG12 VAL 18 HG12 VAL 18 -3.520 11.560 4.423 168 HG13 VAL 18 HG13 VAL 18 -3.810 10.051 5.287 169 HG21 VAL 18 HG21 VAL 18 -2.929 12.724 6.481 170 HG22 VAL 18 HG22 VAL 18 -1.631 12.131 7.519 171 HG23 VAL 18 HG23 VAL 18 -3.174 11.277 7.459 172 H HIS 19 H HIS 19 1.190 9.382 5.953 173 HA HIS 19 HA HIS 19 1.471 8.623 3.313 174 HB2 HIS 19 HB3 HIS 19 3.199 9.114 5.252 175 HB3 HIS 19 HB2 HIS 19 3.187 7.365 5.419 176 HD1 HIS 19 HD1 HIS 19 5.275 9.701 4.122 177 HD2 HIS 19 HD2 HIS 19 3.483 6.370 2.394 178 HE1 HIS 19 HE1 HIS 19 6.715 9.102 2.150 179 HE2 HIS 19 HE2 HIS 19 5.769 6.928 1.300 180 H GLU 20 H GLU 20 0.948 6.580 6.169 181 HA GLU 20 HA GLU 20 0.727 4.200 4.529 182 HB2 GLU 20 HB3 GLU 20 0.512 4.682 7.496 183 HB3 GLU 20 HB2 GLU 20 0.168 3.120 6.772 184 HG2 GLU 20 HG3 GLU 20 2.415 3.155 7.645 185 HG3 GLU 20 HG2 GLU 20 2.453 3.034 5.888 186 H LEU 21 H LEU 21 -1.364 6.459 6.199 187 HA LEU 21 HA LEU 21 -3.756 5.024 6.181 188 HB2 LEU 21 HB3 LEU 21 -3.248 7.982 5.928 189 HB3 LEU 21 HB2 LEU 21 -4.856 7.300 6.070 190 HG LEU 21 HG LEU 21 -2.680 7.000 8.141 191 HD11 LEU 21 HD11 LEU 21 -5.090 8.811 8.074 192 HD12 LEU 21 HD12 LEU 21 -3.402 9.314 7.972 193 HD13 LEU 21 HD13 LEU 21 -4.016 8.583 9.454 194 HD21 LEU 21 HD21 LEU 21 -4.308 5.166 8.113 195 HD22 LEU 21 HD22 LEU 21 -5.620 6.337 8.231 196 HD23 LEU 21 HD23 LEU 21 -4.473 6.163 9.560 197 H ALA 22 H ALA 22 -2.326 7.095 3.713 198 HA ALA 22 HA ALA 22 -4.384 7.014 1.830 199 HB1 ALA 22 HB1 ALA 22 -2.697 7.631 0.185 200 HB2 ALA 22 HB2 ALA 22 -1.418 7.171 1.308 201 HB3 ALA 22 HB3 ALA 22 -2.474 8.534 1.685 202 H ARG 23 H ARG 23 -1.936 4.631 2.594 203 HA ARG 23 HA ARG 23 -2.339 3.058 0.236 204 HB2 ARG 23 HB3 ARG 23 -1.061 2.368 2.890 205 HB3 ARG 23 HB2 ARG 23 -1.043 1.324 1.474 206 HG2 ARG 23 HG3 ARG 23 0.212 2.992 0.232 207 HG3 ARG 23 HG2 ARG 23 0.155 4.085 1.616 208 HD2 ARG 23 HD3 ARG 23 1.411 2.470 2.946 209 HD3 ARG 23 HD2 ARG 23 1.453 1.364 1.575 210 HE ARG 23 HE ARG 23 2.841 3.020 0.420 211 HH11 ARG 23 HH11 ARG 23 2.458 3.374 3.867 212 HH12 ARG 23 HH12 ARG 23 3.985 4.158 4.106 213 HH21 ARG 23 HH22 ARG 23 4.883 4.056 0.703 214 HH22 ARG 23 HH21 ARG 23 5.375 4.529 2.310 215 H VAL 24 H VAL 24 -3.544 2.979 3.556 216 HA VAL 24 HA VAL 24 -5.153 0.659 3.247 217 HB VAL 24 HB VAL 24 -5.496 2.995 5.149 218 HG11 VAL 24 HG11 VAL 24 -6.712 0.234 5.214 219 HG12 VAL 24 HG12 VAL 24 -7.570 1.754 4.950 220 HG13 VAL 24 HG13 VAL 24 -6.818 1.424 6.511 221 HG21 VAL 24 HG21 VAL 24 -4.392 1.558 6.786 222 HG22 VAL 24 HG22 VAL 24 -3.344 1.862 5.400 223 HG23 VAL 24 HG23 VAL 24 -4.176 0.314 5.555 224 H LYS 25 H LYS 25 -5.680 4.106 2.767 225 HA LYS 25 HA LYS 25 -8.384 4.104 2.114 226 HB2 LYS 25 HB3 LYS 25 -7.081 6.152 2.411 227 HB3 LYS 25 HB2 LYS 25 -6.160 5.796 0.956 228 HG2 LYS 25 HG3 LYS 25 -8.260 5.958 -0.352 229 HG3 LYS 25 HG2 LYS 25 -9.094 6.446 1.124 230 HD2 LYS 25 HD3 LYS 25 -7.684 8.402 1.321 231 HD3 LYS 25 HD2 LYS 25 -6.744 7.901 -0.085 232 HE2 LYS 25 HE3 LYS 25 -9.669 8.634 -0.068 233 HE3 LYS 25 HE2 LYS 25 -8.354 9.639 -0.672 234 HZ1 LYS 25 HZ1 LYS 25 -9.343 8.593 -2.527 235 HZ2 LYS 25 HZ2 LYS 25 -9.324 7.065 -1.786 236 HZ3 LYS 25 HZ3 LYS 25 -7.871 7.790 -2.266 237 H PHE 26 H PHE 26 -5.551 3.595 0.033 238 HA PHE 26 HA PHE 26 -6.887 3.260 -2.389 239 HB2 PHE 26 HB3 PHE 26 -4.499 3.481 -2.398 240 HB3 PHE 26 HB2 PHE 26 -4.302 2.050 -1.391 241 HD1 PHE 26 HD1 PHE 26 -5.570 3.127 -4.724 242 HD2 PHE 26 HD2 PHE 26 -3.918 -0.013 -2.370 243 HE1 PHE 26 HE1 PHE 26 -5.371 1.724 -6.736 244 HE2 PHE 26 HE2 PHE 26 -3.714 -1.415 -4.379 245 HZ PHE 26 HZ PHE 26 -4.446 -0.553 -6.566 246 H MET 27 H MET 27 -6.193 0.915 0.169 247 HA MET 27 HA MET 27 -7.174 -1.331 -1.256 248 HB2 MET 27 HB3 MET 27 -6.727 -0.841 1.678 249 HB3 MET 27 HB2 MET 27 -7.314 -2.376 1.047 250 HG2 MET 27 HG3 MET 27 -5.295 -2.531 -0.359 251 HG3 MET 27 HG2 MET 27 -4.702 -1.042 0.374 252 HE1 MET 27 HE1 MET 27 -2.436 -3.920 1.848 253 HE2 MET 27 HE2 MET 27 -2.453 -2.433 0.899 254 HE3 MET 27 HE3 MET 27 -3.179 -3.904 0.249 255 H GLN 28 H GLN 28 -8.702 0.854 1.108 256 HA GLN 28 HA GLN 28 -11.213 -0.432 1.124 257 HB2 GLN 28 HB3 GLN 28 -10.349 1.450 2.658 258 HB3 GLN 28 HB2 GLN 28 -10.857 2.542 1.376 259 HG2 GLN 28 HG3 GLN 28 -12.865 0.592 2.268 260 HG3 GLN 28 HG2 GLN 28 -12.418 1.837 3.434 261 HE21 GLN 28 HE22 GLN 28 -14.942 1.459 2.150 262 HE22 GLN 28 HE21 GLN 28 -15.273 2.896 1.237 263 H ASP 29 H ASP 29 -9.876 2.150 -0.873 264 HA ASP 29 HA ASP 29 -12.142 2.656 -2.429 265 HB2 ASP 29 HB3 ASP 29 -9.204 3.012 -2.952 266 HB3 ASP 29 HB2 ASP 29 -10.391 3.359 -4.203 267 H VAL 30 H VAL 30 -9.404 0.435 -3.064 268 HA VAL 30 HA VAL 30 -10.370 -0.336 -5.599 269 HB VAL 30 HB VAL 30 -8.009 -0.611 -4.892 270 HG11 VAL 30 HG11 VAL 30 -7.342 -2.591 -3.625 271 HG12 VAL 30 HG12 VAL 30 -9.039 -2.973 -3.334 272 HG13 VAL 30 HG13 VAL 30 -8.339 -1.501 -2.659 273 HG21 VAL 30 HG21 VAL 30 -7.640 -2.742 -6.043 274 HG22 VAL 30 HG22 VAL 30 -8.830 -1.737 -6.872 275 HG23 VAL 30 HG23 VAL 30 -9.360 -3.109 -5.897 276 H VAL 31 H VAL 31 -10.948 -1.682 -2.381 277 HA VAL 31 HA VAL 31 -12.298 -4.025 -3.187 278 HB VAL 31 HB VAL 31 -12.706 -2.338 -0.702 279 HG11 VAL 31 HG11 VAL 31 -13.658 -5.143 -1.280 280 HG12 VAL 31 HG12 VAL 31 -14.676 -3.712 -1.122 281 HG13 VAL 31 HG13 VAL 31 -13.778 -4.313 0.272 282 HG21 VAL 31 HG21 VAL 31 -11.340 -4.026 0.405 283 HG22 VAL 31 HG22 VAL 31 -10.456 -3.269 -0.920 284 HG23 VAL 31 HG23 VAL 31 -11.140 -4.881 -1.126 285 H ASN 32 H ASN 32 -13.340 -0.701 -2.747 286 HA ASN 32 HA ASN 32 -16.070 -1.392 -3.525 287 HB2 ASN 32 HB3 ASN 32 -14.774 0.973 -2.226 288 HB3 ASN 32 HB2 ASN 32 -16.304 1.202 -3.083 289 HD21 ASN 32 HD22 ASN 32 -15.706 1.431 -0.243 290 HD22 ASN 32 HD21 ASN 32 -16.757 0.314 0.556 291 H SER 33 H SER 33 -13.398 -0.916 -5.196 292 HA SER 33 HA SER 33 -14.514 0.925 -7.189 293 HB2 SER 33 HB3 SER 33 -12.239 1.402 -6.383 294 HB3 SER 33 HB2 SER 33 -11.718 -0.205 -6.878 295 HG SER 33 HG SER 33 -11.131 1.158 -8.495 296 H ASP 34 H ASP 34 -14.818 0.323 -9.312 297 HA ASP 34 HA ASP 34 -15.688 -2.317 -9.770 298 HB2 ASP 34 HB3 ASP 34 -14.983 -0.240 -11.856 299 HB3 ASP 34 HB2 ASP 34 -16.001 -1.652 -12.099 300 H THR 35 H THR 35 -12.587 -0.946 -9.945 301 HA THR 35 HA THR 35 -11.365 -2.480 -11.931 302 HB THR 35 HB THR 35 -10.168 -1.393 -9.373 303 HG1 THR 35 HG1 THR 35 -11.232 0.058 -11.054 304 HG21 THR 35 HG21 THR 35 -8.803 -2.216 -11.942 305 HG22 THR 35 HG22 THR 35 -8.739 -3.105 -10.419 306 HG23 THR 35 HG23 THR 35 -8.025 -1.497 -10.532 307 H PHE 36 H PHE 36 -12.045 -3.238 -8.532 308 HA PHE 36 HA PHE 36 -11.548 -6.052 -9.141 309 HB2 PHE 36 HB3 PHE 36 -10.134 -4.493 -7.003 310 HB3 PHE 36 HB2 PHE 36 -10.428 -6.215 -6.802 311 HD1 PHE 36 HD1 PHE 36 -9.588 -7.763 -8.671 312 HD2 PHE 36 HD2 PHE 36 -8.266 -3.751 -8.160 313 HE1 PHE 36 HE1 PHE 36 -7.565 -8.269 -9.976 314 HE2 PHE 36 HE2 PHE 36 -6.243 -4.248 -9.467 315 HZ PHE 36 HZ PHE 36 -5.890 -6.509 -10.377 316 H LYS 37 H LYS 37 -13.891 -4.307 -8.601 317 HA LYS 37 HA LYS 37 -14.894 -4.768 -6.004 318 HB2 LYS 37 HB3 LYS 37 -15.683 -3.038 -7.680 319 HB3 LYS 37 HB2 LYS 37 -16.536 -4.336 -8.503 320 HG2 LYS 37 HG3 LYS 37 -17.930 -4.709 -6.581 321 HG3 LYS 37 HG2 LYS 37 -17.001 -3.542 -5.636 322 HD2 LYS 37 HD3 LYS 37 -17.670 -1.770 -7.213 323 HD3 LYS 37 HD2 LYS 37 -18.638 -2.946 -8.101 324 HE2 LYS 37 HE3 LYS 37 -19.042 -2.158 -5.217 325 HE3 LYS 37 HE2 LYS 37 -20.000 -1.580 -6.578 326 HZ1 LYS 37 HZ1 LYS 37 -21.176 -3.341 -5.526 327 HZ2 LYS 37 HZ2 LYS 37 -19.824 -4.368 -5.567 328 HZ3 LYS 37 HZ3 LYS 37 -20.605 -3.931 -7.011 329 H GLY 38 H GLY 38 -14.795 -6.706 -8.869 330 HA2 GLY 38 HA3 GLY 38 -16.850 -8.547 -8.193 331 HA3 GLY 38 HA2 GLY 38 -15.543 -8.829 -9.332 332 H GLN 39 H GLN 39 -13.687 -8.106 -6.937 333 HA GLN 39 HA GLN 39 -13.750 -10.810 -5.770 334 HB2 GLN 39 HB3 GLN 39 -11.421 -8.956 -6.283 335 HB3 GLN 39 HB2 GLN 39 -11.299 -10.410 -5.301 336 HG2 GLN 39 HG3 GLN 39 -11.997 -11.751 -7.239 337 HG3 GLN 39 HG2 GLN 39 -12.040 -10.283 -8.215 338 HE21 GLN 39 HE22 GLN 39 -10.431 -12.701 -8.518 339 HE22 GLN 39 HE21 GLN 39 -8.784 -12.177 -8.517 340 HA PRO 40 HA PRO 40 -14.876 -8.424 -2.115 341 HB2 PRO 40 HB2 PRO 40 -15.069 -11.118 -0.930 342 HB3 PRO 40 HB3 PRO 40 -16.301 -9.859 -1.056 343 HG2 PRO 40 HG3 PRO 40 -16.419 -12.085 -2.545 344 HG3 PRO 40 HG2 PRO 40 -16.941 -10.513 -3.181 345 HD2 PRO 40 HD3 PRO 40 -14.379 -11.993 -3.653 346 HD3 PRO 40 HD2 PRO 40 -15.392 -11.099 -4.808 347 H ILE 41 H ILE 41 -12.601 -11.117 -2.266 348 HA ILE 41 HA ILE 41 -11.058 -9.871 -0.086 349 HB ILE 41 HB ILE 41 -11.158 -12.835 -0.683 350 HG12 ILE 41 HG13 ILE 41 -13.322 -12.085 0.197 351 HG13 ILE 41 HG12 ILE 41 -12.467 -13.061 1.386 352 HG21 ILE 41 HG21 ILE 41 -9.995 -11.325 1.653 353 HG22 ILE 41 HG22 ILE 41 -9.071 -12.011 0.317 354 HG23 ILE 41 HG23 ILE 41 -9.959 -13.074 1.413 355 HD11 ILE 41 HD11 ILE 41 -12.671 -10.059 1.368 356 HD12 ILE 41 HD12 ILE 41 -11.783 -11.020 2.551 357 HD13 ILE 41 HD13 ILE 41 -13.537 -11.164 2.436 358 H PHE 42 H PHE 42 -8.804 -9.886 -0.316 359 HA PHE 42 HA PHE 42 -7.899 -10.358 -3.061 360 HB2 PHE 42 HB3 PHE 42 -6.848 -8.533 -0.897 361 HB3 PHE 42 HB2 PHE 42 -5.983 -8.837 -2.399 362 HD1 PHE 42 HD2 PHE 42 -7.645 -8.643 -4.540 363 HD2 PHE 42 HD1 PHE 42 -8.039 -6.580 -0.840 364 HE1 PHE 42 HE2 PHE 42 -8.963 -6.896 -5.662 365 HE2 PHE 42 HE1 PHE 42 -9.360 -4.831 -1.955 366 HZ PHE 42 HZ PHE 42 -9.824 -4.988 -4.369 367 H ASP 43 H ASP 43 -5.126 -10.375 -2.474 368 HA ASP 43 HA ASP 43 -4.838 -12.967 -1.132 369 HB2 ASP 43 HB3 ASP 43 -3.619 -12.273 -3.815 370 HB3 ASP 43 HB2 ASP 43 -3.503 -13.814 -2.975 371 H HIS 44 H HIS 44 -2.457 -13.520 -0.872 372 HA HIS 44 HA HIS 44 -1.087 -11.313 0.317 373 HB2 HIS 44 HB3 HIS 44 -0.246 -14.158 -0.259 374 HB3 HIS 44 HB2 HIS 44 0.815 -12.994 0.526 375 HD1 HIS 44 HD1 HIS 44 0.845 -13.358 2.964 376 HD2 HIS 44 HD2 HIS 44 -2.902 -14.157 1.343 377 HE1 HIS 44 HE1 HIS 44 -0.606 -14.036 4.905 378 HE2 HIS 44 HE2 HIS 44 -2.824 -14.652 3.886 379 H ALA 45 H ALA 45 -0.879 -13.006 -2.748 380 HA ALA 45 HA ALA 45 1.420 -11.658 -3.724 381 HB1 ALA 45 HB1 ALA 45 0.547 -13.729 -4.734 382 HB2 ALA 45 HB2 ALA 45 0.732 -12.434 -5.919 383 HB3 ALA 45 HB3 ALA 45 -0.868 -12.840 -5.299 384 H HIS 46 H HIS 46 -2.045 -11.014 -3.883 385 HA HIS 46 HA HIS 46 -1.871 -8.638 -5.396 386 HB2 HIS 46 HB3 HIS 46 -3.946 -9.903 -3.692 387 HB3 HIS 46 HB2 HIS 46 -4.122 -8.185 -4.020 388 HD1 HIS 46 HD1 HIS 46 -5.451 -11.161 -5.228 389 HD2 HIS 46 HD2 HIS 46 -3.591 -7.935 -7.104 390 HE1 HIS 46 HE1 HIS 46 -6.237 -11.206 -7.615 391 HE2 HIS 46 HE2 HIS 46 -4.943 -9.376 -8.770 392 H THR 47 H THR 47 -1.523 -9.299 -1.944 393 HA THR 47 HA THR 47 -1.375 -6.712 -0.950 394 HB THR 47 HB THR 47 0.372 -9.084 -0.250 395 HG1 THR 47 HG1 THR 47 -1.644 -8.195 1.456 396 HG21 THR 47 HG21 THR 47 -0.055 -6.504 1.271 397 HG22 THR 47 HG22 THR 47 1.435 -7.009 0.469 398 HG23 THR 47 HG23 THR 47 0.835 -7.913 1.861 399 H ARG 48 H ARG 48 1.297 -8.696 -2.175 400 HA ARG 48 HA ARG 48 3.322 -6.817 -2.177 401 HB2 ARG 48 HB3 ARG 48 3.538 -9.266 -2.665 402 HB3 ARG 48 HB2 ARG 48 2.880 -8.958 -4.265 403 HG2 ARG 48 HG3 ARG 48 4.800 -7.412 -4.668 404 HG3 ARG 48 HG2 ARG 48 5.484 -7.966 -3.136 405 HD2 ARG 48 HD3 ARG 48 5.157 -10.333 -4.128 406 HD3 ARG 48 HD2 ARG 48 5.043 -9.495 -5.673 407 HE ARG 48 HE ARG 48 7.387 -9.175 -3.913 408 HH11 ARG 48 HH11 ARG 48 5.983 -9.849 -7.055 409 HH12 ARG 48 HH12 ARG 48 7.527 -10.089 -7.818 410 HH21 ARG 48 HH22 ARG 48 9.384 -9.501 -4.901 411 HH22 ARG 48 HH21 ARG 48 9.462 -9.890 -6.596 412 H GLU 49 H GLU 49 0.993 -7.583 -4.706 413 HA GLU 49 HA GLU 49 1.949 -5.840 -6.671 414 HB2 GLU 49 HB3 GLU 49 0.390 -7.706 -7.065 415 HB3 GLU 49 HB2 GLU 49 -0.869 -6.820 -6.222 416 HG2 GLU 49 HG3 GLU 49 -0.944 -5.158 -7.918 417 HG3 GLU 49 HG2 GLU 49 0.498 -5.813 -8.698 418 H PHE 50 H PHE 50 -0.701 -5.365 -4.318 419 HA PHE 50 HA PHE 50 -1.276 -2.738 -5.227 420 HB2 PHE 50 HB3 PHE 50 -2.055 -4.256 -2.748 421 HB3 PHE 50 HB2 PHE 50 -2.548 -2.585 -3.012 422 HD1 PHE 50 HD2 PHE 50 -2.841 -2.907 -6.065 423 HD2 PHE 50 HD1 PHE 50 -4.274 -5.158 -2.750 424 HE1 PHE 50 HE2 PHE 50 -4.750 -3.664 -7.415 425 HE2 PHE 50 HE1 PHE 50 -6.188 -5.921 -4.097 426 HZ PHE 50 HZ PHE 50 -6.428 -5.168 -6.430 427 H ILE 51 H ILE 51 0.682 -3.983 -2.546 428 HA ILE 51 HA ILE 51 1.286 -1.483 -1.406 429 HB ILE 51 HB ILE 51 2.910 -4.026 -1.417 430 HG12 ILE 51 HG13 ILE 51 0.757 -4.232 -0.284 431 HG13 ILE 51 HG12 ILE 51 2.065 -4.244 0.894 432 HG21 ILE 51 HG21 ILE 51 4.376 -2.124 -1.035 433 HG22 ILE 51 HG22 ILE 51 4.167 -3.050 0.451 434 HG23 ILE 51 HG23 ILE 51 3.302 -1.529 0.230 435 HD11 ILE 51 HD11 ILE 51 1.612 -1.900 1.412 436 HD12 ILE 51 HD12 ILE 51 0.197 -2.918 1.679 437 HD13 ILE 51 HD13 ILE 51 0.292 -1.902 0.242 438 H GLN 52 H GLN 52 2.967 -3.433 -3.839 439 HA GLN 52 HA GLN 52 5.074 -1.610 -4.310 440 HB2 GLN 52 HB3 GLN 52 5.137 -4.004 -4.936 441 HB3 GLN 52 HB2 GLN 52 3.922 -3.698 -6.169 442 HG2 GLN 52 HG3 GLN 52 6.099 -3.821 -7.173 443 HG3 GLN 52 HG2 GLN 52 5.475 -2.178 -7.301 444 HE21 GLN 52 HE22 GLN 52 7.484 -1.274 -7.536 445 HE22 GLN 52 HE21 GLN 52 8.627 -1.170 -6.244 446 H SER 53 H SER 53 1.827 -1.901 -5.604 447 HA SER 53 HA SER 53 2.091 -0.211 -7.828 448 HB2 SER 53 HB3 SER 53 0.122 -1.727 -7.201 449 HB3 SER 53 HB2 SER 53 -0.400 -0.431 -6.130 450 HG SER 53 HG SER 53 -0.226 0.918 -8.149 451 H PHE 54 H PHE 54 1.390 0.480 -4.423 452 HA PHE 54 HA PHE 54 0.968 3.267 -4.809 453 HB2 PHE 54 HB3 PHE 54 0.227 1.905 -2.798 454 HB3 PHE 54 HB2 PHE 54 1.902 1.946 -2.257 455 HD1 PHE 54 HD2 PHE 54 2.908 4.023 -1.483 456 HD2 PHE 54 HD1 PHE 54 -1.160 3.868 -2.717 457 HE1 PHE 54 HE2 PHE 54 2.507 6.201 -0.412 458 HE2 PHE 54 HE1 PHE 54 -1.569 6.046 -1.650 459 HZ PHE 54 HZ PHE 54 0.266 7.215 -0.494 460 H ILE 55 H ILE 55 3.779 1.269 -4.170 461 HA ILE 55 HA ILE 55 5.608 3.419 -3.782 462 HB ILE 55 HB ILE 55 6.161 0.598 -4.734 463 HG12 ILE 55 HG13 ILE 55 6.285 1.771 -1.944 464 HG13 ILE 55 HG12 ILE 55 5.019 0.702 -2.537 465 HG21 ILE 55 HG21 ILE 55 8.006 2.689 -3.584 466 HG22 ILE 55 HG22 ILE 55 8.012 2.076 -5.238 467 HG23 ILE 55 HG23 ILE 55 8.445 1.011 -3.900 468 HD11 ILE 55 HD11 ILE 55 6.640 -0.489 -1.170 469 HD12 ILE 55 HD12 ILE 55 7.932 -0.008 -2.270 470 HD13 ILE 55 HD13 ILE 55 6.649 -1.081 -2.831 471 H GLU 56 H GLU 56 4.414 1.651 -6.561 472 HA GLU 56 HA GLU 56 6.236 2.688 -8.471 473 HB2 GLU 56 HB3 GLU 56 4.728 0.636 -8.672 474 HB3 GLU 56 HB2 GLU 56 3.424 1.757 -9.042 475 HG2 GLU 56 HG3 GLU 56 4.297 0.911 -11.092 476 HG3 GLU 56 HG2 GLU 56 4.769 2.604 -10.946 477 H ARG 57 H ARG 57 3.383 3.936 -6.980 478 HA ARG 57 HA ARG 57 2.572 5.932 -8.736 479 HB2 ARG 57 HB3 ARG 57 1.427 5.349 -6.625 480 HB3 ARG 57 HB2 ARG 57 2.747 6.070 -5.717 481 HG2 ARG 57 HG3 ARG 57 2.195 8.251 -6.798 482 HG3 ARG 57 HG2 ARG 57 0.769 7.475 -7.496 483 HD2 ARG 57 HD3 ARG 57 0.063 6.852 -5.192 484 HD3 ARG 57 HD2 ARG 57 1.415 7.797 -4.569 485 HE ARG 57 HE ARG 57 -0.608 9.095 -6.266 486 HH11 ARG 57 HH11 ARG 57 1.063 8.798 -3.204 487 HH12 ARG 57 HH12 ARG 57 0.267 10.158 -2.472 488 HH21 ARG 57 HH22 ARG 57 -1.672 10.898 -5.323 489 HH22 ARG 57 HH21 ARG 57 -1.278 11.363 -3.696 490 H ASP 58 H ASP 58 5.374 5.722 -6.695 491 HA ASP 58 HA ASP 58 6.270 8.355 -6.634 492 HB2 ASP 58 HB3 ASP 58 7.409 6.818 -5.274 493 HB3 ASP 58 HB2 ASP 58 7.661 5.689 -6.599 494 H ASP 59 H ASP 59 6.491 5.935 -9.170 495 HA ASP 59 HA ASP 59 8.470 7.286 -10.698 496 HB2 ASP 59 HB3 ASP 59 7.870 4.823 -10.858 497 HB3 ASP 59 HB2 ASP 59 6.448 5.319 -11.773 498 H THR 60 H THR 60 5.133 7.781 -10.234 499 HA THR 60 HA THR 60 4.624 9.169 -12.694 500 HB THR 60 HB THR 60 3.104 9.325 -10.080 501 HG1 THR 60 HG1 THR 60 3.399 7.251 -11.686 502 HG21 THR 60 HG21 THR 60 2.252 9.980 -12.907 503 HG22 THR 60 HG22 THR 60 2.575 11.150 -11.627 504 HG23 THR 60 HG23 THR 60 1.218 10.034 -11.479 505 H GLU 61 H GLU 61 5.639 9.999 -9.435 506 HA GLU 61 HA GLU 61 5.595 12.841 -9.887 507 HB2 GLU 61 HB3 GLU 61 6.978 11.261 -7.703 508 HB3 GLU 61 HB2 GLU 61 6.651 12.989 -7.692 509 HG2 GLU 61 HG3 GLU 61 4.272 12.577 -7.615 510 HG3 GLU 61 HG2 GLU 61 4.546 10.839 -7.735 511 H LEU 62 H LEU 62 7.986 10.261 -9.800 512 HA LEU 62 HA LEU 62 10.271 11.839 -10.288 513 HB2 LEU 62 HB3 LEU 62 10.276 9.499 -9.450 514 HB3 LEU 62 HB2 LEU 62 9.784 8.955 -11.042 515 HG LEU 62 HG LEU 62 11.898 9.793 -11.984 516 HD11 LEU 62 HD11 LEU 62 12.330 11.610 -10.430 517 HD12 LEU 62 HD12 LEU 62 13.700 10.500 -10.479 518 HD13 LEU 62 HD13 LEU 62 12.575 10.455 -9.120 519 HD21 LEU 62 HD21 LEU 62 11.733 7.478 -11.232 520 HD22 LEU 62 HD22 LEU 62 12.245 7.961 -9.614 521 HD23 LEU 62 HD23 LEU 62 13.357 8.115 -10.974 522 H ASP 63 H ASP 63 7.819 10.506 -12.378 523 HA ASP 63 HA ASP 63 8.988 10.676 -14.877 524 HB2 ASP 63 HB3 ASP 63 6.797 9.732 -14.666 525 HB3 ASP 63 HB2 ASP 63 6.148 11.229 -14.004 526 H GLU 64 H GLU 64 7.452 13.230 -12.976 527 HA GLU 64 HA GLU 64 7.637 15.319 -14.798 528 HB2 GLU 64 HB3 GLU 64 7.583 15.130 -11.825 529 HB3 GLU 64 HB2 GLU 64 8.019 16.674 -12.545 530 HG2 GLU 64 HG3 GLU 64 5.502 15.155 -13.191 531 HG3 GLU 64 HG2 GLU 64 5.612 16.455 -12.001 532 H LEU 65 H LEU 65 10.031 14.131 -12.479 533 HA LEU 65 HA LEU 65 11.951 16.147 -13.092 534 HB2 LEU 65 HB3 LEU 65 12.303 13.477 -11.729 535 HB3 LEU 65 HB2 LEU 65 13.484 14.776 -11.743 536 HG LEU 65 HG LEU 65 10.745 14.894 -10.472 537 HD11 LEU 65 HD11 LEU 65 13.488 14.797 -9.238 538 HD12 LEU 65 HD12 LEU 65 12.318 13.477 -9.258 539 HD13 LEU 65 HD13 LEU 65 11.963 14.958 -8.369 540 HD21 LEU 65 HD21 LEU 65 12.970 16.930 -10.521 541 HD22 LEU 65 HD22 LEU 65 11.479 17.054 -9.588 542 HD23 LEU 65 HD23 LEU 65 11.419 17.063 -11.351 543 H LYS 66 H LYS 66 11.167 13.037 -14.416 544 HA LYS 66 HA LYS 66 13.544 12.633 -15.925 545 HB2 LYS 66 HB3 LYS 66 10.718 11.727 -16.534 546 HB3 LYS 66 HB2 LYS 66 12.182 11.094 -17.274 547 HG2 LYS 66 HG3 LYS 66 12.901 10.212 -15.123 548 HG3 LYS 66 HG2 LYS 66 11.455 10.883 -14.360 549 HD2 LYS 66 HD3 LYS 66 10.086 9.502 -15.929 550 HD3 LYS 66 HD2 LYS 66 11.580 8.734 -16.471 551 HE2 LYS 66 HE3 LYS 66 12.008 7.991 -14.168 552 HE3 LYS 66 HE2 LYS 66 10.490 8.732 -13.659 553 HZ1 LYS 66 HZ1 LYS 66 10.060 6.451 -13.988 554 HZ2 LYS 66 HZ2 LYS 66 10.861 6.427 -15.485 555 HZ3 LYS 66 HZ3 LYS 66 9.389 7.243 -15.326 556 H LYS 67 H LYS 67 10.472 14.222 -16.547 557 HA LYS 67 HA LYS 67 10.998 14.898 -19.258 558 HB2 LYS 67 HB3 LYS 67 8.732 14.705 -18.378 559 HB3 LYS 67 HB2 LYS 67 9.031 16.026 -17.260 560 HG2 LYS 67 HG3 LYS 67 9.285 17.558 -19.154 561 HG3 LYS 67 HG2 LYS 67 8.949 16.224 -20.262 562 HD2 LYS 67 HD3 LYS 67 6.746 15.942 -19.323 563 HD3 LYS 67 HD2 LYS 67 7.077 17.160 -18.090 564 HE2 LYS 67 HE3 LYS 67 7.304 18.858 -19.840 565 HE3 LYS 67 HE2 LYS 67 6.958 17.636 -21.064 566 HZ1 LYS 67 HZ1 LYS 67 5.103 18.450 -18.888 567 HZ2 LYS 67 HZ2 LYS 67 4.780 17.312 -20.107 568 HZ3 LYS 67 HZ3 LYS 67 4.998 18.945 -20.510 569 H LYS 68 H LYS 68 11.734 16.384 -16.203 570 HA LYS 68 HA LYS 68 12.292 18.963 -17.397 571 HB2 LYS 68 HB3 LYS 68 12.705 18.017 -14.556 572 HB3 LYS 68 HB2 LYS 68 12.847 19.677 -15.117 573 HG2 LYS 68 HG3 LYS 68 10.484 19.686 -15.717 574 HG3 LYS 68 HG2 LYS 68 10.337 18.015 -15.178 575 HD2 LYS 68 HD3 LYS 68 11.253 18.937 -12.927 576 HD3 LYS 68 HD2 LYS 68 10.738 20.500 -13.563 577 HE2 LYS 68 HE3 LYS 68 9.012 18.062 -13.149 578 HE3 LYS 68 HE2 LYS 68 8.985 19.539 -12.192 579 HZ1 LYS 68 HZ1 LYS 68 7.181 19.356 -13.862 580 HZ2 LYS 68 HZ2 LYS 68 8.344 19.436 -15.093 581 HZ3 LYS 68 HZ3 LYS 68 8.130 20.752 -14.039 582 H ARG 69 H ARG 69 13.919 16.224 -17.627 583 HA ARG 69 HA ARG 69 16.573 17.121 -17.005 584 HB2 ARG 69 HB3 ARG 69 15.628 14.894 -18.817 585 HB3 ARG 69 HB2 ARG 69 17.310 15.202 -18.417 586 HG2 ARG 69 HG3 ARG 69 16.724 14.820 -16.018 587 HG3 ARG 69 HG2 ARG 69 15.117 14.322 -16.558 588 HD2 ARG 69 HD3 ARG 69 16.152 12.584 -17.962 589 HD3 ARG 69 HD2 ARG 69 17.738 13.061 -17.360 590 HE ARG 69 HE ARG 69 15.607 11.922 -15.665 591 HH11 ARG 69 HH11 ARG 69 18.978 12.259 -16.553 592 HH12 ARG 69 HH12 ARG 69 19.546 11.187 -15.310 593 HH21 ARG 69 HH22 ARG 69 16.342 10.470 -14.052 594 HH22 ARG 69 HH21 ARG 69 18.048 10.147 -13.907 595 H ARG 70 H ARG 70 16.790 19.121 -17.955 596 HA ARG 70 HA ARG 70 16.893 19.147 -20.896 597 HB2 ARG 70 HB3 ARG 70 15.822 21.318 -19.079 598 HB3 ARG 70 HB2 ARG 70 16.053 21.485 -20.814 599 HG2 ARG 70 HG3 ARG 70 14.396 19.784 -21.240 600 HG3 ARG 70 HG2 ARG 70 14.216 19.485 -19.510 601 HD2 ARG 70 HD3 ARG 70 12.405 20.879 -20.360 602 HD3 ARG 70 HD2 ARG 70 13.392 21.758 -19.195 603 HE ARG 70 HE ARG 70 14.440 22.878 -21.119 604 HH11 ARG 70 HH11 ARG 70 11.385 21.253 -21.631 605 HH12 ARG 70 HH12 ARG 70 10.892 22.310 -22.919 606 HH21 ARG 70 HH22 ARG 70 13.815 24.270 -22.811 607 HH22 ARG 70 HH21 ARG 70 12.274 24.031 -23.595 608 H SER 71 H SER 71 17.903 21.570 -21.392 609 HA SER 71 HA SER 71 20.611 21.368 -20.444 610 HB2 SER 71 HB3 SER 71 19.985 22.025 -22.785 611 HB3 SER 71 HB2 SER 71 19.356 23.541 -22.144 612 HG SER 71 HG SER 71 21.711 23.468 -21.157 613 H ASN 72 H ASN 72 17.943 22.516 -19.023 614 HA ASN 72 HA ASN 72 18.987 24.973 -17.909 615 HB2 ASN 72 HB3 ASN 72 16.497 23.402 -17.199 616 HB3 ASN 72 HB2 ASN 72 16.894 25.007 -16.601 617 HD21 ASN 72 HD22 ASN 72 15.102 25.975 -17.427 618 HD22 ASN 72 HD21 ASN 72 14.835 26.190 -19.126 619 H ARG 73 H ARG 73 19.796 21.923 -17.453 620 HA ARG 73 HA ARG 73 20.897 20.748 -15.866 621 HB2 ARG 73 HB3 ARG 73 21.911 22.995 -15.285 622 HB3 ARG 73 HB2 ARG 73 20.679 23.144 -14.040 623 HG2 ARG 73 HG3 ARG 73 22.758 22.362 -13.082 624 HG3 ARG 73 HG2 ARG 73 21.526 21.102 -12.971 625 HD2 ARG 73 HD3 ARG 73 23.698 20.195 -13.666 626 HD3 ARG 73 HD2 ARG 73 22.470 19.980 -14.912 627 HE ARG 73 HE ARG 73 24.217 22.311 -15.118 628 HH11 ARG 73 HH11 ARG 73 23.430 19.076 -16.213 629 HH12 ARG 73 HH12 ARG 73 24.301 19.239 -17.709 630 HH21 ARG 73 HH22 ARG 73 25.376 22.517 -17.094 631 HH22 ARG 73 HH21 ARG 73 25.408 21.176 -18.202 632 HA PRO 74 HA PRO 74 16.998 19.298 -14.166 633 HB2 PRO 74 HB2 PRO 74 18.666 16.910 -13.639 634 HB3 PRO 74 HB3 PRO 74 17.142 17.047 -14.523 635 HG2 PRO 74 HG3 PRO 74 19.448 16.647 -15.808 636 HG3 PRO 74 HG2 PRO 74 18.185 17.694 -16.486 637 HD2 PRO 74 HD3 PRO 74 20.717 18.445 -15.074 638 HD3 PRO 74 HD2 PRO 74 19.963 19.184 -16.503 639 HA PRO 75 HA PRO 75 17.653 19.803 -9.808 640 HB2 PRO 75 HB2 PRO 75 15.429 17.974 -9.305 641 HB3 PRO 75 HB3 PRO 75 15.543 19.710 -8.988 642 HG2 PRO 75 HG3 PRO 75 13.950 18.697 -10.926 643 HG3 PRO 75 HG2 PRO 75 14.731 20.284 -11.064 644 HD2 PRO 75 HD3 PRO 75 15.506 17.672 -12.304 645 HD3 PRO 75 HD2 PRO 75 15.541 19.307 -12.999 646 H SER 76 H SER 76 19.629 18.482 -9.884 647 HA SER 76 HA SER 76 19.675 15.719 -9.512 648 HB2 SER 76 HB3 SER 76 21.921 16.248 -8.359 649 HB3 SER 76 HB2 SER 76 21.728 16.747 -10.039 650 HG SER 76 HG SER 76 22.582 18.446 -8.843 651 H ASN 77 H ASN 77 19.708 18.338 -7.131 652 HA ASN 77 HA ASN 77 19.722 16.832 -4.798 653 HB2 ASN 77 HB3 ASN 77 18.347 19.478 -5.315 654 HB3 ASN 77 HB2 ASN 77 18.701 18.812 -3.723 655 HD21 ASN 77 HD22 ASN 77 20.787 18.830 -2.959 656 HD22 ASN 77 HD21 ASN 77 22.054 19.743 -3.709 657 H ARG 78 H ARG 78 16.893 18.204 -6.465 658 HA ARG 78 HA ARG 78 14.959 17.135 -4.749 659 HB2 ARG 78 HB3 ARG 78 14.693 18.994 -6.449 660 HB3 ARG 78 HB2 ARG 78 14.554 17.742 -7.675 661 HG2 ARG 78 HG3 ARG 78 12.611 16.825 -6.441 662 HG3 ARG 78 HG2 ARG 78 12.717 18.199 -5.338 663 HD2 ARG 78 HD3 ARG 78 12.065 18.195 -8.271 664 HD3 ARG 78 HD2 ARG 78 11.083 18.785 -6.931 665 HE ARG 78 HE ARG 78 13.339 20.146 -8.187 666 HH11 ARG 78 HH11 ARG 78 10.963 20.104 -5.614 667 HH12 ARG 78 HH12 ARG 78 11.060 21.819 -5.333 668 HH21 ARG 78 HH22 ARG 78 13.477 22.387 -7.825 669 HH22 ARG 78 HH21 ARG 78 12.505 23.118 -6.571 670 H GLN 79 H GLN 79 16.215 15.909 -7.835 671 HA GLN 79 HA GLN 79 14.446 13.728 -8.071 672 HB2 GLN 79 HB3 GLN 79 15.679 14.513 -9.984 673 HB3 GLN 79 HB2 GLN 79 17.211 14.188 -9.190 674 HG2 GLN 79 HG3 GLN 79 16.704 11.787 -9.238 675 HG3 GLN 79 HG2 GLN 79 15.201 12.139 -10.091 676 HE21 GLN 79 HE22 GLN 79 15.274 12.804 -12.224 677 HE22 GLN 79 HE21 GLN 79 16.695 12.645 -13.192 678 H VAL 80 H VAL 80 17.740 13.933 -6.763 679 HA VAL 80 HA VAL 80 17.897 11.168 -6.130 680 HB VAL 80 HB VAL 80 19.445 13.493 -4.966 681 HG11 VAL 80 HG11 VAL 80 21.065 11.798 -4.218 682 HG12 VAL 80 HG12 VAL 80 19.962 10.526 -4.743 683 HG13 VAL 80 HG13 VAL 80 19.499 11.607 -3.429 684 HG21 VAL 80 HG21 VAL 80 20.155 11.485 -7.106 685 HG22 VAL 80 HG22 VAL 80 21.224 12.737 -6.473 686 HG23 VAL 80 HG23 VAL 80 19.770 13.186 -7.364 687 H LEU 81 H LEU 81 16.839 14.004 -4.302 688 HA LEU 81 HA LEU 81 16.523 12.727 -1.810 689 HB2 LEU 81 HB3 LEU 81 16.517 15.188 -2.186 690 HB3 LEU 81 HB2 LEU 81 14.935 15.042 -2.923 691 HG LEU 81 HG LEU 81 14.022 14.226 -0.780 692 HD11 LEU 81 HD11 LEU 81 16.039 13.220 0.130 693 HD12 LEU 81 HD12 LEU 81 15.385 14.415 1.249 694 HD13 LEU 81 HD13 LEU 81 16.791 14.810 0.261 695 HD21 LEU 81 HD21 LEU 81 15.501 16.850 -0.613 696 HD22 LEU 81 HD22 LEU 81 14.148 16.365 0.410 697 HD23 LEU 81 HD23 LEU 81 13.906 16.596 -1.321 698 H LEU 82 H LEU 82 14.260 13.271 -4.483 699 HA LEU 82 HA LEU 82 12.015 12.037 -3.344 700 HB2 LEU 82 HB3 LEU 82 11.850 13.434 -5.313 701 HB3 LEU 82 HB2 LEU 82 12.855 12.330 -6.228 702 HG LEU 82 HG LEU 82 11.076 10.607 -6.035 703 HD11 LEU 82 HD11 LEU 82 9.494 12.869 -4.824 704 HD12 LEU 82 HD12 LEU 82 9.975 11.376 -4.017 705 HD13 LEU 82 HD13 LEU 82 8.824 11.328 -5.355 706 HD21 LEU 82 HD21 LEU 82 9.554 11.648 -7.649 707 HD22 LEU 82 HD22 LEU 82 11.244 11.986 -8.025 708 HD23 LEU 82 HD23 LEU 82 10.244 13.226 -7.268 709 H GLN 83 H GLN 83 14.522 10.720 -5.491 710 HA GLN 83 HA GLN 83 13.457 8.127 -5.664 711 HB2 GLN 83 HB3 GLN 83 15.105 9.018 -7.247 712 HB3 GLN 83 HB2 GLN 83 16.325 9.028 -5.982 713 HG2 GLN 83 HG3 GLN 83 16.294 6.635 -5.852 714 HG3 GLN 83 HG2 GLN 83 14.929 6.551 -6.963 715 HE21 GLN 83 HE22 GLN 83 17.627 5.396 -7.117 716 HE22 GLN 83 HE21 GLN 83 18.274 5.950 -8.624 717 H GLN 84 H GLN 84 15.721 9.569 -3.357 718 HA GLN 84 HA GLN 84 16.429 7.142 -2.082 719 HB2 GLN 84 HB3 GLN 84 16.568 10.015 -1.214 720 HB3 GLN 84 HB2 GLN 84 17.029 8.708 -0.132 721 HG2 GLN 84 HG3 GLN 84 18.693 7.956 -1.755 722 HG3 GLN 84 HG2 GLN 84 18.230 9.271 -2.832 723 HE21 GLN 84 HE22 GLN 84 20.791 8.637 -1.579 724 HE22 GLN 84 HE21 GLN 84 21.245 10.067 -0.705 725 H ARG 85 H ARG 85 13.693 9.276 -1.740 726 HA ARG 85 HA ARG 85 12.693 8.279 0.706 727 HB2 ARG 85 HB3 ARG 85 11.830 10.304 -0.534 728 HB3 ARG 85 HB2 ARG 85 11.053 9.204 -1.662 729 HG2 ARG 85 HG3 ARG 85 10.177 8.300 0.785 730 HG3 ARG 85 HG2 ARG 85 10.222 10.052 0.989 731 HD2 ARG 85 HD3 ARG 85 8.073 9.619 0.167 732 HD3 ARG 85 HD2 ARG 85 8.980 10.161 -1.245 733 HE ARG 85 HE ARG 85 8.237 7.368 -0.650 734 HH11 ARG 85 HH11 ARG 85 9.219 9.835 -2.937 735 HH12 ARG 85 HH12 ARG 85 9.060 8.795 -4.324 736 HH21 ARG 85 HH22 ARG 85 8.002 6.012 -2.446 737 HH22 ARG 85 HH21 ARG 85 8.338 6.636 -4.041 738 H ARG 86 H ARG 86 12.038 7.386 -2.658 739 HA ARG 86 HA ARG 86 10.392 5.168 -2.174 740 HB2 ARG 86 HB3 ARG 86 10.633 6.258 -4.373 741 HB3 ARG 86 HB2 ARG 86 12.287 5.673 -4.480 742 HG2 ARG 86 HG3 ARG 86 11.453 3.363 -4.476 743 HG3 ARG 86 HG2 ARG 86 9.798 3.979 -4.430 744 HD2 ARG 86 HD3 ARG 86 10.252 5.196 -6.542 745 HD3 ARG 86 HD2 ARG 86 11.840 4.434 -6.601 746 HE ARG 86 HE ARG 86 10.435 2.271 -6.574 747 HH11 ARG 86 HH11 ARG 86 9.501 5.280 -8.114 748 HH12 ARG 86 HH12 ARG 86 8.572 4.486 -9.356 749 HH21 ARG 86 HH22 ARG 86 9.209 1.237 -8.194 750 HH22 ARG 86 HH21 ARG 86 8.381 2.192 -9.402 751 H ASP 87 H ASP 87 13.889 5.469 -2.536 752 HA ASP 87 HA ASP 87 14.601 2.777 -2.526 753 HB2 ASP 87 HB3 ASP 87 16.082 4.803 -2.955 754 HB3 ASP 87 HB2 ASP 87 16.200 4.978 -1.208 755 H GLN 88 H GLN 88 14.136 5.014 0.196 756 HA GLN 88 HA GLN 88 14.846 3.107 2.178 757 HB2 GLN 88 HB3 GLN 88 14.923 5.566 2.546 758 HB3 GLN 88 HB2 GLN 88 13.164 5.592 2.527 759 HG2 GLN 88 HG3 GLN 88 13.108 4.131 4.474 760 HG3 GLN 88 HG2 GLN 88 14.869 4.066 4.484 761 HE21 GLN 88 HE22 GLN 88 13.041 4.964 6.547 762 HE22 GLN 88 HE21 GLN 88 13.480 6.601 6.899 763 H GLU 89 H GLU 89 11.756 4.129 0.769 764 HA GLU 89 HA GLU 89 10.064 2.683 2.475 765 HB2 GLU 89 HB3 GLU 89 9.705 3.335 -0.455 766 HB3 GLU 89 HB2 GLU 89 8.437 2.716 0.593 767 HG2 GLU 89 HG3 GLU 89 8.678 4.722 2.008 768 HG3 GLU 89 HG2 GLU 89 9.865 5.350 0.866 769 H LEU 90 H LEU 90 11.787 1.727 -0.449 770 HA LEU 90 HA LEU 90 10.745 -0.879 -0.667 771 HB2 LEU 90 HB3 LEU 90 13.426 0.228 -1.505 772 HB3 LEU 90 HB2 LEU 90 12.834 -1.360 -1.953 773 HG LEU 90 HG LEU 90 11.531 1.256 -2.714 774 HD11 LEU 90 HD11 LEU 90 13.197 -0.667 -4.333 775 HD12 LEU 90 HD12 LEU 90 13.651 0.969 -3.853 776 HD13 LEU 90 HD13 LEU 90 12.319 0.719 -4.980 777 HD21 LEU 90 HD21 LEU 90 10.145 -0.112 -4.181 778 HD22 LEU 90 HD22 LEU 90 9.935 -0.580 -2.493 779 HD23 LEU 90 HD23 LEU 90 10.922 -1.572 -3.568 780 H LYS 91 H LYS 91 13.426 0.445 1.195 781 HA LYS 91 HA LYS 91 14.368 -2.097 2.101 782 HB2 LYS 91 HB3 LYS 91 15.774 -0.036 1.990 783 HB3 LYS 91 HB2 LYS 91 14.842 0.625 3.326 784 HG2 LYS 91 HG3 LYS 91 15.643 -1.042 4.818 785 HG3 LYS 91 HG2 LYS 91 16.375 -1.954 3.498 786 HD2 LYS 91 HD3 LYS 91 17.907 -0.070 3.076 787 HD3 LYS 91 HD2 LYS 91 17.195 0.790 4.444 788 HE2 LYS 91 HE3 LYS 91 17.963 -0.878 5.974 789 HE3 LYS 91 HE2 LYS 91 18.487 -1.922 4.653 790 HZ1 LYS 91 HZ1 LYS 91 19.652 0.708 5.395 791 HZ2 LYS 91 HZ2 LYS 91 20.114 -0.204 4.041 792 HZ3 LYS 91 HZ3 LYS 91 20.371 -0.813 5.602 793 H GLU 92 H GLU 92 12.185 0.362 3.365 794 HA GLU 92 HA GLU 92 11.659 -0.813 5.875 795 HB2 GLU 92 HB3 GLU 92 11.013 1.493 5.243 796 HB3 GLU 92 HB2 GLU 92 9.842 0.846 4.105 797 HG2 GLU 92 HG3 GLU 92 8.688 1.547 6.063 798 HG3 GLU 92 HG2 GLU 92 8.658 -0.215 6.004 799 H PHE 93 H PHE 93 10.315 -1.263 2.674 800 HA PHE 93 HA PHE 93 8.248 -3.069 3.335 801 HB2 PHE 93 HB3 PHE 93 8.382 -1.796 1.222 802 HB3 PHE 93 HB2 PHE 93 9.794 -2.731 0.753 803 HD1 PHE 93 HD1 PHE 93 6.393 -3.547 2.060 804 HD2 PHE 93 HD2 PHE 93 9.356 -4.205 -0.919 805 HE1 PHE 93 HE1 PHE 93 4.920 -5.180 0.960 806 HE2 PHE 93 HE2 PHE 93 7.891 -5.842 -2.021 807 HZ PHE 93 HZ PHE 93 5.670 -6.331 -1.080 808 H LYS 94 H LYS 94 11.615 -3.496 2.384 809 HA LYS 94 HA LYS 94 11.621 -6.319 2.289 810 HB2 LYS 94 HB3 LYS 94 13.383 -4.997 1.256 811 HB3 LYS 94 HB2 LYS 94 13.857 -4.352 2.821 812 HG2 LYS 94 HG3 LYS 94 14.478 -6.639 3.530 813 HG3 LYS 94 HG2 LYS 94 14.109 -7.206 1.900 814 HD2 LYS 94 HD3 LYS 94 15.816 -5.743 0.981 815 HD3 LYS 94 HD2 LYS 94 16.151 -5.096 2.587 816 HE2 LYS 94 HE3 LYS 94 16.537 -7.953 1.706 817 HE3 LYS 94 HE2 LYS 94 17.813 -6.760 1.937 818 HZ1 LYS 94 HZ1 LYS 94 17.697 -8.151 3.854 819 HZ2 LYS 94 HZ2 LYS 94 16.034 -7.886 4.029 820 HZ3 LYS 94 HZ3 LYS 94 17.128 -6.616 4.294 821 H ALA 95 H ALA 95 12.013 -4.010 4.889 822 HA ALA 95 HA ALA 95 12.896 -6.010 6.787 823 HB1 ALA 95 HB1 ALA 95 13.777 -3.727 6.869 824 HB2 ALA 95 HB2 ALA 95 12.968 -4.168 8.373 825 HB3 ALA 95 HB3 ALA 95 12.157 -3.118 7.210 826 H GLY 96 H GLY 96 10.108 -5.926 5.453 827 HA2 GLY 96 HA3 GLY 96 8.129 -6.914 6.225 828 HA3 GLY 96 HA2 GLY 96 8.669 -6.646 7.880 829 H PHE 97 H PHE 97 7.125 -5.231 5.099 830 HA PHE 97 HA PHE 97 6.789 -2.643 6.330 831 HB2 PHE 97 HB3 PHE 97 7.044 -3.148 3.824 832 HB3 PHE 97 HB2 PHE 97 5.361 -3.661 3.878 833 HD1 PHE 97 HD1 PHE 97 7.633 -0.805 4.354 834 HD2 PHE 97 HD2 PHE 97 3.602 -2.085 3.895 835 HE1 PHE 97 HE1 PHE 97 6.931 1.531 4.036 836 HE2 PHE 97 HE2 PHE 97 2.892 0.248 3.579 837 HZ PHE 97 HZ PHE 97 4.562 2.056 3.649 838 H LEU 98 H LEU 98 4.806 -1.732 6.989 839 HA LEU 98 HA LEU 98 3.054 -3.554 8.311 840 HB2 LEU 98 HB3 LEU 98 3.669 -1.287 9.158 841 HB3 LEU 98 HB2 LEU 98 2.703 -0.589 7.872 842 HG LEU 98 HG LEU 98 0.701 -1.744 8.820 843 HD11 LEU 98 HD11 LEU 98 1.853 -3.537 9.997 844 HD12 LEU 98 HD12 LEU 98 0.840 -2.607 11.102 845 HD13 LEU 98 HD13 LEU 98 2.587 -2.363 11.090 846 HD21 LEU 98 HD21 LEU 98 2.167 0.130 10.674 847 HD22 LEU 98 HD22 LEU 98 0.437 -0.203 10.702 848 HD23 LEU 98 HD23 LEU 98 1.158 0.600 9.307 849 H CYS 99 H CYS 99 1.960 -4.814 6.879 850 HA CYS 99 HA CYS 99 0.063 -3.446 5.086 851 HB2 CYS 99 HB3 CYS 99 1.384 -6.090 4.453 852 HB3 CYS 99 HB2 CYS 99 0.411 -5.089 3.381 853 HG CYS 99 HG CYS 99 3.495 -4.208 4.567 854 HA PRO 100 HA PRO 100 -2.892 -6.247 7.003 855 HB2 PRO 100 HB2 PRO 100 -4.599 -5.994 4.664 856 HB3 PRO 100 HB3 PRO 100 -4.852 -5.365 6.293 857 HG2 PRO 100 HG3 PRO 100 -4.352 -3.776 4.142 858 HG3 PRO 100 HG2 PRO 100 -3.891 -3.343 5.799 859 HD2 PRO 100 HD3 PRO 100 -2.201 -4.464 3.592 860 HD3 PRO 100 HD2 PRO 100 -1.807 -3.207 4.786 861 H ASP 101 H ASP 101 -3.663 -8.365 6.747 862 HA ASP 101 HA ASP 101 -2.085 -10.032 5.064 863 HB2 ASP 101 HB3 ASP 101 -3.334 -11.879 6.049 864 HB3 ASP 101 HB2 ASP 101 -2.874 -10.730 7.301 865 H LEU 102 H LEU 102 -5.250 -8.655 4.835 866 HA LEU 102 HA LEU 102 -6.786 -8.519 3.184 867 HB2 LEU 102 HB3 LEU 102 -4.567 -9.604 1.458 868 HB3 LEU 102 HB2 LEU 102 -6.075 -8.947 0.860 869 HG LEU 102 HG LEU 102 -3.849 -7.462 2.241 870 HD11 LEU 102 HD11 LEU 102 -3.472 -7.883 -0.095 871 HD12 LEU 102 HD12 LEU 102 -3.880 -6.181 0.124 872 HD13 LEU 102 HD13 LEU 102 -5.090 -7.306 -0.496 873 HD21 LEU 102 HD21 LEU 102 -5.979 -6.625 3.092 874 HD22 LEU 102 HD22 LEU 102 -6.573 -6.437 1.441 875 HD23 LEU 102 HD23 LEU 102 -5.225 -5.451 2.011 876 H SER 103 H SER 103 -6.209 -11.219 4.624 877 HA SER 103 HA SER 103 -7.517 -12.951 2.630 878 HB2 SER 103 HB3 SER 103 -5.896 -13.797 5.036 879 HB3 SER 103 HB2 SER 103 -6.515 -14.842 3.756 880 HG SER 103 HG SER 103 -4.833 -12.663 3.139 881 H ASP 104 H ASP 104 -7.486 -12.112 6.089 882 HA ASP 104 HA ASP 104 -9.832 -13.593 6.718 883 HB2 ASP 104 HB3 ASP 104 -8.318 -11.392 8.087 884 HB3 ASP 104 HB2 ASP 104 -9.903 -11.863 8.689 885 H ALA 105 H ALA 105 -11.769 -13.232 5.918 886 HA ALA 105 HA ALA 105 -12.461 -11.018 4.363 887 HB1 ALA 105 HB1 ALA 105 -14.716 -11.928 4.364 888 HB2 ALA 105 HB2 ALA 105 -14.320 -12.963 5.736 889 HB3 ALA 105 HB3 ALA 105 -13.531 -13.220 4.180 890 H LYS 106 H LYS 106 -13.080 -11.679 7.793 891 HA LYS 106 HA LYS 106 -14.843 -9.478 8.146 892 HB2 LYS 106 HB3 LYS 106 -14.801 -11.364 9.711 893 HB3 LYS 106 HB2 LYS 106 -13.167 -10.931 10.200 894 HG2 LYS 106 HG3 LYS 106 -13.872 -9.027 11.322 895 HG3 LYS 106 HG2 LYS 106 -15.406 -8.968 10.454 896 HD2 LYS 106 HD3 LYS 106 -16.118 -11.015 11.619 897 HD3 LYS 106 HD2 LYS 106 -14.596 -11.015 12.517 898 HE2 LYS 106 HE3 LYS 106 -15.155 -9.025 13.650 899 HE3 LYS 106 HE2 LYS 106 -16.479 -8.673 12.542 900 HZ1 LYS 106 HZ1 LYS 106 -17.191 -9.527 14.733 901 HZ2 LYS 106 HZ2 LYS 106 -16.437 -11.005 14.382 902 HZ3 LYS 106 HZ3 LYS 106 -17.734 -10.470 13.432 903 H ASN 107 H ASN 107 -11.362 -9.873 8.426 904 HA ASN 107 HA ASN 107 -10.779 -7.285 9.406 905 HB2 ASN 107 HB3 ASN 107 -9.109 -9.103 9.391 906 HB3 ASN 107 HB2 ASN 107 -9.102 -9.084 7.630 907 HD21 ASN 107 HD22 ASN 107 -6.947 -8.589 7.468 908 HD22 ASN 107 HD21 ASN 107 -6.308 -7.040 7.893 909 H MET 108 H MET 108 -11.050 -8.628 6.150 910 HA MET 108 HA MET 108 -10.455 -6.274 4.726 911 HB2 MET 108 HB3 MET 108 -12.117 -8.683 3.977 912 HB3 MET 108 HB2 MET 108 -11.692 -7.403 2.849 913 HG2 MET 108 HG3 MET 108 -9.778 -9.214 4.299 914 HG3 MET 108 HG2 MET 108 -10.208 -9.287 2.591 915 HE1 MET 108 HE1 MET 108 -8.749 -5.858 1.298 916 HE2 MET 108 HE2 MET 108 -10.373 -6.147 1.928 917 HE3 MET 108 HE3 MET 108 -9.628 -7.325 0.850 918 H GLU 109 H GLU 109 -13.469 -7.557 6.011 919 HA GLU 109 HA GLU 109 -15.171 -5.627 4.846 920 HB2 GLU 109 HB3 GLU 109 -15.994 -7.747 5.775 921 HB3 GLU 109 HB2 GLU 109 -15.524 -7.227 7.388 922 HG2 GLU 109 HG3 GLU 109 -17.133 -5.407 7.283 923 HG3 GLU 109 HG2 GLU 109 -17.590 -5.896 5.652 924 H PHE 110 H PHE 110 -13.395 -5.751 7.890 925 HA PHE 110 HA PHE 110 -14.463 -3.301 8.899 926 HB2 PHE 110 HB3 PHE 110 -13.312 -5.257 10.169 927 HB3 PHE 110 HB2 PHE 110 -11.810 -4.456 9.722 928 HD1 PHE 110 HD1 PHE 110 -15.022 -2.872 10.676 929 HD2 PHE 110 HD2 PHE 110 -11.006 -3.731 11.787 930 HE1 PHE 110 HE1 PHE 110 -15.257 -1.407 12.638 931 HE2 PHE 110 HE2 PHE 110 -11.232 -2.265 13.751 932 HZ PHE 110 HZ PHE 110 -13.361 -1.100 14.178 933 H LEU 111 H LEU 111 -11.731 -4.220 6.935 934 HA LEU 111 HA LEU 111 -10.488 -1.677 6.775 935 HB2 LEU 111 HB3 LEU 111 -9.403 -3.800 6.140 936 HB3 LEU 111 HB2 LEU 111 -10.525 -3.979 4.808 937 HG LEU 111 HG LEU 111 -8.777 -1.555 4.894 938 HD11 LEU 111 HD11 LEU 111 -7.242 -3.384 5.345 939 HD12 LEU 111 HD12 LEU 111 -7.027 -2.791 3.698 940 HD13 LEU 111 HD13 LEU 111 -7.905 -4.294 3.987 941 HD21 LEU 111 HD21 LEU 111 -9.829 -3.290 2.661 942 HD22 LEU 111 HD22 LEU 111 -8.883 -1.815 2.466 943 HD23 LEU 111 HD23 LEU 111 -10.498 -1.738 3.170 944 H ARG 112 H ARG 112 -13.089 -3.256 5.039 945 HA ARG 112 HA ARG 112 -13.459 -1.268 3.041 946 HB2 ARG 112 HB3 ARG 112 -14.274 -3.674 3.006 947 HB3 ARG 112 HB2 ARG 112 -15.536 -3.179 4.121 948 HG2 ARG 112 HG3 ARG 112 -16.331 -1.555 2.422 949 HG3 ARG 112 HG2 ARG 112 -15.133 -2.208 1.300 950 HD2 ARG 112 HD3 ARG 112 -16.163 -4.456 1.609 951 HD3 ARG 112 HD2 ARG 112 -17.423 -3.699 2.582 952 HE ARG 112 HE ARG 112 -16.968 -3.096 -0.277 953 HH11 ARG 112 HH11 ARG 112 -19.105 -3.551 2.469 954 HH12 ARG 112 HH12 ARG 112 -20.554 -3.316 1.539 955 HH21 ARG 112 HH22 ARG 112 -18.864 -2.815 -1.502 956 HH22 ARG 112 HH21 ARG 112 -20.414 -2.895 -0.723 957 H ASN 113 H ASN 113 -14.372 -1.558 6.352 958 HA ASN 113 HA ASN 113 -16.452 0.467 6.240 959 HB2 ASN 113 HB3 ASN 113 -15.236 -1.141 8.484 960 HB3 ASN 113 HB2 ASN 113 -16.352 0.183 8.789 961 HD21 ASN 113 HD22 ASN 113 -16.579 -2.663 9.350 962 HD22 ASN 113 HD21 ASN 113 -18.031 -3.195 8.576 963 H TRP 114 H TRP 114 -13.213 0.656 6.061 964 HA TRP 114 HA TRP 114 -12.524 2.552 8.043 965 HB2 TRP 114 HB3 TRP 114 -10.918 1.160 6.708 966 HB3 TRP 114 HB2 TRP 114 -11.245 2.196 5.326 967 HD1 TRP 114 HD1 TRP 114 -9.760 2.444 8.888 968 HE1 TRP 114 HE1 TRP 114 -8.007 4.328 8.897 969 HE3 TRP 114 HE3 TRP 114 -10.422 4.170 4.127 970 HZ2 TRP 114 HZ2 TRP 114 -7.032 6.284 7.108 971 HZ3 TRP 114 HZ3 TRP 114 -9.040 6.047 3.353 972 HH2 TRP 114 HH2 TRP 114 -7.380 7.084 4.813 973 H ASN 115 H ASN 115 -13.332 4.542 8.247 974 HA ASN 115 HA ASN 115 -14.262 5.959 5.839 975 HB2 ASN 115 HB3 ASN 115 -14.892 6.517 8.750 976 HB3 ASN 115 HB2 ASN 115 -15.555 7.389 7.376 977 HD21 ASN 115 HD22 ASN 115 -15.770 4.621 9.364 978 HD22 ASN 115 HD21 ASN 115 -17.148 3.903 8.605 979 H GLY 116 H GLY 116 -11.448 5.764 6.862 980 HA2 GLY 116 HA3 GLY 116 -9.684 7.318 6.779 981 HA3 GLY 116 HA2 GLY 116 -10.856 8.621 6.954 982 H THR 117 H THR 117 -10.530 5.741 8.921 983 HA THR 117 HA THR 117 -10.479 7.410 11.308 984 HB THR 117 HB THR 117 -10.597 4.438 11.450 985 HG1 THR 117 HG1 THR 117 -13.081 5.197 11.029 986 HG21 THR 117 HG21 THR 117 -12.202 6.635 12.768 987 HG22 THR 117 HG22 THR 117 -10.790 5.842 13.467 988 HG23 THR 117 HG23 THR 117 -12.263 4.919 13.171 989 H PHE 118 H PHE 118 -8.649 7.730 12.431 990 HA PHE 118 HA PHE 118 -6.203 6.474 11.577 991 HB2 PHE 118 HB3 PHE 118 -6.304 8.869 12.228 992 HB3 PHE 118 HB2 PHE 118 -6.684 8.387 13.876 993 HD1 PHE 118 HD2 PHE 118 -4.090 8.160 11.247 994 HD2 PHE 118 HD1 PHE 118 -4.980 7.882 15.399 995 HE1 PHE 118 HE2 PHE 118 -1.685 8.054 11.752 996 HE2 PHE 118 HE1 PHE 118 -2.577 7.776 15.912 997 HZ PHE 118 HZ PHE 118 -0.925 7.862 14.085 998 H GLY 119 H GLY 119 -8.278 6.402 14.438 999 HA2 GLY 119 HA3 GLY 119 -6.634 4.667 15.979 1000 HA3 GLY 119 HA2 GLY 119 -8.345 4.976 16.241 1001 H LEU 120 H LEU 120 -8.526 4.092 13.245 1002 HA LEU 120 HA LEU 120 -9.324 1.411 13.804 1003 HB2 LEU 120 HB3 LEU 120 -9.965 3.281 11.903 1004 HB3 LEU 120 HB2 LEU 120 -8.973 2.168 10.983 1005 HG LEU 120 HG LEU 120 -11.321 1.217 12.613 1006 HD11 LEU 120 HD11 LEU 120 -12.144 2.891 11.045 1007 HD12 LEU 120 HD12 LEU 120 -12.645 1.271 10.564 1008 HD13 LEU 120 HD13 LEU 120 -11.317 2.070 9.723 1009 HD21 LEU 120 HD21 LEU 120 -11.243 -0.676 11.093 1010 HD22 LEU 120 HD22 LEU 120 -9.689 -0.463 11.901 1011 HD23 LEU 120 HD23 LEU 120 -9.891 0.056 10.227 1012 H LEU 121 H LEU 121 -6.377 2.887 12.985 1013 HA LEU 121 HA LEU 121 -5.156 0.660 11.663 1014 HB2 LEU 121 HB3 LEU 121 -3.897 2.978 13.133 1015 HB3 LEU 121 HB2 LEU 121 -3.029 1.826 12.136 1016 HG LEU 121 HG LEU 121 -5.069 3.846 11.206 1017 HD11 LEU 121 HD11 LEU 121 -2.115 3.550 10.686 1018 HD12 LEU 121 HD12 LEU 121 -2.880 4.778 11.697 1019 HD13 LEU 121 HD13 LEU 121 -3.171 4.758 9.957 1020 HD21 LEU 121 HD21 LEU 121 -3.592 1.747 9.617 1021 HD22 LEU 121 HD22 LEU 121 -4.599 3.030 8.946 1022 HD23 LEU 121 HD23 LEU 121 -5.325 1.772 9.946 1023 H ASN 122 H ASN 122 -5.944 1.425 14.883 1024 HA ASN 122 HA ASN 122 -4.033 -0.511 15.963 1025 HB2 ASN 122 HB3 ASN 122 -5.850 1.504 17.299 1026 HB3 ASN 122 HB2 ASN 122 -4.909 0.312 18.193 1027 HD21 ASN 122 HD22 ASN 122 -4.787 3.254 18.186 1028 HD22 ASN 122 HD21 ASN 122 -3.146 3.642 17.788 1029 H THR 123 H THR 123 -6.703 -0.856 14.408 1030 HA THR 123 HA THR 123 -7.693 -2.994 16.161 1031 HB THR 123 HB THR 123 -9.978 -2.615 15.239 1032 HG1 THR 123 HG1 THR 123 -9.704 -1.434 13.416 1033 HG21 THR 123 HG21 THR 123 -8.801 -0.212 16.638 1034 HG22 THR 123 HG22 THR 123 -9.315 -1.701 17.434 1035 HG23 THR 123 HG23 THR 123 -10.501 -0.682 16.616 1036 H LEU 124 H LEU 124 -7.145 -1.838 12.888 1037 HA LEU 124 HA LEU 124 -7.992 -4.112 11.472 1038 HB2 LEU 124 HB3 LEU 124 -5.947 -1.997 10.870 1039 HB3 LEU 124 HB2 LEU 124 -6.274 -3.306 9.753 1040 HG LEU 124 HG LEU 124 -8.335 -1.311 10.700 1041 HD11 LEU 124 HD11 LEU 124 -6.868 -1.469 8.068 1042 HD12 LEU 124 HD12 LEU 124 -6.583 -0.266 9.327 1043 HD13 LEU 124 HD13 LEU 124 -8.137 -0.320 8.492 1044 HD21 LEU 124 HD21 LEU 124 -9.692 -2.233 8.889 1045 HD22 LEU 124 HD22 LEU 124 -9.271 -3.480 10.063 1046 HD23 LEU 124 HD23 LEU 124 -8.420 -3.397 8.520 1047 H ARG 125 H ARG 125 -6.840 -5.862 10.604 1048 HA ARG 125 HA ARG 125 -4.647 -6.822 12.192 1049 HB2 ARG 125 HB3 ARG 125 -6.078 -7.892 9.770 1050 HB3 ARG 125 HB2 ARG 125 -4.620 -8.658 10.384 1051 HG2 ARG 125 HG3 ARG 125 -5.690 -9.106 12.495 1052 HG3 ARG 125 HG2 ARG 125 -7.128 -8.217 11.987 1053 HD2 ARG 125 HD3 ARG 125 -7.185 -10.774 11.824 1054 HD3 ARG 125 HD2 ARG 125 -7.729 -9.846 10.427 1055 HE ARG 125 HE ARG 125 -5.707 -10.398 9.298 1056 HH11 ARG 125 HH11 ARG 125 -6.090 -12.054 12.380 1057 HH12 ARG 125 HH12 ARG 125 -4.947 -13.302 11.981 1058 HH21 ARG 125 HH22 ARG 125 -4.220 -12.045 8.802 1059 HH22 ARG 125 HH21 ARG 125 -3.880 -13.287 9.962 1060 H LEU 126 H LEU 126 -3.379 -4.865 11.729 1061 HA LEU 126 HA LEU 126 -2.074 -4.850 9.122 1062 HB2 LEU 126 HB3 LEU 126 -1.837 -2.997 11.495 1063 HB3 LEU 126 HB2 LEU 126 -0.977 -2.789 9.979 1064 HG LEU 126 HG LEU 126 -3.985 -2.826 10.198 1065 HD11 LEU 126 HD11 LEU 126 -3.884 -0.405 9.966 1066 HD12 LEU 126 HD12 LEU 126 -2.122 -0.464 10.045 1067 HD13 LEU 126 HD13 LEU 126 -3.084 -0.939 11.445 1068 HD21 LEU 126 HD21 LEU 126 -3.079 -3.423 8.000 1069 HD22 LEU 126 HD22 LEU 126 -2.149 -1.925 7.983 1070 HD23 LEU 126 HD23 LEU 126 -3.912 -1.868 7.968 1071 H ILE 127 H ILE 127 -0.599 -6.367 8.946 1072 HA ILE 127 HA ILE 127 1.127 -6.983 11.244 1073 HB ILE 127 HB ILE 127 1.600 -9.114 10.026 1074 HG12 ILE 127 HG13 ILE 127 -0.588 -8.099 8.195 1075 HG13 ILE 127 HG12 ILE 127 1.096 -8.370 7.759 1076 HG21 ILE 127 HG21 ILE 127 -0.572 -10.158 10.521 1077 HG22 ILE 127 HG22 ILE 127 -1.296 -8.554 10.652 1078 HG23 ILE 127 HG23 ILE 127 -0.055 -9.057 11.799 1079 HD11 ILE 127 HD11 ILE 127 -0.350 -10.139 6.932 1080 HD12 ILE 127 HD12 ILE 127 -0.867 -10.495 8.581 1081 HD13 ILE 127 HD13 ILE 127 0.811 -10.757 8.105 1082 H ARG 128 H ARG 128 3.344 -7.891 10.418 1083 HA ARG 128 HA ARG 128 4.382 -5.931 8.513 1084 HB2 ARG 128 HB3 ARG 128 5.790 -7.752 10.468 1085 HB3 ARG 128 HB2 ARG 128 6.633 -6.755 9.288 1086 HG2 ARG 128 HG3 ARG 128 5.409 -4.778 10.302 1087 HG3 ARG 128 HG2 ARG 128 4.965 -5.866 11.616 1088 HD2 ARG 128 HD3 ARG 128 7.256 -6.234 12.182 1089 HD3 ARG 128 HD2 ARG 128 7.803 -5.376 10.741 1090 HE ARG 128 HE ARG 128 6.879 -4.215 13.231 1091 HH11 ARG 128 HH11 ARG 128 7.528 -3.687 9.831 1092 HH12 ARG 128 HH12 ARG 128 7.700 -1.970 9.994 1093 HH21 ARG 128 HH22 ARG 128 7.130 -1.963 13.466 1094 HH22 ARG 128 HH21 ARG 128 7.463 -0.982 12.072 1095 H ILE 129 H ILE 129 4.734 -6.471 6.504 1096 HA ILE 129 HA ILE 129 4.837 -9.338 5.840 1097 HB ILE 129 HB ILE 129 3.412 -7.062 4.515 1098 HG12 ILE 129 HG13 ILE 129 2.593 -9.854 5.336 1099 HG13 ILE 129 HG12 ILE 129 2.187 -8.361 6.173 1100 HG21 ILE 129 HG21 ILE 129 4.069 -9.694 3.208 1101 HG22 ILE 129 HG22 ILE 129 4.709 -8.116 2.751 1102 HG23 ILE 129 HG23 ILE 129 2.989 -8.458 2.559 1103 HD11 ILE 129 HD11 ILE 129 0.311 -9.203 4.879 1104 HD12 ILE 129 HD12 ILE 129 1.282 -9.131 3.408 1105 HD13 ILE 129 HD13 ILE 129 0.863 -7.646 4.260 1106 H ASN 130 H ASN 130 6.471 -10.033 4.658 1107 HA ASN 130 HA ASN 130 8.365 -8.064 3.593 1108 HB2 ASN 130 HB3 ASN 130 9.313 -9.689 5.152 1109 HB3 ASN 130 HB2 ASN 130 8.701 -11.018 4.172 1110 HD21 ASN 130 HD22 ASN 130 10.757 -11.863 3.907 1111 HD22 ASN 130 HD21 ASN 130 11.927 -11.139 2.857 1112 H ASP 131 H ASP 131 8.241 -7.628 1.542 1113 HA ASP 131 HA ASP 131 8.133 -7.787 -0.698 1114 HB2 ASP 131 HB3 ASP 131 10.026 -9.265 -0.383 1115 HB3 ASP 131 HB2 ASP 131 8.954 -10.638 -0.141 1116 H LYS 132 H LYS 132 7.110 -11.153 -0.434 1117 HA LYS 132 HA LYS 132 4.880 -10.361 -2.162 1118 HB2 LYS 132 HB3 LYS 132 4.935 -12.847 -2.769 1119 HB3 LYS 132 HB2 LYS 132 6.263 -11.835 -3.319 1120 HG2 LYS 132 HG3 LYS 132 7.504 -12.620 -1.240 1121 HG3 LYS 132 HG2 LYS 132 6.246 -13.851 -1.103 1122 HD2 LYS 132 HD3 LYS 132 6.846 -14.855 -3.129 1123 HD3 LYS 132 HD2 LYS 132 7.754 -13.439 -3.662 1124 HE2 LYS 132 HE3 LYS 132 8.503 -15.385 -1.489 1125 HE3 LYS 132 HE2 LYS 132 9.315 -15.143 -3.037 1126 HZ1 LYS 132 HZ1 LYS 132 9.543 -12.712 -2.143 1127 HZ2 LYS 132 HZ2 LYS 132 10.632 -13.921 -1.646 1128 HZ3 LYS 132 HZ3 LYS 132 9.357 -13.463 -0.629 1129 H GLY 133 H GLY 133 4.408 -9.984 0.514 1130 HA2 GLY 133 HA3 GLY 133 2.508 -10.260 1.816 1131 HA3 GLY 133 HA2 GLY 133 2.017 -11.575 0.759 1132 H GLU 134 H GLU 134 5.134 -11.432 2.330 1133 HA GLU 134 HA GLU 134 4.505 -13.935 3.690 1134 HB2 GLU 134 HB3 GLU 134 7.115 -12.428 3.438 1135 HB3 GLU 134 HB2 GLU 134 6.922 -14.014 4.171 1136 HG2 GLU 134 HG3 GLU 134 6.156 -14.898 2.010 1137 HG3 GLU 134 HG2 GLU 134 6.415 -13.311 1.287 1138 H GLN 135 H GLN 135 3.617 -13.798 5.643 1139 HA GLN 135 HA GLN 135 3.699 -11.400 7.176 1140 HB2 GLN 135 HB3 GLN 135 1.772 -12.945 7.237 1141 HB3 GLN 135 HB2 GLN 135 2.781 -14.153 8.024 1142 HG2 GLN 135 HG3 GLN 135 3.091 -12.689 9.930 1143 HG3 GLN 135 HG2 GLN 135 2.146 -11.430 9.140 1144 HE21 GLN 135 HE22 GLN 135 1.685 -12.671 11.683 1145 HE22 GLN 135 HE21 GLN 135 0.116 -13.398 11.608 1146 H VAL 136 H VAL 136 5.277 -10.726 8.379 1147 HA VAL 136 HA VAL 136 7.373 -12.507 9.285 1148 HB VAL 136 HB VAL 136 7.043 -9.558 9.862 1149 HG11 VAL 136 HG11 VAL 136 9.473 -11.344 9.881 1150 HG12 VAL 136 HG12 VAL 136 8.653 -10.683 11.295 1151 HG13 VAL 136 HG13 VAL 136 9.476 -9.605 10.168 1152 HG21 VAL 136 HG21 VAL 136 8.457 -10.875 7.541 1153 HG22 VAL 136 HG22 VAL 136 8.528 -9.159 7.941 1154 HG23 VAL 136 HG23 VAL 136 6.996 -9.887 7.451 1155 H VAL 137 H VAL 137 6.623 -13.789 10.900 1156 HA VAL 137 HA VAL 137 4.977 -12.640 13.007 1157 HB VAL 137 HB VAL 137 4.792 -14.993 13.829 1158 HG11 VAL 137 HG11 VAL 137 3.355 -15.760 11.981 1159 HG12 VAL 137 HG12 VAL 137 4.026 -14.491 10.957 1160 HG13 VAL 137 HG13 VAL 137 3.086 -14.065 12.386 1161 HG21 VAL 137 HG21 VAL 137 5.520 -16.808 12.344 1162 HG22 VAL 137 HG22 VAL 137 6.886 -15.877 12.960 1163 HG23 VAL 137 HG23 VAL 137 6.322 -15.629 11.307 1164 H GLY 138 H GLY 138 5.644 -12.179 14.992 1165 HA2 GLY 138 HA3 GLY 138 6.995 -11.967 16.834 1166 HA3 GLY 138 HA2 GLY 138 7.733 -13.491 16.359 1167 H GLY 139 H GLY 139 7.638 -10.196 15.002 1168 HA2 GLY 139 HA3 GLY 139 10.452 -10.411 14.300 1169 HA3 GLY 139 HA2 GLY 139 9.377 -9.074 13.915 1170 H ASN 140 H ASN 140 8.780 -7.631 15.672 1171 HA ASN 140 HA ASN 140 10.222 -7.634 18.139 1172 HB2 ASN 140 HB3 ASN 140 12.068 -6.925 16.697 1173 HB3 ASN 140 HB2 ASN 140 11.065 -5.657 16.003 1174 HD21 ASN 140 HD22 ASN 140 12.348 -3.990 16.600 1175 HD22 ASN 140 HD21 ASN 140 12.587 -3.499 18.242 1176 H GLU 141 H GLU 141 9.168 -5.098 15.909 1177 HA GLU 141 HA GLU 141 6.764 -4.578 17.426 1178 HB2 GLU 141 HB3 GLU 141 8.338 -3.248 18.699 1179 HB3 GLU 141 HB2 GLU 141 9.029 -2.576 17.234 1180 HG2 GLU 141 HG3 GLU 141 7.658 -0.926 18.288 1181 HG3 GLU 141 HG2 GLU 141 6.894 -1.431 16.785 Start of MODEL 5 1 H MET 1 H MET 1 24.424 -7.145 11.547 2 HA MET 1 HA MET 1 24.345 -4.820 12.223 3 HB2 MET 1 HB3 MET 1 25.631 -4.414 9.517 4 HB3 MET 1 HB2 MET 1 24.876 -3.131 10.450 5 HG2 MET 1 HG3 MET 1 26.488 -3.549 12.267 6 HG3 MET 1 HG2 MET 1 27.269 -4.763 11.257 7 HE1 MET 1 HE1 MET 1 27.048 -3.415 8.377 8 HE2 MET 1 HE2 MET 1 28.514 -4.201 8.967 9 HE3 MET 1 HE3 MET 1 28.599 -2.579 8.278 10 H ARG 2 H ARG 2 22.403 -3.927 11.921 11 HA ARG 2 HA ARG 2 20.747 -5.017 9.738 12 HB2 ARG 2 HB3 ARG 2 20.086 -5.677 12.029 13 HB3 ARG 2 HB2 ARG 2 19.948 -3.985 12.472 14 HG2 ARG 2 HG3 ARG 2 18.136 -3.730 10.821 15 HG3 ARG 2 HG2 ARG 2 18.248 -5.456 10.469 16 HD2 ARG 2 HD3 ARG 2 16.441 -4.990 12.046 17 HD3 ARG 2 HD2 ARG 2 17.703 -5.971 12.792 18 HE ARG 2 HE ARG 2 17.978 -3.126 13.220 19 HH11 ARG 2 HH11 ARG 2 16.531 -6.087 14.412 20 HH12 ARG 2 HH12 ARG 2 16.467 -5.539 16.065 21 HH21 ARG 2 HH22 ARG 2 17.861 -2.392 15.363 22 HH22 ARG 2 HH21 ARG 2 17.238 -3.430 16.607 23 H GLU 3 H GLU 3 19.497 -3.585 8.509 24 HA GLU 3 HA GLU 3 20.415 -0.929 8.229 25 HB2 GLU 3 HB3 GLU 3 17.712 -1.973 7.376 26 HB3 GLU 3 HB2 GLU 3 18.572 -0.596 6.710 27 HG2 GLU 3 HG3 GLU 3 20.229 -2.056 5.737 28 HG3 GLU 3 HG2 GLU 3 19.463 -3.460 6.486 29 H ASP 4 H ASP 4 17.776 -2.397 9.964 30 HA ASP 4 HA ASP 4 16.427 0.001 10.670 31 HB2 ASP 4 HB3 ASP 4 16.289 -2.696 12.034 32 HB3 ASP 4 HB2 ASP 4 15.092 -1.408 12.122 33 H LYS 5 H LYS 5 17.306 1.483 11.924 34 HA LYS 5 HA LYS 5 19.198 0.803 13.992 35 HB2 LYS 5 HB3 LYS 5 18.068 3.380 12.941 36 HB3 LYS 5 HB2 LYS 5 18.977 3.349 14.445 37 HG2 LYS 5 HG3 LYS 5 20.900 2.410 13.269 38 HG3 LYS 5 HG2 LYS 5 19.989 2.442 11.757 39 HD2 LYS 5 HD3 LYS 5 19.915 4.808 11.744 40 HD3 LYS 5 HD2 LYS 5 20.474 4.905 13.415 41 HE2 LYS 5 HE3 LYS 5 22.260 5.487 11.871 42 HE3 LYS 5 HE2 LYS 5 22.644 4.006 12.744 43 HZ1 LYS 5 HZ1 LYS 5 21.614 4.170 9.958 44 HZ2 LYS 5 HZ2 LYS 5 21.955 2.732 10.795 45 HZ3 LYS 5 HZ3 LYS 5 23.207 3.811 10.417 46 H ILE 6 H ILE 6 18.643 2.503 16.020 47 HA ILE 6 HA ILE 6 16.683 0.996 17.442 48 HB ILE 6 HB ILE 6 18.231 3.455 18.273 49 HG12 ILE 6 HG13 ILE 6 18.731 0.523 18.848 50 HG13 ILE 6 HG12 ILE 6 19.622 1.488 17.676 51 HG21 ILE 6 HG21 ILE 6 16.669 1.489 19.945 52 HG22 ILE 6 HG22 ILE 6 16.225 3.165 19.623 53 HG23 ILE 6 HG23 ILE 6 17.670 2.801 20.567 54 HD11 ILE 6 HD11 ILE 6 19.545 1.949 20.647 55 HD12 ILE 6 HD12 ILE 6 20.441 2.914 19.473 56 HD13 ILE 6 HD13 ILE 6 20.870 1.223 19.737 57 H ALA 7 H ALA 7 16.916 4.414 16.459 58 HA ALA 7 HA ALA 7 13.990 4.588 16.788 59 HB1 ALA 7 HB1 ALA 7 14.246 6.931 17.409 60 HB2 ALA 7 HB2 ALA 7 15.998 6.791 17.261 61 HB3 ALA 7 HB3 ALA 7 15.144 5.891 18.514 62 H ALA 8 H ALA 8 12.996 4.835 14.898 63 HA ALA 8 HA ALA 8 14.431 6.263 12.753 64 HB1 ALA 8 HB1 ALA 8 13.353 4.800 11.128 65 HB2 ALA 8 HB2 ALA 8 12.544 3.931 12.433 66 HB3 ALA 8 HB3 ALA 8 14.301 3.864 12.284 67 H LYS 9 H LYS 9 11.115 5.134 13.469 68 HA LYS 9 HA LYS 9 10.001 7.322 11.976 69 HB2 LYS 9 HB3 LYS 9 8.668 5.209 13.675 70 HB3 LYS 9 HB2 LYS 9 7.817 6.357 12.649 71 HG2 LYS 9 HG3 LYS 9 9.072 5.434 10.703 72 HG3 LYS 9 HG2 LYS 9 9.716 4.194 11.778 73 HD2 LYS 9 HD3 LYS 9 7.492 3.365 12.220 74 HD3 LYS 9 HD2 LYS 9 6.782 4.677 11.276 75 HE2 LYS 9 HE3 LYS 9 8.622 2.543 10.198 76 HE3 LYS 9 HE2 LYS 9 6.866 2.554 10.029 77 HZ1 LYS 9 HZ1 LYS 9 7.939 3.389 8.037 78 HZ2 LYS 9 HZ2 LYS 9 8.732 4.604 8.930 79 HZ3 LYS 9 HZ3 LYS 9 7.045 4.619 8.781 80 H LYS 10 H LYS 10 11.205 7.113 15.037 81 HA LYS 10 HA LYS 10 9.507 9.326 15.976 82 HB2 LYS 10 HB3 LYS 10 11.225 7.373 17.515 83 HB3 LYS 10 HB2 LYS 10 10.498 8.800 18.238 84 HG2 LYS 10 HG3 LYS 10 8.271 7.938 17.651 85 HG3 LYS 10 HG2 LYS 10 9.029 6.487 16.991 86 HD2 LYS 10 HD3 LYS 10 9.939 5.931 19.163 87 HD3 LYS 10 HD2 LYS 10 9.303 7.429 19.843 88 HE2 LYS 10 HE3 LYS 10 7.023 6.670 19.398 89 HE3 LYS 10 HE2 LYS 10 7.651 5.181 18.692 90 HZ1 LYS 10 HZ1 LYS 10 6.916 4.923 21.016 91 HZ2 LYS 10 HZ2 LYS 10 8.110 6.023 21.507 92 HZ3 LYS 10 HZ3 LYS 10 8.550 4.545 20.806 93 H LYS 11 H LYS 11 11.927 9.238 14.113 94 HA LYS 11 HA LYS 11 13.420 11.355 15.461 95 HB2 LYS 11 HB3 LYS 11 14.552 9.166 15.920 96 HB3 LYS 11 HB2 LYS 11 14.819 9.001 14.191 97 HG2 LYS 11 HG3 LYS 11 16.282 10.850 14.141 98 HG3 LYS 11 HG2 LYS 11 15.812 11.355 15.767 99 HD2 LYS 11 HD3 LYS 11 16.767 9.231 16.638 100 HD3 LYS 11 HD2 LYS 11 17.348 8.871 15.010 101 HE2 LYS 11 HE3 LYS 11 19.067 9.880 16.502 102 HE3 LYS 11 HE2 LYS 11 18.772 10.793 15.023 103 HZ1 LYS 11 HZ1 LYS 11 17.423 11.454 17.578 104 HZ2 LYS 11 HZ2 LYS 11 17.577 12.417 16.192 105 HZ3 LYS 11 HZ3 LYS 11 18.933 12.107 17.162 106 H LEU 12 H LEU 12 12.860 9.521 12.478 107 HA LEU 12 HA LEU 12 14.105 11.503 10.815 108 HB2 LEU 12 HB3 LEU 12 12.303 9.189 10.105 109 HB3 LEU 12 HB2 LEU 12 13.179 10.173 8.948 110 HG LEU 12 HG LEU 12 14.441 8.421 11.060 111 HD11 LEU 12 HD11 LEU 12 14.238 8.065 8.074 112 HD12 LEU 12 HD12 LEU 12 13.380 7.123 9.295 113 HD13 LEU 12 HD13 LEU 12 15.138 7.028 9.182 114 HD21 LEU 12 HD21 LEU 12 16.540 8.922 9.912 115 HD22 LEU 12 HD22 LEU 12 15.795 10.385 10.557 116 HD23 LEU 12 HD23 LEU 12 15.689 10.028 8.833 117 H HIS 13 H HIS 13 12.514 12.031 8.736 118 HA HIS 13 HA HIS 13 10.163 13.344 9.925 119 HB2 HIS 13 HB3 HIS 13 12.255 14.567 8.135 120 HB3 HIS 13 HB2 HIS 13 10.670 15.293 8.374 121 HD1 HIS 13 HD1 HIS 13 14.018 15.234 9.757 122 HD2 HIS 13 HD2 HIS 13 10.179 15.937 11.208 123 HE1 HIS 13 HE1 HIS 13 14.323 16.448 11.946 124 HE2 HIS 13 HE2 HIS 13 11.986 16.997 12.726 125 H GLN 14 H GLN 14 11.136 11.179 7.651 126 HA GLN 14 HA GLN 14 9.107 12.013 5.701 127 HB2 GLN 14 HB3 GLN 14 11.254 9.895 5.494 128 HB3 GLN 14 HB2 GLN 14 10.081 10.260 4.237 129 HG2 GLN 14 HG3 GLN 14 12.187 12.123 5.311 130 HG3 GLN 14 HG2 GLN 14 12.203 11.306 3.750 131 HE21 GLN 14 HE22 GLN 14 12.314 14.143 4.389 132 HE22 GLN 14 HE21 GLN 14 10.986 14.877 3.543 133 H ASP 15 H ASP 15 9.454 10.076 8.365 134 HA ASP 15 HA ASP 15 7.659 7.979 7.507 135 HB2 ASP 15 HB3 ASP 15 8.841 8.603 10.222 136 HB3 ASP 15 HB2 ASP 15 7.836 7.201 9.866 137 H LYS 16 H LYS 16 5.792 9.036 6.980 138 HA LYS 16 HA LYS 16 4.390 10.381 9.190 139 HB2 LYS 16 HB3 LYS 16 4.131 10.766 6.205 140 HB3 LYS 16 HB2 LYS 16 3.065 11.506 7.391 141 HG2 LYS 16 HG3 LYS 16 4.854 12.787 8.307 142 HG3 LYS 16 HG2 LYS 16 6.042 11.921 7.330 143 HD2 LYS 16 HD3 LYS 16 5.074 12.840 5.302 144 HD3 LYS 16 HD2 LYS 16 3.829 13.659 6.247 145 HE2 LYS 16 HE3 LYS 16 5.462 15.057 7.302 146 HE3 LYS 16 HE2 LYS 16 6.784 14.142 6.578 147 HZ1 LYS 16 HZ1 LYS 16 6.178 14.930 4.427 148 HZ2 LYS 16 HZ2 LYS 16 6.305 16.272 5.455 149 HZ3 LYS 16 HZ3 LYS 16 4.776 15.681 5.020 150 H ARG 17 H ARG 17 1.879 10.323 8.615 151 HA ARG 17 HA ARG 17 1.248 7.485 8.696 152 HB2 ARG 17 HB3 ARG 17 -0.514 9.904 9.131 153 HB3 ARG 17 HB2 ARG 17 -0.990 8.233 9.404 154 HG2 ARG 17 HG3 ARG 17 0.756 8.036 11.122 155 HG3 ARG 17 HG2 ARG 17 1.168 9.733 10.873 156 HD2 ARG 17 HD3 ARG 17 -1.089 10.381 11.543 157 HD3 ARG 17 HD2 ARG 17 -1.511 8.685 11.780 158 HE ARG 17 HE ARG 17 0.688 9.899 13.320 159 HH11 ARG 17 HH11 ARG 17 -2.437 8.321 13.205 160 HH12 ARG 17 HH12 ARG 17 -2.508 8.038 14.916 161 HH21 ARG 17 HH22 ARG 17 0.595 9.563 15.570 162 HH22 ARG 17 HH21 ARG 17 -0.769 8.741 16.261 163 H VAL 18 H VAL 18 1.514 9.784 6.353 164 HA VAL 18 HA VAL 18 -0.705 9.160 4.695 165 HB VAL 18 HB VAL 18 2.006 10.289 3.977 166 HG11 VAL 18 HG11 VAL 18 0.962 11.016 1.883 167 HG12 VAL 18 HG12 VAL 18 -0.516 10.162 2.324 168 HG13 VAL 18 HG13 VAL 18 0.967 9.258 2.022 169 HG21 VAL 18 HG21 VAL 18 -0.668 11.600 4.431 170 HG22 VAL 18 HG22 VAL 18 0.793 12.424 3.886 171 HG23 VAL 18 HG23 VAL 18 0.737 11.697 5.492 172 H HIS 19 H HIS 19 2.636 7.980 4.855 173 HA HIS 19 HA HIS 19 2.399 6.132 2.720 174 HB2 HIS 19 HB3 HIS 19 4.521 7.040 3.967 175 HB3 HIS 19 HB2 HIS 19 4.251 5.669 5.037 176 HD1 HIS 19 HD1 HIS 19 5.691 3.743 4.376 177 HD2 HIS 19 HD2 HIS 19 4.445 5.974 1.094 178 HE1 HIS 19 HE1 HIS 19 6.712 2.633 2.378 179 HE2 HIS 19 HE2 HIS 19 6.223 4.206 0.474 180 H GLU 20 H GLU 20 0.947 6.192 5.696 181 HA GLU 20 HA GLU 20 0.807 3.282 5.987 182 HB2 GLU 20 HB3 GLU 20 1.491 4.634 7.949 183 HB3 GLU 20 HB2 GLU 20 -0.048 5.478 7.886 184 HG2 GLU 20 HG3 GLU 20 -0.026 3.773 9.621 185 HG3 GLU 20 HG2 GLU 20 -1.225 3.415 8.379 186 H LEU 21 H LEU 21 -1.414 6.047 6.389 187 HA LEU 21 HA LEU 21 -3.701 4.364 6.328 188 HB2 LEU 21 HB3 LEU 21 -3.606 7.363 6.049 189 HB3 LEU 21 HB2 LEU 21 -4.987 6.395 6.530 190 HG LEU 21 HG LEU 21 -2.443 6.741 8.122 191 HD11 LEU 21 HD11 LEU 21 -5.225 7.810 8.569 192 HD12 LEU 21 HD12 LEU 21 -3.808 8.750 8.104 193 HD13 LEU 21 HD13 LEU 21 -3.869 7.972 9.685 194 HD21 LEU 21 HD21 LEU 21 -3.651 5.547 9.893 195 HD22 LEU 21 HD22 LEU 21 -3.395 4.539 8.469 196 HD23 LEU 21 HD23 LEU 21 -4.979 5.248 8.773 197 H ALA 22 H ALA 22 -2.068 6.281 3.880 198 HA ALA 22 HA ALA 22 -4.181 6.496 2.044 199 HB1 ALA 22 HB1 ALA 22 -1.234 6.346 1.436 200 HB2 ALA 22 HB2 ALA 22 -2.125 7.806 1.860 201 HB3 ALA 22 HB3 ALA 22 -2.491 6.955 0.359 202 H ARG 23 H ARG 23 -1.963 3.855 2.687 203 HA ARG 23 HA ARG 23 -2.457 2.376 0.313 204 HB2 ARG 23 HB3 ARG 23 -1.803 1.143 2.982 205 HB3 ARG 23 HB2 ARG 23 -1.407 0.538 1.383 206 HG2 ARG 23 HG3 ARG 23 0.207 2.318 1.081 207 HG3 ARG 23 HG2 ARG 23 -0.226 2.995 2.655 208 HD2 ARG 23 HD3 ARG 23 1.200 0.433 2.031 209 HD3 ARG 23 HD2 ARG 23 1.692 1.743 3.106 210 HE ARG 23 HE ARG 23 -0.454 -0.192 3.678 211 HH11 ARG 23 HH11 ARG 23 2.056 1.987 4.773 212 HH12 ARG 23 HH12 ARG 23 1.767 1.666 6.464 213 HH21 ARG 23 HH22 ARG 23 -0.824 -0.602 5.891 214 HH22 ARG 23 HH21 ARG 23 0.114 0.231 7.095 215 H VAL 24 H VAL 24 -3.888 2.392 3.529 216 HA VAL 24 HA VAL 24 -5.614 0.191 3.155 217 HB VAL 24 HB VAL 24 -5.910 2.519 5.067 218 HG11 VAL 24 HG11 VAL 24 -7.279 0.974 6.398 219 HG12 VAL 24 HG12 VAL 24 -7.152 -0.233 5.118 220 HG13 VAL 24 HG13 VAL 24 -7.993 1.288 4.815 221 HG21 VAL 24 HG21 VAL 24 -4.609 -0.179 5.451 222 HG22 VAL 24 HG22 VAL 24 -4.838 1.043 6.703 223 HG23 VAL 24 HG23 VAL 24 -3.773 1.370 5.335 224 H LYS 25 H LYS 25 -6.093 3.696 2.824 225 HA LYS 25 HA LYS 25 -8.848 3.495 2.199 226 HB2 LYS 25 HB3 LYS 25 -7.637 5.570 3.006 227 HB3 LYS 25 HB2 LYS 25 -7.033 5.751 1.362 228 HG2 LYS 25 HG3 LYS 25 -9.322 5.873 0.529 229 HG3 LYS 25 HG2 LYS 25 -9.932 5.691 2.174 230 HD2 LYS 25 HD3 LYS 25 -8.711 7.770 2.785 231 HD3 LYS 25 HD2 LYS 25 -8.292 7.970 1.081 232 HE2 LYS 25 HE3 LYS 25 -11.071 7.888 2.252 233 HE3 LYS 25 HE2 LYS 25 -10.236 9.313 1.637 234 HZ1 LYS 25 HZ1 LYS 25 -11.779 8.483 0.010 235 HZ2 LYS 25 HZ2 LYS 25 -11.065 6.946 0.038 236 HZ3 LYS 25 HZ3 LYS 25 -10.199 8.270 -0.563 237 H PHE 26 H PHE 26 -5.922 3.398 0.241 238 HA PHE 26 HA PHE 26 -7.137 3.505 -2.288 239 HB2 PHE 26 HB3 PHE 26 -4.741 3.599 -2.198 240 HB3 PHE 26 HB2 PHE 26 -4.650 2.057 -1.352 241 HD1 PHE 26 HD1 PHE 26 -5.750 3.553 -4.582 242 HD2 PHE 26 HD2 PHE 26 -4.318 0.099 -2.545 243 HE1 PHE 26 HE1 PHE 26 -5.564 2.366 -6.730 244 HE2 PHE 26 HE2 PHE 26 -4.126 -1.091 -4.690 245 HZ PHE 26 HZ PHE 26 -4.759 0.036 -6.787 246 H MET 27 H MET 27 -6.263 0.681 -0.305 247 HA MET 27 HA MET 27 -7.464 -1.287 -1.870 248 HB2 MET 27 HB3 MET 27 -7.103 -1.163 1.129 249 HB3 MET 27 HB2 MET 27 -7.585 -2.610 0.253 250 HG2 MET 27 HG3 MET 27 -5.487 -2.652 -0.925 251 HG3 MET 27 HG2 MET 27 -5.010 -1.119 -0.197 252 HE1 MET 27 HE1 MET 27 -3.257 -3.864 -0.171 253 HE2 MET 27 HE2 MET 27 -2.610 -3.771 1.468 254 HE3 MET 27 HE3 MET 27 -2.702 -2.319 0.472 255 H GLN 28 H GLN 28 -8.784 0.608 0.796 256 HA GLN 28 HA GLN 28 -11.351 -0.337 1.012 257 HB2 GLN 28 HB3 GLN 28 -10.315 1.460 2.383 258 HB3 GLN 28 HB2 GLN 28 -10.491 2.556 1.022 259 HG2 GLN 28 HG3 GLN 28 -12.956 2.188 1.151 260 HG3 GLN 28 HG2 GLN 28 -12.677 1.309 2.656 261 HE21 GLN 28 HE22 GLN 28 -14.141 3.796 2.196 262 HE22 GLN 28 HE21 GLN 28 -13.387 4.979 3.204 263 H ASP 29 H ASP 29 -10.264 2.301 -1.115 264 HA ASP 29 HA ASP 29 -12.844 2.569 -2.277 265 HB2 ASP 29 HB3 ASP 29 -10.197 3.859 -2.807 266 HB3 ASP 29 HB2 ASP 29 -11.562 4.124 -3.890 267 H VAL 30 H VAL 30 -10.154 0.576 -3.002 268 HA VAL 30 HA VAL 30 -10.852 0.066 -5.729 269 HB VAL 30 HB VAL 30 -9.240 -1.548 -3.741 270 HG11 VAL 30 HG11 VAL 30 -9.674 -2.090 -6.677 271 HG12 VAL 30 HG12 VAL 30 -10.257 -3.081 -5.338 272 HG13 VAL 30 HG13 VAL 30 -8.524 -2.930 -5.635 273 HG21 VAL 30 HG21 VAL 30 -7.348 -0.848 -5.126 274 HG22 VAL 30 HG22 VAL 30 -8.219 0.542 -4.476 275 HG23 VAL 30 HG23 VAL 30 -8.445 0.068 -6.160 276 H VAL 31 H VAL 31 -11.705 -1.320 -2.613 277 HA VAL 31 HA VAL 31 -13.379 -3.386 -3.691 278 HB VAL 31 HB VAL 31 -13.459 -2.242 -0.891 279 HG11 VAL 31 HG11 VAL 31 -15.331 -3.698 -1.455 280 HG12 VAL 31 HG12 VAL 31 -14.271 -4.460 -0.271 281 HG13 VAL 31 HG13 VAL 31 -14.206 -4.959 -1.961 282 HG21 VAL 31 HG21 VAL 31 -11.170 -2.852 -1.420 283 HG22 VAL 31 HG22 VAL 31 -11.706 -4.440 -1.968 284 HG23 VAL 31 HG23 VAL 31 -11.864 -3.993 -0.267 285 H ASN 32 H ASN 32 -13.731 -0.062 -2.807 286 HA ASN 32 HA ASN 32 -16.601 -0.026 -2.787 287 HB2 ASN 32 HB3 ASN 32 -14.482 2.119 -2.812 288 HB3 ASN 32 HB2 ASN 32 -16.190 2.511 -2.944 289 HD21 ASN 32 HD22 ASN 32 -14.219 3.172 -0.881 290 HD22 ASN 32 HD21 ASN 32 -14.891 2.567 0.601 291 H SER 33 H SER 33 -14.035 0.660 -5.068 292 HA SER 33 HA SER 33 -15.797 1.706 -7.068 293 HB2 SER 33 HB3 SER 33 -13.445 2.454 -6.888 294 HB3 SER 33 HB2 SER 33 -12.906 0.821 -7.268 295 HG SER 33 HG SER 33 -12.919 1.594 -9.231 296 H ASP 34 H ASP 34 -16.005 0.696 -9.215 297 HA ASP 34 HA ASP 34 -16.856 -2.011 -8.966 298 HB2 ASP 34 HB3 ASP 34 -17.513 0.025 -10.648 299 HB3 ASP 34 HB2 ASP 34 -16.488 -0.951 -11.696 300 H THR 35 H THR 35 -13.854 -0.791 -9.192 301 HA THR 35 HA THR 35 -12.443 -2.391 -10.969 302 HB THR 35 HB THR 35 -11.469 -1.628 -8.211 303 HG1 THR 35 HG1 THR 35 -11.041 0.417 -9.032 304 HG21 THR 35 HG21 THR 35 -9.300 -1.412 -9.327 305 HG22 THR 35 HG22 THR 35 -10.040 -1.856 -10.867 306 HG23 THR 35 HG23 THR 35 -9.961 -3.033 -9.557 307 H PHE 36 H PHE 36 -13.083 -3.004 -7.489 308 HA PHE 36 HA PHE 36 -13.128 -5.871 -8.100 309 HB2 PHE 36 HB3 PHE 36 -11.405 -4.518 -6.043 310 HB3 PHE 36 HB2 PHE 36 -11.913 -6.190 -5.838 311 HD1 PHE 36 HD2 PHE 36 -11.227 -7.895 -7.515 312 HD2 PHE 36 HD1 PHE 36 -9.660 -3.940 -7.533 313 HE1 PHE 36 HE2 PHE 36 -9.361 -8.645 -8.930 314 HE2 PHE 36 HE1 PHE 36 -7.791 -4.684 -8.947 315 HZ PHE 36 HZ PHE 36 -7.639 -7.038 -9.648 316 H LYS 37 H LYS 37 -15.091 -3.679 -7.376 317 HA LYS 37 HA LYS 37 -16.194 -4.091 -4.854 318 HB2 LYS 37 HB3 LYS 37 -16.887 -2.296 -6.360 319 HB3 LYS 37 HB2 LYS 37 -17.585 -3.470 -7.463 320 HG2 LYS 37 HG3 LYS 37 -19.260 -4.064 -5.825 321 HG3 LYS 37 HG2 LYS 37 -18.526 -2.972 -4.647 322 HD2 LYS 37 HD3 LYS 37 -20.496 -1.983 -5.755 323 HD3 LYS 37 HD2 LYS 37 -19.017 -1.066 -6.054 324 HE2 LYS 37 HE3 LYS 37 -18.795 -2.313 -8.218 325 HE3 LYS 37 HE2 LYS 37 -20.399 -2.980 -7.925 326 HZ1 LYS 37 HZ1 LYS 37 -21.325 -0.784 -7.969 327 HZ2 LYS 37 HZ2 LYS 37 -20.406 -1.014 -9.378 328 HZ3 LYS 37 HZ3 LYS 37 -19.789 -0.080 -8.101 329 H GLY 38 H GLY 38 -16.441 -6.017 -7.769 330 HA2 GLY 38 HA3 GLY 38 -18.534 -7.722 -6.759 331 HA3 GLY 38 HA2 GLY 38 -17.588 -7.977 -8.218 332 H GLN 39 H GLN 39 -15.317 -7.454 -5.981 333 HA GLN 39 HA GLN 39 -15.073 -10.318 -5.363 334 HB2 GLN 39 HB3 GLN 39 -12.941 -8.175 -5.513 335 HB3 GLN 39 HB2 GLN 39 -12.655 -9.850 -5.060 336 HG2 GLN 39 HG3 GLN 39 -13.665 -8.884 -7.725 337 HG3 GLN 39 HG2 GLN 39 -12.033 -9.446 -7.369 338 HE21 GLN 39 HE22 GLN 39 -13.959 -10.462 -9.296 339 HE22 GLN 39 HE21 GLN 39 -14.212 -12.128 -8.885 340 HA PRO 40 HA PRO 40 -15.985 -9.074 -1.179 341 HB2 PRO 40 HB2 PRO 40 -15.190 -11.846 -0.550 342 HB3 PRO 40 HB3 PRO 40 -16.728 -11.024 -0.266 343 HG2 PRO 40 HG3 PRO 40 -16.485 -12.905 -2.154 344 HG3 PRO 40 HG2 PRO 40 -17.517 -11.481 -2.390 345 HD2 PRO 40 HD3 PRO 40 -14.761 -12.020 -3.447 346 HD3 PRO 40 HD2 PRO 40 -16.165 -11.309 -4.274 347 H ILE 41 H ILE 41 -13.284 -11.419 -1.461 348 HA ILE 41 HA ILE 41 -11.688 -9.621 0.250 349 HB ILE 41 HB ILE 41 -11.402 -12.613 0.398 350 HG12 ILE 41 HG13 ILE 41 -13.767 -12.094 0.936 351 HG13 ILE 41 HG12 ILE 41 -12.874 -12.683 2.333 352 HG21 ILE 41 HG21 ILE 41 -9.608 -11.324 1.345 353 HG22 ILE 41 HG22 ILE 41 -10.530 -12.068 2.650 354 HG23 ILE 41 HG23 ILE 41 -10.745 -10.357 2.282 355 HD11 ILE 41 HD11 ILE 41 -13.609 -9.824 1.751 356 HD12 ILE 41 HD12 ILE 41 -12.635 -10.364 3.118 357 HD13 ILE 41 HD13 ILE 41 -14.318 -10.873 2.978 358 H PHE 42 H PHE 42 -9.301 -10.061 0.068 359 HA PHE 42 HA PHE 42 -8.620 -10.768 -2.706 360 HB2 PHE 42 HB3 PHE 42 -7.283 -8.861 -0.778 361 HB3 PHE 42 HB2 PHE 42 -6.611 -9.299 -2.340 362 HD1 PHE 42 HD2 PHE 42 -7.928 -8.753 -4.419 363 HD2 PHE 42 HD1 PHE 42 -8.852 -7.159 -0.586 364 HE1 PHE 42 HE2 PHE 42 -9.199 -6.937 -5.485 365 HE2 PHE 42 HE1 PHE 42 -10.119 -5.342 -1.643 366 HZ PHE 42 HZ PHE 42 -10.297 -5.226 -4.095 367 H ASP 43 H ASP 43 -5.805 -10.818 -2.265 368 HA ASP 43 HA ASP 43 -5.347 -13.040 -0.437 369 HB2 ASP 43 HB3 ASP 43 -4.118 -14.246 -2.281 370 HB3 ASP 43 HB2 ASP 43 -5.866 -14.186 -2.483 371 H HIS 44 H HIS 44 -2.797 -13.655 -0.906 372 HA HIS 44 HA HIS 44 -1.440 -11.249 -0.031 373 HB2 HIS 44 HB3 HIS 44 -0.785 -14.157 -0.069 374 HB3 HIS 44 HB2 HIS 44 0.549 -13.011 -0.016 375 HD1 HIS 44 HD1 HIS 44 1.336 -12.818 2.307 376 HD2 HIS 44 HD2 HIS 44 -2.809 -13.140 2.113 377 HE1 HIS 44 HE1 HIS 44 0.527 -12.646 4.687 378 HE2 HIS 44 HE2 HIS 44 -1.984 -12.873 4.558 379 H ALA 45 H ALA 45 -1.709 -13.084 -2.952 380 HA ALA 45 HA ALA 45 0.648 -12.058 -4.200 381 HB1 ALA 45 HB1 ALA 45 -1.886 -13.107 -5.465 382 HB2 ALA 45 HB2 ALA 45 -0.471 -14.070 -5.039 383 HB3 ALA 45 HB3 ALA 45 -0.353 -12.834 -6.293 384 H HIS 46 H HIS 46 -2.733 -11.091 -4.027 385 HA HIS 46 HA HIS 46 -2.474 -8.745 -5.590 386 HB2 HIS 46 HB3 HIS 46 -4.481 -9.788 -3.655 387 HB3 HIS 46 HB2 HIS 46 -4.515 -8.063 -4.013 388 HD1 HIS 46 HD1 HIS 46 -5.573 -11.313 -5.332 389 HD2 HIS 46 HD2 HIS 46 -4.869 -7.498 -6.836 390 HE1 HIS 46 HE1 HIS 46 -6.694 -11.248 -7.582 391 HE2 HIS 46 HE2 HIS 46 -6.020 -9.025 -8.568 392 H THR 47 H THR 47 -1.707 -9.478 -2.264 393 HA THR 47 HA THR 47 -1.354 -6.901 -1.264 394 HB THR 47 HB THR 47 0.326 -9.356 -0.719 395 HG1 THR 47 HG1 THR 47 -1.819 -8.225 0.782 396 HG21 THR 47 HG21 THR 47 1.546 -7.356 -0.082 397 HG22 THR 47 HG22 THR 47 0.976 -8.192 1.363 398 HG23 THR 47 HG23 THR 47 0.141 -6.745 0.793 399 H ARG 48 H ARG 48 1.184 -9.003 -2.659 400 HA ARG 48 HA ARG 48 3.099 -6.955 -2.775 401 HB2 ARG 48 HB3 ARG 48 4.260 -8.493 -4.448 402 HB3 ARG 48 HB2 ARG 48 3.975 -9.119 -2.833 403 HG2 ARG 48 HG3 ARG 48 2.093 -10.409 -3.626 404 HG3 ARG 48 HG2 ARG 48 2.268 -9.714 -5.240 405 HD2 ARG 48 HD3 ARG 48 4.344 -10.794 -5.583 406 HD3 ARG 48 HD2 ARG 48 4.476 -11.238 -3.884 407 HE ARG 48 HE ARG 48 2.421 -12.674 -4.393 408 HH11 ARG 48 HH11 ARG 48 4.923 -11.939 -6.737 409 HH12 ARG 48 HH12 ARG 48 4.753 -13.453 -7.580 410 HH21 ARG 48 HH22 ARG 48 2.181 -14.649 -5.504 411 HH22 ARG 48 HH21 ARG 48 3.176 -14.990 -6.888 412 H GLU 49 H GLU 49 0.643 -7.960 -5.060 413 HA GLU 49 HA GLU 49 1.542 -6.519 -7.293 414 HB2 GLU 49 HB3 GLU 49 -0.223 -8.222 -7.399 415 HB3 GLU 49 HB2 GLU 49 -1.287 -7.187 -6.459 416 HG2 GLU 49 HG3 GLU 49 -1.490 -5.631 -8.221 417 HG3 GLU 49 HG2 GLU 49 -0.162 -6.366 -9.117 418 H PHE 50 H PHE 50 -0.742 -5.575 -4.712 419 HA PHE 50 HA PHE 50 -1.044 -2.922 -5.731 420 HB2 PHE 50 HB3 PHE 50 -1.835 -4.214 -3.129 421 HB3 PHE 50 HB2 PHE 50 -2.099 -2.502 -3.437 422 HD1 PHE 50 HD1 PHE 50 -2.784 -2.779 -6.389 423 HD2 PHE 50 HD2 PHE 50 -4.087 -4.892 -2.933 424 HE1 PHE 50 HE1 PHE 50 -4.913 -3.287 -7.509 425 HE2 PHE 50 HE2 PHE 50 -6.222 -5.406 -4.047 426 HZ PHE 50 HZ PHE 50 -6.634 -4.602 -6.341 427 H ILE 51 H ILE 51 0.922 -4.374 -3.175 428 HA ILE 51 HA ILE 51 1.821 -1.932 -2.078 429 HB ILE 51 HB ILE 51 3.123 -4.653 -1.990 430 HG12 ILE 51 HG13 ILE 51 0.916 -4.617 -0.956 431 HG13 ILE 51 HG12 ILE 51 2.155 -4.731 0.288 432 HG21 ILE 51 HG21 ILE 51 4.397 -3.798 -0.086 433 HG22 ILE 51 HG22 ILE 51 3.693 -2.200 -0.330 434 HG23 ILE 51 HG23 ILE 51 4.757 -2.890 -1.555 435 HD11 ILE 51 HD11 ILE 51 0.680 -2.229 -0.502 436 HD12 ILE 51 HD12 ILE 51 1.904 -2.354 0.760 437 HD13 ILE 51 HD13 ILE 51 0.371 -3.209 0.932 438 H GLN 52 H GLN 52 3.196 -4.077 -4.547 439 HA GLN 52 HA GLN 52 5.605 -2.675 -4.924 440 HB2 GLN 52 HB3 GLN 52 5.274 -4.946 -5.765 441 HB3 GLN 52 HB2 GLN 52 4.043 -4.372 -6.879 442 HG2 GLN 52 HG3 GLN 52 6.124 -4.766 -8.038 443 HG3 GLN 52 HG2 GLN 52 5.722 -3.049 -8.059 444 HE21 GLN 52 HE22 GLN 52 6.983 -1.607 -6.900 445 HE22 GLN 52 HE21 GLN 52 8.532 -2.038 -6.264 446 H SER 53 H SER 53 2.478 -2.439 -6.605 447 HA SER 53 HA SER 53 3.360 -0.486 -8.459 448 HB2 SER 53 HB3 SER 53 0.860 -0.139 -8.806 449 HB3 SER 53 HB2 SER 53 1.468 -1.772 -9.080 450 HG SER 53 HG SER 53 0.463 -2.471 -7.321 451 H PHE 54 H PHE 54 1.923 -0.301 -5.260 452 HA PHE 54 HA PHE 54 1.312 2.436 -5.222 453 HB2 PHE 54 HB3 PHE 54 0.572 0.813 -3.502 454 HB3 PHE 54 HB2 PHE 54 2.226 0.699 -2.917 455 HD1 PHE 54 HD1 PHE 54 -0.634 3.006 -3.325 456 HD2 PHE 54 HD2 PHE 54 3.079 2.259 -1.382 457 HE1 PHE 54 HE1 PHE 54 -1.053 4.896 -1.806 458 HE2 PHE 54 HE2 PHE 54 2.667 4.148 0.140 459 HZ PHE 54 HZ PHE 54 0.598 5.469 -0.069 460 H ILE 55 H ILE 55 4.316 0.713 -4.529 461 HA ILE 55 HA ILE 55 5.714 3.122 -3.773 462 HB ILE 55 HB ILE 55 6.773 0.344 -4.324 463 HG12 ILE 55 HG13 ILE 55 6.185 1.759 -1.713 464 HG13 ILE 55 HG12 ILE 55 5.210 0.474 -2.417 465 HG21 ILE 55 HG21 ILE 55 8.123 2.718 -3.041 466 HG22 ILE 55 HG22 ILE 55 8.512 2.022 -4.614 467 HG23 ILE 55 HG23 ILE 55 8.792 1.089 -3.143 468 HD11 ILE 55 HD11 ILE 55 7.078 -1.075 -2.178 469 HD12 ILE 55 HD12 ILE 55 6.623 -0.362 -0.632 470 HD13 ILE 55 HD13 ILE 55 8.057 0.215 -1.479 471 H GLU 56 H GLU 56 5.535 1.011 -6.606 472 HA GLU 56 HA GLU 56 7.596 2.296 -8.078 473 HB2 GLU 56 HB3 GLU 56 6.675 0.007 -8.545 474 HB3 GLU 56 HB2 GLU 56 5.225 0.771 -9.178 475 HG2 GLU 56 HG3 GLU 56 6.508 1.832 -10.930 476 HG3 GLU 56 HG2 GLU 56 8.002 1.173 -10.267 477 H ARG 57 H ARG 57 4.382 3.126 -7.340 478 HA ARG 57 HA ARG 57 3.557 4.755 -9.414 479 HB2 ARG 57 HB3 ARG 57 2.244 4.140 -7.391 480 HB3 ARG 57 HB2 ARG 57 3.215 5.264 -6.454 481 HG2 ARG 57 HG3 ARG 57 2.353 6.922 -8.371 482 HG3 ARG 57 HG2 ARG 57 1.012 5.773 -8.344 483 HD2 ARG 57 HD3 ARG 57 0.303 7.219 -6.722 484 HD3 ARG 57 HD2 ARG 57 1.246 6.106 -5.730 485 HE ARG 57 HE ARG 57 1.899 8.856 -6.407 486 HH11 ARG 57 HH11 ARG 57 3.025 5.837 -4.988 487 HH12 ARG 57 HH12 ARG 57 4.410 6.574 -4.236 488 HH21 ARG 57 HH22 ARG 57 3.706 9.805 -5.405 489 HH22 ARG 57 HH21 ARG 57 4.779 8.816 -4.450 490 H ASP 58 H ASP 58 5.877 5.414 -6.838 491 HA ASP 58 HA ASP 58 6.031 8.209 -7.205 492 HB2 ASP 58 HB3 ASP 58 7.791 6.190 -5.873 493 HB3 ASP 58 HB2 ASP 58 8.396 7.823 -6.130 494 H ASP 59 H ASP 59 7.373 5.591 -9.007 495 HA ASP 59 HA ASP 59 9.512 7.030 -10.219 496 HB2 ASP 59 HB3 ASP 59 9.493 4.595 -10.269 497 HB3 ASP 59 HB2 ASP 59 7.990 4.599 -11.188 498 H THR 60 H THR 60 6.113 6.997 -10.640 499 HA THR 60 HA THR 60 6.111 8.015 -13.330 500 HB THR 60 HB THR 60 3.837 8.092 -11.336 501 HG1 THR 60 HG1 THR 60 4.951 5.948 -11.882 502 HG21 THR 60 HG21 THR 60 3.884 8.033 -14.359 503 HG22 THR 60 HG22 THR 60 3.491 9.432 -13.360 504 HG23 THR 60 HG23 THR 60 2.436 8.018 -13.354 505 H GLU 61 H GLU 61 6.145 9.337 -10.086 506 HA GLU 61 HA GLU 61 5.760 12.047 -11.037 507 HB2 GLU 61 HB3 GLU 61 6.486 10.962 -8.311 508 HB3 GLU 61 HB2 GLU 61 6.280 12.673 -8.665 509 HG2 GLU 61 HG3 GLU 61 3.954 12.131 -9.429 510 HG3 GLU 61 HG2 GLU 61 4.202 10.508 -8.786 511 H LEU 62 H LEU 62 8.377 9.941 -10.002 512 HA LEU 62 HA LEU 62 10.488 11.789 -10.291 513 HB2 LEU 62 HB3 LEU 62 10.769 9.602 -9.219 514 HB3 LEU 62 HB2 LEU 62 10.451 8.800 -10.745 515 HG LEU 62 HG LEU 62 12.517 9.816 -11.675 516 HD11 LEU 62 HD11 LEU 62 12.951 10.752 -8.842 517 HD12 LEU 62 HD12 LEU 62 12.645 11.778 -10.242 518 HD13 LEU 62 HD13 LEU 62 14.132 10.834 -10.150 519 HD21 LEU 62 HD21 LEU 62 12.882 8.201 -9.154 520 HD22 LEU 62 HD22 LEU 62 14.074 8.390 -10.440 521 HD23 LEU 62 HD23 LEU 62 12.552 7.562 -10.764 522 H ASP 63 H ASP 63 8.552 10.011 -12.534 523 HA ASP 63 HA ASP 63 10.128 10.190 -14.848 524 HB2 ASP 63 HB3 ASP 63 8.124 8.746 -14.599 525 HB3 ASP 63 HB2 ASP 63 7.111 10.184 -14.639 526 H GLU 64 H GLU 64 7.930 12.443 -13.298 527 HA GLU 64 HA GLU 64 7.856 14.407 -15.304 528 HB2 GLU 64 HB3 GLU 64 7.797 14.762 -12.298 529 HB3 GLU 64 HB2 GLU 64 7.329 15.981 -13.474 530 HG2 GLU 64 HG3 GLU 64 5.505 14.554 -14.234 531 HG3 GLU 64 HG2 GLU 64 5.983 13.319 -13.072 532 H LEU 65 H LEU 65 10.043 13.946 -12.549 533 HA LEU 65 HA LEU 65 11.724 16.141 -13.072 534 HB2 LEU 65 HB3 LEU 65 12.326 13.534 -11.670 535 HB3 LEU 65 HB2 LEU 65 13.356 14.952 -11.628 536 HG LEU 65 HG LEU 65 10.539 14.821 -10.541 537 HD11 LEU 65 HD11 LEU 65 13.198 14.826 -9.118 538 HD12 LEU 65 HD12 LEU 65 12.075 13.470 -9.224 539 HD13 LEU 65 HD13 LEU 65 11.615 14.928 -8.344 540 HD21 LEU 65 HD21 LEU 65 11.071 16.996 -9.556 541 HD22 LEU 65 HD22 LEU 65 11.150 17.050 -11.317 542 HD23 LEU 65 HD23 LEU 65 12.637 16.983 -10.369 543 H LYS 66 H LYS 66 11.490 13.026 -14.522 544 HA LYS 66 HA LYS 66 14.092 12.977 -15.714 545 HB2 LYS 66 HB3 LYS 66 11.558 11.519 -16.503 546 HB3 LYS 66 HB2 LYS 66 13.165 11.166 -17.115 547 HG2 LYS 66 HG3 LYS 66 13.883 10.377 -14.984 548 HG3 LYS 66 HG2 LYS 66 12.405 10.957 -14.211 549 HD2 LYS 66 HD3 LYS 66 11.121 9.396 -15.700 550 HD3 LYS 66 HD2 LYS 66 12.665 8.727 -16.228 551 HE2 LYS 66 HE3 LYS 66 13.165 7.947 -14.029 552 HE3 LYS 66 HE2 LYS 66 11.798 8.828 -13.344 553 HZ1 LYS 66 HZ1 LYS 66 11.595 6.552 -15.257 554 HZ2 LYS 66 HZ2 LYS 66 10.296 7.388 -14.562 555 HZ3 LYS 66 HZ3 LYS 66 11.315 6.460 -13.582 556 H LYS 67 H LYS 67 10.840 13.873 -16.836 557 HA LYS 67 HA LYS 67 11.902 14.463 -19.481 558 HB2 LYS 67 HB3 LYS 67 9.086 14.337 -18.409 559 HB3 LYS 67 HB2 LYS 67 9.484 14.740 -20.076 560 HG2 LYS 67 HG3 LYS 67 10.354 12.599 -20.499 561 HG3 LYS 67 HG2 LYS 67 10.418 12.203 -18.782 562 HD2 LYS 67 HD3 LYS 67 7.966 12.238 -18.695 563 HD3 LYS 67 HD2 LYS 67 7.919 12.598 -20.424 564 HE2 LYS 67 HE3 LYS 67 8.842 10.494 -20.982 565 HE3 LYS 67 HE2 LYS 67 9.307 10.175 -19.313 566 HZ1 LYS 67 HZ1 LYS 67 6.967 10.047 -18.723 567 HZ2 LYS 67 HZ2 LYS 67 7.357 8.910 -19.922 568 HZ3 LYS 67 HZ3 LYS 67 6.523 10.328 -20.337 569 H LYS 68 H LYS 68 11.127 16.207 -16.644 570 HA LYS 68 HA LYS 68 10.583 18.683 -18.031 571 HB2 LYS 68 HB3 LYS 68 11.116 18.118 -15.114 572 HB3 LYS 68 HB2 LYS 68 10.747 19.713 -15.755 573 HG2 LYS 68 HG3 LYS 68 8.581 18.858 -16.560 574 HG3 LYS 68 HG2 LYS 68 8.953 17.296 -15.826 575 HD2 LYS 68 HD3 LYS 68 9.198 18.501 -13.635 576 HD3 LYS 68 HD2 LYS 68 8.568 19.942 -14.435 577 HE2 LYS 68 HE3 LYS 68 7.162 17.300 -14.079 578 HE3 LYS 68 HE2 LYS 68 6.780 18.819 -13.271 579 HZ1 LYS 68 HZ1 LYS 68 6.465 18.184 -16.153 580 HZ2 LYS 68 HZ2 LYS 68 6.302 19.749 -15.518 581 HZ3 LYS 68 HZ3 LYS 68 5.240 18.519 -15.029 582 H ARG 69 H ARG 69 13.254 16.988 -17.988 583 HA ARG 69 HA ARG 69 15.201 18.956 -17.226 584 HB2 ARG 69 HB3 ARG 69 15.492 16.432 -18.863 585 HB3 ARG 69 HB2 ARG 69 16.828 17.437 -18.318 586 HG2 ARG 69 HG3 ARG 69 16.292 16.948 -16.009 587 HG3 ARG 69 HG2 ARG 69 14.890 15.999 -16.516 588 HD2 ARG 69 HD3 ARG 69 16.344 14.448 -17.692 589 HD3 ARG 69 HD2 ARG 69 17.753 15.411 -17.258 590 HE ARG 69 HE ARG 69 16.539 14.739 -14.877 591 HH11 ARG 69 HH11 ARG 69 17.863 13.010 -17.613 592 HH12 ARG 69 HH12 ARG 69 18.454 11.681 -16.657 593 HH21 ARG 69 HH22 ARG 69 17.307 12.988 -13.604 594 HH22 ARG 69 HH21 ARG 69 18.128 11.661 -14.379 595 H ARG 70 H ARG 70 13.043 19.169 -19.539 596 HA ARG 70 HA ARG 70 14.552 19.944 -21.818 597 HB2 ARG 70 HB3 ARG 70 11.816 20.922 -20.979 598 HB3 ARG 70 HB2 ARG 70 12.507 21.004 -22.595 599 HG2 ARG 70 HG3 ARG 70 12.593 18.498 -22.576 600 HG3 ARG 70 HG2 ARG 70 11.655 18.551 -21.082 601 HD2 ARG 70 HD3 ARG 70 9.916 19.850 -22.287 602 HD3 ARG 70 HD2 ARG 70 10.835 19.628 -23.775 603 HE ARG 70 HE ARG 70 9.126 17.725 -22.498 604 HH11 ARG 70 HH11 ARG 70 11.967 18.054 -24.524 605 HH12 ARG 70 HH12 ARG 70 11.795 16.478 -25.238 606 HH21 ARG 70 HH22 ARG 70 8.877 15.671 -23.456 607 HH22 ARG 70 HH21 ARG 70 10.019 15.145 -24.664 608 H SER 71 H SER 71 13.818 21.373 -18.794 609 HA SER 71 HA SER 71 14.595 24.042 -19.448 610 HB2 SER 71 HB3 SER 71 14.777 22.708 -16.736 611 HB3 SER 71 HB2 SER 71 14.561 24.423 -17.083 612 HG SER 71 HG SER 71 12.703 22.417 -16.927 613 H ASN 72 H ASN 72 16.676 25.003 -18.961 614 HA ASN 72 HA ASN 72 18.820 23.085 -19.408 615 HB2 ASN 72 HB3 ASN 72 18.714 26.099 -19.581 616 HB3 ASN 72 HB2 ASN 72 20.215 25.189 -19.729 617 HD21 ASN 72 HD22 ASN 72 18.924 26.868 -21.706 618 HD22 ASN 72 HD21 ASN 72 18.603 25.855 -23.075 619 H ARG 73 H ARG 73 17.352 23.657 -16.831 620 HA ARG 73 HA ARG 73 19.763 23.715 -15.183 621 HB2 ARG 73 HB3 ARG 73 17.186 24.991 -14.269 622 HB3 ARG 73 HB2 ARG 73 18.779 25.121 -13.535 623 HG2 ARG 73 HG3 ARG 73 19.560 26.423 -15.446 624 HG3 ARG 73 HG2 ARG 73 17.970 26.283 -16.195 625 HD2 ARG 73 HD3 ARG 73 17.100 27.360 -14.019 626 HD3 ARG 73 HD2 ARG 73 18.782 27.826 -13.757 627 HE ARG 73 HE ARG 73 17.159 28.641 -16.083 628 HH11 ARG 73 HH11 ARG 73 19.782 29.232 -13.825 629 HH12 ARG 73 HH12 ARG 73 20.112 30.821 -14.448 630 HH21 ARG 73 HH22 ARG 73 17.592 30.701 -16.896 631 HH22 ARG 73 HH21 ARG 73 18.865 31.663 -16.196 632 HA PRO 74 HA PRO 74 17.255 19.827 -14.572 633 HB2 PRO 74 HB2 PRO 74 19.982 18.935 -13.805 634 HB3 PRO 74 HB3 PRO 74 18.789 18.146 -14.842 635 HG2 PRO 74 HG3 PRO 74 20.938 19.331 -15.881 636 HG3 PRO 74 HG2 PRO 74 19.362 19.414 -16.692 637 HD2 PRO 74 HD3 PRO 74 20.783 21.493 -15.083 638 HD3 PRO 74 HD2 PRO 74 19.785 21.674 -16.541 639 HA PRO 75 HA PRO 75 16.989 20.581 -10.193 640 HB2 PRO 75 HB2 PRO 75 15.279 18.245 -10.003 641 HB3 PRO 75 HB3 PRO 75 14.850 19.952 -9.838 642 HG2 PRO 75 HG3 PRO 75 14.054 18.405 -11.940 643 HG3 PRO 75 HG2 PRO 75 14.281 20.160 -12.049 644 HD2 PRO 75 HD3 PRO 75 16.089 17.952 -12.948 645 HD3 PRO 75 HD2 PRO 75 15.731 19.506 -13.730 646 H SER 76 H SER 76 19.215 19.856 -9.868 647 HA SER 76 HA SER 76 19.945 17.182 -9.497 648 HB2 SER 76 HB3 SER 76 21.774 18.237 -8.022 649 HB3 SER 76 HB2 SER 76 21.698 18.754 -9.708 650 HG SER 76 HG SER 76 21.851 20.588 -8.478 651 H ASN 77 H ASN 77 19.124 19.625 -7.040 652 HA ASN 77 HA ASN 77 19.187 17.850 -4.863 653 HB2 ASN 77 HB3 ASN 77 19.394 20.242 -4.542 654 HB3 ASN 77 HB2 ASN 77 17.773 20.501 -5.174 655 HD21 ASN 77 HD22 ASN 77 16.030 20.208 -3.859 656 HD22 ASN 77 HD21 ASN 77 16.159 19.868 -2.169 657 H ARG 78 H ARG 78 16.474 18.949 -6.876 658 HA ARG 78 HA ARG 78 14.455 17.788 -5.287 659 HB2 ARG 78 HB3 ARG 78 14.478 18.580 -8.195 660 HB3 ARG 78 HB2 ARG 78 13.046 17.968 -7.380 661 HG2 ARG 78 HG3 ARG 78 13.265 19.839 -5.746 662 HG3 ARG 78 HG2 ARG 78 14.563 20.488 -6.752 663 HD2 ARG 78 HD3 ARG 78 13.060 20.733 -8.616 664 HD3 ARG 78 HD2 ARG 78 11.764 19.936 -7.728 665 HE ARG 78 HE ARG 78 12.849 22.618 -7.149 666 HH11 ARG 78 HH11 ARG 78 10.318 20.215 -6.867 667 HH12 ARG 78 HH12 ARG 78 9.190 21.293 -6.102 668 HH21 ARG 78 HH22 ARG 78 11.366 24.050 -6.131 669 HH22 ARG 78 HH21 ARG 78 9.797 23.462 -5.668 670 H GLN 79 H GLN 79 16.247 16.533 -8.082 671 HA GLN 79 HA GLN 79 14.792 14.109 -8.273 672 HB2 GLN 79 HB3 GLN 79 16.112 14.852 -10.143 673 HB3 GLN 79 HB2 GLN 79 17.580 14.841 -9.175 674 HG2 GLN 79 HG3 GLN 79 17.494 12.436 -9.007 675 HG3 GLN 79 HG2 GLN 79 15.956 12.404 -9.869 676 HE21 GLN 79 HE22 GLN 79 18.588 11.203 -10.459 677 HE22 GLN 79 HE21 GLN 79 18.981 11.744 -12.057 678 H VAL 80 H VAL 80 17.705 15.059 -6.530 679 HA VAL 80 HA VAL 80 18.327 12.489 -5.505 680 HB VAL 80 HB VAL 80 18.984 15.228 -4.392 681 HG11 VAL 80 HG11 VAL 80 19.047 13.564 -2.601 682 HG12 VAL 80 HG12 VAL 80 20.672 14.104 -3.018 683 HG13 VAL 80 HG13 VAL 80 20.091 12.537 -3.582 684 HG21 VAL 80 HG21 VAL 80 19.969 14.769 -6.570 685 HG22 VAL 80 HG22 VAL 80 20.627 13.247 -5.967 686 HG23 VAL 80 HG23 VAL 80 21.210 14.780 -5.316 687 H LEU 81 H LEU 81 16.295 15.114 -4.299 688 HA LEU 81 HA LEU 81 15.689 14.060 -1.778 689 HB2 LEU 81 HB3 LEU 81 15.183 16.365 -2.532 690 HB3 LEU 81 HB2 LEU 81 13.925 15.730 -3.572 691 HG LEU 81 HG LEU 81 12.723 14.900 -1.570 692 HD11 LEU 81 HD11 LEU 81 13.400 15.688 0.640 693 HD12 LEU 81 HD12 LEU 81 14.861 16.392 -0.053 694 HD13 LEU 81 HD13 LEU 81 14.630 14.643 -0.074 695 HD21 LEU 81 HD21 LEU 81 11.981 17.104 -0.788 696 HD22 LEU 81 HD22 LEU 81 12.144 17.051 -2.543 697 HD23 LEU 81 HD23 LEU 81 13.380 17.844 -1.567 698 H LEU 82 H LEU 82 14.138 13.574 -4.921 699 HA LEU 82 HA LEU 82 11.997 11.957 -4.080 700 HB2 LEU 82 HB3 LEU 82 12.587 13.032 -6.404 701 HB3 LEU 82 HB2 LEU 82 13.419 11.521 -6.690 702 HG LEU 82 HG LEU 82 11.193 11.541 -7.702 703 HD11 LEU 82 HD11 LEU 82 11.358 9.621 -5.388 704 HD12 LEU 82 HD12 LEU 82 12.098 9.400 -6.975 705 HD13 LEU 82 HD13 LEU 82 10.341 9.443 -6.819 706 HD21 LEU 82 HD21 LEU 82 9.186 11.542 -6.308 707 HD22 LEU 82 HD22 LEU 82 10.081 13.055 -6.177 708 HD23 LEU 82 HD23 LEU 82 10.178 11.859 -4.885 709 H GLN 83 H GLN 83 15.258 11.153 -5.186 710 HA GLN 83 HA GLN 83 15.133 8.376 -5.025 711 HB2 GLN 83 HB3 GLN 83 16.975 9.461 -6.123 712 HB3 GLN 83 HB2 GLN 83 17.447 10.278 -4.639 713 HG2 GLN 83 HG3 GLN 83 17.937 8.048 -3.650 714 HG3 GLN 83 HG2 GLN 83 17.630 7.338 -5.233 715 HE21 GLN 83 HE22 GLN 83 19.726 6.559 -5.364 716 HE22 GLN 83 HE21 GLN 83 21.082 7.599 -5.663 717 H GLN 84 H GLN 84 16.167 10.724 -2.563 718 HA GLN 84 HA GLN 84 17.040 8.943 -0.621 719 HB2 GLN 84 HB3 GLN 84 15.773 11.663 -0.281 720 HB3 GLN 84 HB2 GLN 84 16.595 10.787 1.003 721 HG2 GLN 84 HG3 GLN 84 17.856 11.681 -1.580 722 HG3 GLN 84 HG2 GLN 84 18.006 12.502 -0.028 723 HE21 GLN 84 HE22 GLN 84 20.032 11.293 -1.777 724 HE22 GLN 84 HE21 GLN 84 20.878 10.155 -0.791 725 H ARG 85 H ARG 85 13.768 10.281 -1.074 726 HA ARG 85 HA ARG 85 12.698 9.046 1.246 727 HB2 ARG 85 HB3 ARG 85 11.738 10.956 -0.353 728 HB3 ARG 85 HB2 ARG 85 10.916 9.582 -1.082 729 HG2 ARG 85 HG3 ARG 85 10.336 9.076 1.464 730 HG3 ARG 85 HG2 ARG 85 10.542 10.825 1.580 731 HD2 ARG 85 HD3 ARG 85 8.285 10.615 1.106 732 HD3 ARG 85 HD2 ARG 85 8.984 10.895 -0.490 733 HE ARG 85 HE ARG 85 8.375 8.176 0.501 734 HH11 ARG 85 HH11 ARG 85 8.019 10.682 -1.933 735 HH12 ARG 85 HH12 ARG 85 7.315 9.604 -3.109 736 HH21 ARG 85 HH22 ARG 85 7.436 6.778 -1.018 737 HH22 ARG 85 HH21 ARG 85 6.958 7.392 -2.585 738 H ARG 86 H ARG 86 12.826 8.105 -2.165 739 HA ARG 86 HA ARG 86 11.184 5.830 -1.950 740 HB2 ARG 86 HB3 ARG 86 11.730 6.859 -4.109 741 HB3 ARG 86 HB2 ARG 86 13.411 6.377 -3.922 742 HG2 ARG 86 HG3 ARG 86 12.816 4.053 -4.054 743 HG3 ARG 86 HG2 ARG 86 11.099 4.453 -4.063 744 HD2 ARG 86 HD3 ARG 86 11.822 3.938 -6.308 745 HD3 ARG 86 HD2 ARG 86 11.415 5.647 -6.194 746 HE ARG 86 HE ARG 86 14.139 5.468 -5.731 747 HH11 ARG 86 HH11 ARG 86 11.944 4.627 -8.336 748 HH12 ARG 86 HH12 ARG 86 13.114 4.929 -9.590 749 HH21 ARG 86 HH22 ARG 86 15.675 5.859 -7.366 750 HH22 ARG 86 HH21 ARG 86 15.242 5.638 -9.038 751 H ASP 87 H ASP 87 14.719 6.191 -1.763 752 HA ASP 87 HA ASP 87 15.294 3.453 -1.495 753 HB2 ASP 87 HB3 ASP 87 16.774 5.970 -0.991 754 HB3 ASP 87 HB2 ASP 87 17.371 4.529 -0.173 755 H GLN 88 H GLN 88 14.471 5.892 0.918 756 HA GLN 88 HA GLN 88 15.027 4.324 3.198 757 HB2 GLN 88 HB3 GLN 88 14.604 6.767 3.291 758 HB3 GLN 88 HB2 GLN 88 12.915 6.471 2.897 759 HG2 GLN 88 HG3 GLN 88 12.783 5.057 4.962 760 HG3 GLN 88 HG2 GLN 88 14.392 5.637 5.377 761 HE21 GLN 88 HE22 GLN 88 11.891 5.949 6.792 762 HE22 GLN 88 HE21 GLN 88 11.644 7.645 6.985 763 H GLU 89 H GLU 89 12.110 4.714 1.240 764 HA GLU 89 HA GLU 89 10.525 3.033 2.921 765 HB2 GLU 89 HB3 GLU 89 10.008 3.982 0.099 766 HB3 GLU 89 HB2 GLU 89 8.819 3.257 1.178 767 HG2 GLU 89 HG3 GLU 89 9.158 5.114 2.756 768 HG3 GLU 89 HG2 GLU 89 10.275 5.852 1.613 769 H LEU 90 H LEU 90 12.554 2.519 0.125 770 HA LEU 90 HA LEU 90 11.741 -0.136 -0.424 771 HB2 LEU 90 HB3 LEU 90 14.416 1.216 -0.799 772 HB3 LEU 90 HB2 LEU 90 14.039 -0.390 -1.395 773 HG LEU 90 HG LEU 90 12.654 2.156 -2.245 774 HD11 LEU 90 HD11 LEU 90 13.797 1.794 -4.378 775 HD12 LEU 90 HD12 LEU 90 14.648 0.413 -3.688 776 HD13 LEU 90 HD13 LEU 90 14.946 2.034 -3.062 777 HD21 LEU 90 HD21 LEU 90 11.606 0.750 -3.948 778 HD22 LEU 90 HD22 LEU 90 11.174 0.220 -2.324 779 HD23 LEU 90 HD23 LEU 90 12.378 -0.675 -3.250 780 H LYS 91 H LYS 91 13.861 1.299 1.949 781 HA LYS 91 HA LYS 91 14.913 -1.151 2.946 782 HB2 LYS 91 HB3 LYS 91 16.019 1.019 3.316 783 HB3 LYS 91 HB2 LYS 91 14.659 1.549 4.294 784 HG2 LYS 91 HG3 LYS 91 16.183 -0.911 5.035 785 HG3 LYS 91 HG2 LYS 91 16.804 0.689 5.445 786 HD2 LYS 91 HD3 LYS 91 15.029 1.150 6.869 787 HD3 LYS 91 HD2 LYS 91 13.987 -0.064 6.123 788 HE2 LYS 91 HE3 LYS 91 16.442 -0.650 7.768 789 HE3 LYS 91 HE2 LYS 91 14.784 -0.723 8.360 790 HZ1 LYS 91 HZ1 LYS 91 16.035 -2.447 6.278 791 HZ2 LYS 91 HZ2 LYS 91 14.368 -2.423 6.604 792 HZ3 LYS 91 HZ3 LYS 91 15.450 -2.911 7.807 793 H GLU 92 H GLU 92 12.173 0.912 3.828 794 HA GLU 92 HA GLU 92 11.217 -0.586 6.004 795 HB2 GLU 92 HB3 GLU 92 10.387 1.660 5.481 796 HB3 GLU 92 HB2 GLU 92 9.699 1.074 3.973 797 HG2 GLU 92 HG3 GLU 92 8.092 -0.256 5.157 798 HG3 GLU 92 HG2 GLU 92 8.848 0.135 6.701 799 H PHE 93 H PHE 93 10.803 -0.891 2.557 800 HA PHE 93 HA PHE 93 8.894 -2.921 2.420 801 HB2 PHE 93 HB3 PHE 93 9.885 -1.466 0.574 802 HB3 PHE 93 HB2 PHE 93 11.246 -2.575 0.558 803 HD1 PHE 93 HD2 PHE 93 7.526 -2.666 0.381 804 HD2 PHE 93 HD1 PHE 93 11.227 -4.244 -0.997 805 HE1 PHE 93 HE2 PHE 93 6.319 -4.072 -1.237 806 HE2 PHE 93 HE1 PHE 93 10.029 -5.650 -2.620 807 HZ PHE 93 HZ PHE 93 7.571 -5.564 -2.741 808 H LYS 94 H LYS 94 12.413 -3.062 2.818 809 HA LYS 94 HA LYS 94 12.629 -5.903 2.670 810 HB2 LYS 94 HB3 LYS 94 14.503 -3.998 4.074 811 HB3 LYS 94 HB2 LYS 94 14.871 -5.625 3.533 812 HG2 LYS 94 HG3 LYS 94 14.625 -4.894 1.207 813 HG3 LYS 94 HG2 LYS 94 14.295 -3.251 1.774 814 HD2 LYS 94 HD3 LYS 94 16.512 -3.391 3.006 815 HD3 LYS 94 HD2 LYS 94 16.829 -4.849 2.067 816 HE2 LYS 94 HE3 LYS 94 16.659 -3.591 0.005 817 HE3 LYS 94 HE2 LYS 94 16.238 -2.133 0.906 818 HZ1 LYS 94 HZ1 LYS 94 18.439 -2.373 2.047 819 HZ2 LYS 94 HZ2 LYS 94 18.530 -2.005 0.389 820 HZ3 LYS 94 HZ3 LYS 94 18.823 -3.583 0.923 821 H ALA 95 H ALA 95 11.878 -3.669 5.234 822 HA ALA 95 HA ALA 95 12.645 -5.488 7.349 823 HB1 ALA 95 HB1 ALA 95 11.256 -2.819 7.485 824 HB2 ALA 95 HB2 ALA 95 12.994 -3.090 7.610 825 HB3 ALA 95 HB3 ALA 95 11.912 -3.716 8.854 826 H GLY 96 H GLY 96 10.260 -5.864 5.373 827 HA2 GLY 96 HA3 GLY 96 8.283 -7.075 5.607 828 HA3 GLY 96 HA2 GLY 96 8.427 -6.919 7.356 829 H PHE 97 H PHE 97 7.514 -5.286 4.411 830 HA PHE 97 HA PHE 97 6.723 -2.821 5.413 831 HB2 PHE 97 HB3 PHE 97 6.968 -3.612 2.986 832 HB3 PHE 97 HB2 PHE 97 5.340 -4.256 3.149 833 HD1 PHE 97 HD1 PHE 97 7.370 -1.209 3.047 834 HD2 PHE 97 HD2 PHE 97 3.436 -2.816 3.162 835 HE1 PHE 97 HE1 PHE 97 6.458 0.991 2.439 836 HE2 PHE 97 HE2 PHE 97 2.515 -0.619 2.555 837 HZ PHE 97 HZ PHE 97 4.027 1.289 2.190 838 H LEU 98 H LEU 98 5.014 -2.136 6.552 839 HA LEU 98 HA LEU 98 3.360 -4.018 7.873 840 HB2 LEU 98 HB3 LEU 98 4.114 -1.823 8.809 841 HB3 LEU 98 HB2 LEU 98 3.002 -1.024 7.716 842 HG LEU 98 HG LEU 98 1.117 -2.198 8.825 843 HD11 LEU 98 HD11 LEU 98 1.518 -3.301 10.974 844 HD12 LEU 98 HD12 LEU 98 3.256 -3.123 10.738 845 HD13 LEU 98 HD13 LEU 98 2.319 -4.145 9.648 846 HD21 LEU 98 HD21 LEU 98 2.896 -0.592 10.654 847 HD22 LEU 98 HD22 LEU 98 1.171 -0.877 10.882 848 HD23 LEU 98 HD23 LEU 98 1.734 0.059 9.497 849 H CYS 99 H CYS 99 1.919 -5.132 6.716 850 HA CYS 99 HA CYS 99 -0.014 -3.595 5.106 851 HB2 CYS 99 HB3 CYS 99 1.004 -6.358 4.413 852 HB3 CYS 99 HB2 CYS 99 -0.069 -5.349 3.450 853 HG CYS 99 HG CYS 99 3.243 -4.769 4.068 854 HA PRO 100 HA PRO 100 -3.097 -6.123 7.243 855 HB2 PRO 100 HB2 PRO 100 -4.794 -5.847 4.870 856 HB3 PRO 100 HB3 PRO 100 -5.055 -5.214 6.496 857 HG2 PRO 100 HG3 PRO 100 -4.492 -3.627 4.374 858 HG3 PRO 100 HG2 PRO 100 -4.008 -3.227 6.032 859 HD2 PRO 100 HD3 PRO 100 -2.376 -4.379 3.801 860 HD3 PRO 100 HD2 PRO 100 -1.928 -3.158 5.013 861 H ASP 101 H ASP 101 -3.752 -8.307 7.072 862 HA ASP 101 HA ASP 101 -2.270 -10.008 5.441 863 HB2 ASP 101 HB3 ASP 101 -3.328 -10.854 7.448 864 HB3 ASP 101 HB2 ASP 101 -4.929 -10.516 6.791 865 H LEU 102 H LEU 102 -5.463 -8.644 4.996 866 HA LEU 102 HA LEU 102 -6.543 -7.995 3.119 867 HB2 LEU 102 HB3 LEU 102 -4.167 -7.728 2.226 868 HB3 LEU 102 HB2 LEU 102 -4.408 -9.275 1.438 869 HG LEU 102 HG LEU 102 -6.319 -8.333 0.193 870 HD11 LEU 102 HD11 LEU 102 -7.000 -6.632 1.806 871 HD12 LEU 102 HD12 LEU 102 -6.707 -5.920 0.219 872 HD13 LEU 102 HD13 LEU 102 -5.510 -5.738 1.502 873 HD21 LEU 102 HD21 LEU 102 -4.091 -8.315 -0.800 874 HD22 LEU 102 HD22 LEU 102 -3.765 -6.750 -0.057 875 HD23 LEU 102 HD23 LEU 102 -5.014 -6.897 -1.293 876 H SER 103 H SER 103 -5.335 -11.309 3.199 877 HA SER 103 HA SER 103 -7.616 -12.231 1.656 878 HB2 SER 103 HB3 SER 103 -6.631 -14.531 2.289 879 HB3 SER 103 HB2 SER 103 -5.698 -13.505 1.203 880 HG SER 103 HG SER 103 -5.207 -13.243 3.948 881 H ASP 104 H ASP 104 -6.786 -11.662 4.913 882 HA ASP 104 HA ASP 104 -8.801 -13.301 6.105 883 HB2 ASP 104 HB3 ASP 104 -6.886 -12.610 7.422 884 HB3 ASP 104 HB2 ASP 104 -7.264 -10.912 7.149 885 H ALA 105 H ALA 105 -10.894 -12.950 6.177 886 HA ALA 105 HA ALA 105 -12.081 -10.804 4.788 887 HB1 ALA 105 HB1 ALA 105 -13.095 -13.029 4.988 888 HB2 ALA 105 HB2 ALA 105 -14.201 -11.746 5.479 889 HB3 ALA 105 HB3 ALA 105 -13.393 -12.730 6.701 890 H LYS 106 H LYS 106 -11.537 -11.336 8.234 891 HA LYS 106 HA LYS 106 -13.292 -9.318 9.147 892 HB2 LYS 106 HB3 LYS 106 -12.293 -11.190 10.523 893 HB3 LYS 106 HB2 LYS 106 -10.794 -10.270 10.549 894 HG2 LYS 106 HG3 LYS 106 -12.043 -9.921 12.590 895 HG3 LYS 106 HG2 LYS 106 -11.952 -8.422 11.662 896 HD2 LYS 106 HD3 LYS 106 -14.205 -8.786 10.818 897 HD3 LYS 106 HD2 LYS 106 -14.297 -10.323 11.679 898 HE2 LYS 106 HE3 LYS 106 -14.097 -9.153 13.807 899 HE3 LYS 106 HE2 LYS 106 -13.965 -7.612 12.960 900 HZ1 LYS 106 HZ1 LYS 106 -16.205 -7.971 13.772 901 HZ2 LYS 106 HZ2 LYS 106 -16.318 -9.427 12.907 902 HZ3 LYS 106 HZ3 LYS 106 -16.194 -7.953 12.074 903 H ASN 107 H ASN 107 -9.835 -9.323 8.376 904 HA ASN 107 HA ASN 107 -9.264 -6.646 8.951 905 HB2 ASN 107 HB3 ASN 107 -8.119 -8.655 7.058 906 HB3 ASN 107 HB2 ASN 107 -7.642 -6.971 6.877 907 HD21 ASN 107 HD22 ASN 107 -7.454 -9.816 8.848 908 HD22 ASN 107 HD21 ASN 107 -6.201 -9.236 9.899 909 H MET 108 H MET 108 -10.539 -8.125 5.999 910 HA MET 108 HA MET 108 -10.609 -5.742 4.476 911 HB2 MET 108 HB3 MET 108 -10.633 -7.933 3.418 912 HB3 MET 108 HB2 MET 108 -12.177 -8.309 4.167 913 HG2 MET 108 HG3 MET 108 -12.344 -7.684 1.782 914 HG3 MET 108 HG2 MET 108 -13.298 -6.661 2.854 915 HE1 MET 108 HE1 MET 108 -9.234 -5.333 1.111 916 HE2 MET 108 HE2 MET 108 -9.944 -6.916 0.788 917 HE3 MET 108 HE3 MET 108 -9.408 -6.507 2.418 918 H GLU 109 H GLU 109 -12.816 -7.152 6.778 919 HA GLU 109 HA GLU 109 -15.107 -5.660 6.132 920 HB2 GLU 109 HB3 GLU 109 -15.123 -7.607 7.644 921 HB3 GLU 109 HB2 GLU 109 -14.227 -6.680 8.839 922 HG2 GLU 109 HG3 GLU 109 -16.076 -5.140 9.076 923 HG3 GLU 109 HG2 GLU 109 -16.966 -5.981 7.809 924 H PHE 110 H PHE 110 -12.571 -5.022 8.570 925 HA PHE 110 HA PHE 110 -13.562 -2.440 9.232 926 HB2 PHE 110 HB3 PHE 110 -10.771 -3.559 9.581 927 HB3 PHE 110 HB2 PHE 110 -11.378 -2.087 10.329 928 HD1 PHE 110 HD2 PHE 110 -13.778 -2.571 11.564 929 HD2 PHE 110 HD1 PHE 110 -10.600 -5.337 10.973 930 HE1 PHE 110 HE2 PHE 110 -14.568 -3.881 13.491 931 HE2 PHE 110 HE1 PHE 110 -11.383 -6.656 12.901 932 HZ PHE 110 HZ PHE 110 -13.370 -5.926 14.163 933 H LEU 111 H LEU 111 -11.305 -3.641 6.860 934 HA LEU 111 HA LEU 111 -10.107 -1.202 6.134 935 HB2 LEU 111 HB3 LEU 111 -9.225 -3.450 5.606 936 HB3 LEU 111 HB2 LEU 111 -10.540 -3.688 4.475 937 HG LEU 111 HG LEU 111 -8.856 -1.310 3.981 938 HD11 LEU 111 HD11 LEU 111 -7.831 -4.110 3.539 939 HD12 LEU 111 HD12 LEU 111 -7.169 -2.932 4.673 940 HD13 LEU 111 HD13 LEU 111 -7.087 -2.629 2.937 941 HD21 LEU 111 HD21 LEU 111 -10.678 -1.965 2.496 942 HD22 LEU 111 HD22 LEU 111 -9.902 -3.527 2.235 943 HD23 LEU 111 HD23 LEU 111 -9.117 -2.049 1.681 944 H ARG 112 H ARG 112 -13.035 -2.820 5.005 945 HA ARG 112 HA ARG 112 -13.523 -0.859 2.949 946 HB2 ARG 112 HB3 ARG 112 -14.272 -3.203 2.724 947 HB3 ARG 112 HB2 ARG 112 -15.363 -2.971 4.081 948 HG2 ARG 112 HG3 ARG 112 -16.584 -1.278 2.806 949 HG3 ARG 112 HG2 ARG 112 -15.489 -1.525 1.443 950 HD2 ARG 112 HD3 ARG 112 -16.185 -3.886 1.349 951 HD3 ARG 112 HD2 ARG 112 -17.326 -3.583 2.658 952 HE ARG 112 HE ARG 112 -18.313 -1.880 1.029 953 HH11 ARG 112 HH11 ARG 112 -16.749 -4.850 0.078 954 HH12 ARG 112 HH12 ARG 112 -17.632 -5.014 -1.406 955 HH21 ARG 112 HH22 ARG 112 -19.512 -2.079 -0.927 956 HH22 ARG 112 HH21 ARG 112 -19.233 -3.454 -1.961 957 H ASN 113 H ASN 113 -14.307 -1.269 6.286 958 HA ASN 113 HA ASN 113 -16.335 0.840 6.198 959 HB2 ASN 113 HB3 ASN 113 -15.405 -0.953 8.453 960 HB3 ASN 113 HB2 ASN 113 -16.610 0.314 8.640 961 HD21 ASN 113 HD22 ASN 113 -16.868 -2.532 9.074 962 HD22 ASN 113 HD21 ASN 113 -18.129 -3.079 8.027 963 H TRP 114 H TRP 114 -13.346 1.154 5.808 964 HA TRP 114 HA TRP 114 -12.423 2.489 8.175 965 HB2 TRP 114 HB3 TRP 114 -10.969 1.193 6.526 966 HB3 TRP 114 HB2 TRP 114 -11.118 2.585 5.457 967 HD1 TRP 114 HD1 TRP 114 -9.722 1.652 8.927 968 HE1 TRP 114 HE1 TRP 114 -7.853 3.311 9.522 969 HE3 TRP 114 HE3 TRP 114 -10.141 4.809 4.931 970 HZ2 TRP 114 HZ2 TRP 114 -6.701 5.650 8.439 971 HZ3 TRP 114 HZ3 TRP 114 -8.612 6.730 4.781 972 HH2 TRP 114 HH2 TRP 114 -6.927 7.141 6.501 973 H ASN 115 H ASN 115 -12.291 4.610 8.573 974 HA ASN 115 HA ASN 115 -12.955 6.569 6.516 975 HB2 ASN 115 HB3 ASN 115 -14.474 6.286 9.126 976 HB3 ASN 115 HB2 ASN 115 -14.536 7.722 8.113 977 HD21 ASN 115 HD22 ASN 115 -15.590 4.469 8.538 978 HD22 ASN 115 HD21 ASN 115 -16.714 4.437 7.220 979 H GLY 116 H GLY 116 -13.187 8.739 8.366 980 HA2 GLY 116 HA3 GLY 116 -10.463 9.151 9.151 981 HA3 GLY 116 HA2 GLY 116 -11.823 10.212 9.507 982 H THR 117 H THR 117 -10.673 6.977 10.361 983 HA THR 117 HA THR 117 -11.348 7.510 13.174 984 HB THR 117 HB THR 117 -11.880 4.885 11.765 985 HG1 THR 117 HG1 THR 117 -14.140 6.159 12.484 986 HG21 THR 117 HG21 THR 117 -11.587 4.714 14.181 987 HG22 THR 117 HG22 THR 117 -13.266 4.417 13.733 988 HG23 THR 117 HG23 THR 117 -12.801 5.968 14.428 989 H PHE 118 H PHE 118 -9.347 7.559 14.075 990 HA PHE 118 HA PHE 118 -7.166 6.036 13.012 991 HB2 PHE 118 HB3 PHE 118 -7.409 7.705 15.519 992 HB3 PHE 118 HB2 PHE 118 -5.913 6.946 14.983 993 HD1 PHE 118 HD1 PHE 118 -8.334 9.612 14.342 994 HD2 PHE 118 HD2 PHE 118 -4.716 7.772 13.059 995 HE1 PHE 118 HE1 PHE 118 -7.845 11.565 12.926 996 HE2 PHE 118 HE2 PHE 118 -4.220 9.722 11.645 997 HZ PHE 118 HZ PHE 118 -5.785 11.622 11.576 998 H GLY 119 H GLY 119 -9.593 5.479 15.368 999 HA2 GLY 119 HA3 GLY 119 -8.273 3.502 16.913 1000 HA3 GLY 119 HA2 GLY 119 -10.014 3.693 16.753 1001 H LEU 120 H LEU 120 -9.470 3.478 13.709 1002 HA LEU 120 HA LEU 120 -10.046 0.685 13.555 1003 HB2 LEU 120 HB3 LEU 120 -9.672 2.846 11.507 1004 HB3 LEU 120 HB2 LEU 120 -9.868 1.166 11.036 1005 HG LEU 120 HG LEU 120 -11.861 2.742 12.669 1006 HD11 LEU 120 HD11 LEU 120 -13.242 2.697 10.661 1007 HD12 LEU 120 HD12 LEU 120 -11.937 1.909 9.773 1008 HD13 LEU 120 HD13 LEU 120 -11.728 3.554 10.372 1009 HD21 LEU 120 HD21 LEU 120 -13.318 0.831 12.315 1010 HD22 LEU 120 HD22 LEU 120 -11.839 0.332 13.139 1011 HD23 LEU 120 HD23 LEU 120 -12.043 0.006 11.417 1012 H LEU 121 H LEU 121 -7.166 2.472 13.620 1013 HA LEU 121 HA LEU 121 -5.595 0.545 12.166 1014 HB2 LEU 121 HB3 LEU 121 -4.871 2.870 13.941 1015 HB3 LEU 121 HB2 LEU 121 -3.658 1.777 13.306 1016 HG LEU 121 HG LEU 121 -3.688 3.698 11.900 1017 HD11 LEU 121 HD11 LEU 121 -5.189 1.470 10.540 1018 HD12 LEU 121 HD12 LEU 121 -3.440 1.583 10.737 1019 HD13 LEU 121 HD13 LEU 121 -4.292 2.756 9.733 1020 HD21 LEU 121 HD21 LEU 121 -6.662 3.297 11.613 1021 HD22 LEU 121 HD22 LEU 121 -5.694 4.497 10.755 1022 HD23 LEU 121 HD23 LEU 121 -5.867 4.592 12.509 1023 H ASN 122 H ASN 122 -6.999 0.751 15.213 1024 HA ASN 122 HA ASN 122 -5.161 -1.136 16.463 1025 HB2 ASN 122 HB3 ASN 122 -7.731 0.090 17.501 1026 HB3 ASN 122 HB2 ASN 122 -6.640 -0.925 18.433 1027 HD21 ASN 122 HD22 ASN 122 -4.225 0.282 17.301 1028 HD22 ASN 122 HD21 ASN 122 -4.096 1.843 18.046 1029 H THR 123 H THR 123 -8.269 -0.996 14.900 1030 HA THR 123 HA THR 123 -9.064 -3.634 15.715 1031 HB THR 123 HB THR 123 -10.945 -3.310 14.115 1032 HG1 THR 123 HG1 THR 123 -10.764 -1.791 12.666 1033 HG21 THR 123 HG21 THR 123 -10.478 -1.015 16.022 1034 HG22 THR 123 HG22 THR 123 -11.152 -2.589 16.450 1035 HG23 THR 123 HG23 THR 123 -12.038 -1.515 15.369 1036 H LEU 124 H LEU 124 -7.703 -2.128 12.841 1037 HA LEU 124 HA LEU 124 -7.748 -4.407 11.178 1038 HB2 LEU 124 HB3 LEU 124 -6.065 -1.920 11.180 1039 HB3 LEU 124 HB2 LEU 124 -5.849 -3.185 9.986 1040 HG LEU 124 HG LEU 124 -8.431 -1.682 10.427 1041 HD11 LEU 124 HD11 LEU 124 -7.897 -0.537 8.339 1042 HD12 LEU 124 HD12 LEU 124 -6.335 -1.352 8.285 1043 HD13 LEU 124 HD13 LEU 124 -6.686 -0.204 9.577 1044 HD21 LEU 124 HD21 LEU 124 -9.085 -2.704 8.307 1045 HD22 LEU 124 HD22 LEU 124 -8.724 -3.930 9.521 1046 HD23 LEU 124 HD23 LEU 124 -7.554 -3.578 8.250 1047 H ARG 125 H ARG 125 -6.391 -6.089 10.932 1048 HA ARG 125 HA ARG 125 -4.289 -6.373 12.931 1049 HB2 ARG 125 HB3 ARG 125 -5.517 -8.383 11.038 1050 HB3 ARG 125 HB2 ARG 125 -4.165 -8.745 12.103 1051 HG2 ARG 125 HG3 ARG 125 -5.921 -9.510 13.349 1052 HG3 ARG 125 HG2 ARG 125 -5.772 -7.863 13.962 1053 HD2 ARG 125 HD3 ARG 125 -8.051 -8.071 13.607 1054 HD3 ARG 125 HD2 ARG 125 -7.504 -7.283 12.128 1055 HE ARG 125 HE ARG 125 -7.880 -9.269 10.946 1056 HH11 ARG 125 HH11 ARG 125 -8.628 -9.587 14.343 1057 HH12 ARG 125 HH12 ARG 125 -9.476 -11.094 14.159 1058 HH21 ARG 125 HH22 ARG 125 -8.994 -11.249 10.672 1059 HH22 ARG 125 HH21 ARG 125 -9.669 -12.042 12.067 1060 H LEU 126 H LEU 126 -3.015 -4.774 11.927 1061 HA LEU 126 HA LEU 126 -1.908 -5.257 9.314 1062 HB2 LEU 126 HB3 LEU 126 -1.241 -3.211 11.435 1063 HB3 LEU 126 HB2 LEU 126 -0.593 -3.216 9.803 1064 HG LEU 126 HG LEU 126 -3.559 -3.142 10.218 1065 HD11 LEU 126 HD11 LEU 126 -1.747 -0.735 10.270 1066 HD12 LEU 126 HD12 LEU 126 -2.670 -1.367 11.636 1067 HD13 LEU 126 HD13 LEU 126 -3.511 -0.718 10.229 1068 HD21 LEU 126 HD21 LEU 126 -1.724 -2.046 8.089 1069 HD22 LEU 126 HD22 LEU 126 -3.486 -1.950 8.086 1070 HD23 LEU 126 HD23 LEU 126 -2.688 -3.519 7.974 1071 H ILE 127 H ILE 127 -0.170 -6.415 8.900 1072 HA ILE 127 HA ILE 127 1.583 -7.177 11.146 1073 HB ILE 127 HB ILE 127 1.857 -9.387 10.003 1074 HG12 ILE 127 HG13 ILE 127 -0.487 -8.391 8.363 1075 HG13 ILE 127 HG12 ILE 127 1.127 -8.749 7.760 1076 HG21 ILE 127 HG21 ILE 127 0.412 -9.160 11.941 1077 HG22 ILE 127 HG22 ILE 127 -0.278 -10.312 10.796 1078 HG23 ILE 127 HG23 ILE 127 -0.932 -8.678 10.905 1079 HD11 ILE 127 HD11 ILE 127 0.802 -11.106 8.333 1080 HD12 ILE 127 HD12 ILE 127 -0.416 -10.522 7.200 1081 HD13 ILE 127 HD13 ILE 127 -0.823 -10.734 8.904 1082 H ARG 128 H ARG 128 3.560 -8.482 9.933 1083 HA ARG 128 HA ARG 128 4.714 -6.424 8.198 1084 HB2 ARG 128 HB3 ARG 128 5.947 -8.672 9.787 1085 HB3 ARG 128 HB2 ARG 128 6.853 -7.767 8.588 1086 HG2 ARG 128 HG3 ARG 128 6.371 -5.696 9.870 1087 HG3 ARG 128 HG2 ARG 128 5.623 -6.701 11.117 1088 HD2 ARG 128 HD3 ARG 128 7.715 -7.897 11.439 1089 HD3 ARG 128 HD2 ARG 128 8.468 -6.966 10.146 1090 HE ARG 128 HE ARG 128 7.478 -5.203 12.111 1091 HH11 ARG 128 HH11 ARG 128 10.064 -7.509 11.567 1092 HH12 ARG 128 HH12 ARG 128 11.135 -6.778 12.728 1093 HH21 ARG 128 HH22 ARG 128 8.875 -4.236 13.620 1094 HH22 ARG 128 HH21 ARG 128 10.454 -4.908 13.891 1095 H ILE 129 H ILE 129 4.787 -6.748 6.081 1096 HA ILE 129 HA ILE 129 4.884 -9.527 5.122 1097 HB ILE 129 HB ILE 129 3.472 -7.166 3.903 1098 HG12 ILE 129 HG13 ILE 129 2.585 -9.866 4.926 1099 HG13 ILE 129 HG12 ILE 129 2.173 -8.288 5.585 1100 HG21 ILE 129 HG21 ILE 129 2.907 -8.634 2.015 1101 HG22 ILE 129 HG22 ILE 129 3.981 -9.868 2.673 1102 HG23 ILE 129 HG23 ILE 129 4.642 -8.329 2.124 1103 HD11 ILE 129 HD11 ILE 129 0.887 -7.795 3.569 1104 HD12 ILE 129 HD12 ILE 129 0.308 -9.245 4.386 1105 HD13 ILE 129 HD13 ILE 129 1.294 -9.388 2.930 1106 H ASN 130 H ASN 130 6.730 -10.015 4.253 1107 HA ASN 130 HA ASN 130 8.561 -7.832 3.553 1108 HB2 ASN 130 HB3 ASN 130 9.310 -9.347 5.328 1109 HB3 ASN 130 HB2 ASN 130 9.129 -10.724 4.249 1110 HD21 ASN 130 HD22 ASN 130 11.285 -11.283 4.528 1111 HD22 ASN 130 HD21 ASN 130 12.572 -10.397 3.769 1112 H ASP 131 H ASP 131 9.662 -7.758 1.714 1113 HA ASP 131 HA ASP 131 10.224 -7.986 -0.436 1114 HB2 ASP 131 HB3 ASP 131 11.126 -10.152 0.555 1115 HB3 ASP 131 HB2 ASP 131 9.736 -10.945 -0.179 1116 H LYS 132 H LYS 132 8.010 -10.757 -0.630 1117 HA LYS 132 HA LYS 132 6.214 -9.095 -2.229 1118 HB2 LYS 132 HB3 LYS 132 7.512 -11.637 -3.223 1119 HB3 LYS 132 HB2 LYS 132 6.170 -10.831 -4.022 1120 HG2 LYS 132 HG3 LYS 132 7.495 -8.924 -4.510 1121 HG3 LYS 132 HG2 LYS 132 8.803 -9.492 -3.473 1122 HD2 LYS 132 HD3 LYS 132 9.061 -11.449 -4.999 1123 HD3 LYS 132 HD2 LYS 132 7.877 -10.700 -6.074 1124 HE2 LYS 132 HE3 LYS 132 9.296 -8.800 -6.413 1125 HE3 LYS 132 HE2 LYS 132 10.427 -9.366 -5.185 1126 HZ1 LYS 132 HZ1 LYS 132 9.885 -10.608 -7.827 1127 HZ2 LYS 132 HZ2 LYS 132 10.828 -11.332 -6.616 1128 HZ3 LYS 132 HZ3 LYS 132 11.321 -9.866 -7.311 1129 H GLY 133 H GLY 133 4.931 -9.383 -0.307 1130 HA2 GLY 133 HA3 GLY 133 2.882 -10.167 0.407 1131 HA3 GLY 133 HA2 GLY 133 2.960 -11.391 -0.848 1132 H GLU 134 H GLU 134 5.694 -11.300 1.217 1133 HA GLU 134 HA GLU 134 4.876 -13.885 2.287 1134 HB2 GLU 134 HB3 GLU 134 7.528 -12.442 2.448 1135 HB3 GLU 134 HB2 GLU 134 7.223 -14.084 3.001 1136 HG2 GLU 134 HG3 GLU 134 6.603 -14.676 0.662 1137 HG3 GLU 134 HG2 GLU 134 7.131 -13.066 0.175 1138 H GLN 135 H GLN 135 4.513 -14.288 4.438 1139 HA GLN 135 HA GLN 135 3.985 -11.881 5.984 1140 HB2 GLN 135 HB3 GLN 135 2.274 -13.702 5.791 1141 HB3 GLN 135 HB2 GLN 135 3.342 -14.733 6.739 1142 HG2 GLN 135 HG3 GLN 135 3.240 -13.122 8.583 1143 HG3 GLN 135 HG2 GLN 135 2.143 -12.123 7.637 1144 HE21 GLN 135 HE22 GLN 135 1.719 -13.328 10.213 1145 HE22 GLN 135 HE21 GLN 135 0.339 -14.366 10.057 1146 H VAL 136 H VAL 136 5.149 -11.184 7.602 1147 HA VAL 136 HA VAL 136 7.353 -12.861 8.585 1148 HB VAL 136 HB VAL 136 6.992 -9.905 9.064 1149 HG11 VAL 136 HG11 VAL 136 9.422 -11.690 9.151 1150 HG12 VAL 136 HG12 VAL 136 8.561 -11.029 10.541 1151 HG13 VAL 136 HG13 VAL 136 9.414 -9.949 9.439 1152 HG21 VAL 136 HG21 VAL 136 8.441 -11.233 6.778 1153 HG22 VAL 136 HG22 VAL 136 8.544 -9.521 7.188 1154 HG23 VAL 136 HG23 VAL 136 7.006 -10.210 6.666 1155 H VAL 137 H VAL 137 7.431 -13.468 10.679 1156 HA VAL 137 HA VAL 137 5.163 -13.512 12.290 1157 HB VAL 137 HB VAL 137 8.033 -13.701 13.223 1158 HG11 VAL 137 HG11 VAL 137 7.121 -15.044 15.061 1159 HG12 VAL 137 HG12 VAL 137 5.488 -14.731 14.473 1160 HG13 VAL 137 HG13 VAL 137 6.480 -13.400 15.071 1161 HG21 VAL 137 HG21 VAL 137 7.760 -16.123 12.951 1162 HG22 VAL 137 HG22 VAL 137 7.587 -15.269 11.417 1163 HG23 VAL 137 HG23 VAL 137 6.158 -15.859 12.264 1164 H GLY 138 H GLY 138 7.871 -11.261 12.273 1165 HA2 GLY 138 HA3 GLY 138 7.025 -8.909 12.698 1166 HA3 GLY 138 HA2 GLY 138 6.400 -9.583 14.197 1167 H GLY 139 H GLY 139 7.588 -8.630 15.732 1168 HA2 GLY 139 HA3 GLY 139 10.378 -9.363 15.908 1169 HA3 GLY 139 HA2 GLY 139 10.095 -7.639 15.711 1170 H ASN 140 H ASN 140 8.010 -9.852 17.477 1171 HA ASN 140 HA ASN 140 8.648 -8.340 19.913 1172 HB2 ASN 140 HB3 ASN 140 6.423 -9.184 20.755 1173 HB3 ASN 140 HB2 ASN 140 6.343 -8.056 19.414 1174 HD21 ASN 140 HD22 ASN 140 7.072 -11.532 19.230 1175 HD22 ASN 140 HD21 ASN 140 5.661 -11.938 18.309 1176 H GLU 141 H GLU 141 9.553 -11.055 18.500 1177 HA GLU 141 HA GLU 141 9.528 -12.670 20.953 1178 HB2 GLU 141 HB3 GLU 141 10.051 -13.479 18.084 1179 HB3 GLU 141 HB2 GLU 141 10.185 -14.561 19.463 1180 HG2 GLU 141 HG3 GLU 141 7.688 -13.181 18.510 1181 HG3 GLU 141 HG2 GLU 141 8.081 -14.890 18.326 Start of MODEL 6 1 H MET 1 H MET 1 -6.115 22.033 25.587 2 HA MET 1 HA MET 1 -8.711 20.932 24.697 3 HB2 MET 1 HB3 MET 1 -6.174 21.502 23.170 4 HB3 MET 1 HB2 MET 1 -7.389 20.368 22.597 5 HG2 MET 1 HG3 MET 1 -9.053 22.204 22.656 6 HG3 MET 1 HG2 MET 1 -7.750 23.312 23.082 7 HE1 MET 1 HE1 MET 1 -8.470 24.824 20.989 8 HE2 MET 1 HE2 MET 1 -9.733 23.657 20.589 9 HE3 MET 1 HE3 MET 1 -8.605 24.200 19.346 10 H ARG 2 H ARG 2 -5.245 20.097 24.483 11 HA ARG 2 HA ARG 2 -6.029 17.333 25.074 12 HB2 ARG 2 HB3 ARG 2 -3.566 18.491 23.772 13 HB3 ARG 2 HB2 ARG 2 -3.747 16.786 24.165 14 HG2 ARG 2 HG3 ARG 2 -5.686 16.645 22.688 15 HG3 ARG 2 HG2 ARG 2 -5.517 18.359 22.301 16 HD2 ARG 2 HD3 ARG 2 -3.419 16.258 21.783 17 HD3 ARG 2 HD2 ARG 2 -4.557 16.861 20.579 18 HE ARG 2 HE ARG 2 -3.397 19.128 21.441 19 HH11 ARG 2 HH11 ARG 2 -2.057 16.073 20.377 20 HH12 ARG 2 HH12 ARG 2 -0.617 16.791 19.729 21 HH21 ARG 2 HH22 ARG 2 -1.496 20.064 20.610 22 HH22 ARG 2 HH21 ARG 2 -0.282 19.053 19.885 23 H GLU 3 H GLU 3 -5.380 16.280 26.814 24 HA GLU 3 HA GLU 3 -3.815 17.637 28.843 25 HB2 GLU 3 HB3 GLU 3 -5.000 14.850 28.774 26 HB3 GLU 3 HB2 GLU 3 -4.280 15.618 30.185 27 HG2 GLU 3 HG3 GLU 3 -6.021 17.160 30.381 28 HG3 GLU 3 HG2 GLU 3 -6.594 16.855 28.742 29 H ASP 4 H ASP 4 -3.516 15.072 26.506 30 HA ASP 4 HA ASP 4 -0.700 14.682 27.156 31 HB2 ASP 4 HB3 ASP 4 -2.492 13.401 25.076 32 HB3 ASP 4 HB2 ASP 4 -0.774 13.055 25.229 33 H LYS 5 H LYS 5 0.666 16.153 26.411 34 HA LYS 5 HA LYS 5 -0.158 18.142 24.563 35 HB2 LYS 5 HB3 LYS 5 1.445 18.469 26.467 36 HB3 LYS 5 HB2 LYS 5 2.651 17.602 25.528 37 HG2 LYS 5 HG3 LYS 5 2.586 19.300 23.809 38 HG3 LYS 5 HG2 LYS 5 1.298 20.149 24.666 39 HD2 LYS 5 HD3 LYS 5 2.842 20.443 26.588 40 HD3 LYS 5 HD2 LYS 5 4.125 19.706 25.625 41 HE2 LYS 5 HE3 LYS 5 3.972 21.489 23.993 42 HE3 LYS 5 HE2 LYS 5 2.604 22.195 24.854 43 HZ1 LYS 5 HZ1 LYS 5 4.095 22.527 26.774 44 HZ2 LYS 5 HZ2 LYS 5 4.585 23.397 25.404 45 HZ3 LYS 5 HZ3 LYS 5 5.399 21.976 25.839 46 H ILE 6 H ILE 6 1.486 15.143 24.176 47 HA ILE 6 HA ILE 6 2.658 15.804 21.622 48 HB ILE 6 HB ILE 6 2.308 13.082 22.899 49 HG12 ILE 6 HG13 ILE 6 3.559 14.556 24.393 50 HG13 ILE 6 HG12 ILE 6 4.628 13.347 23.694 51 HG21 ILE 6 HG21 ILE 6 4.196 12.427 21.466 52 HG22 ILE 6 HG22 ILE 6 4.170 14.028 20.726 53 HG23 ILE 6 HG23 ILE 6 2.793 12.945 20.530 54 HD11 ILE 6 HD11 ILE 6 5.444 15.009 22.092 55 HD12 ILE 6 HD12 ILE 6 5.700 15.513 23.764 56 HD13 ILE 6 HD13 ILE 6 4.386 16.217 22.823 57 H ALA 7 H ALA 7 1.945 15.039 19.589 58 HA ALA 7 HA ALA 7 -0.800 14.874 19.103 59 HB1 ALA 7 HB1 ALA 7 0.860 15.396 17.369 60 HB2 ALA 7 HB2 ALA 7 -0.212 14.087 16.873 61 HB3 ALA 7 HB3 ALA 7 1.426 13.727 17.417 62 H ALA 8 H ALA 8 1.600 12.325 19.479 63 HA ALA 8 HA ALA 8 -0.536 10.349 19.811 64 HB1 ALA 8 HB1 ALA 8 2.453 9.974 19.584 65 HB2 ALA 8 HB2 ALA 8 1.280 9.729 18.291 66 HB3 ALA 8 HB3 ALA 8 1.259 8.680 19.709 67 H LYS 9 H LYS 9 0.721 8.617 21.573 68 HA LYS 9 HA LYS 9 1.081 10.287 23.971 69 HB2 LYS 9 HB3 LYS 9 -0.297 7.604 23.738 70 HB3 LYS 9 HB2 LYS 9 0.070 8.402 25.262 71 HG2 LYS 9 HG3 LYS 9 -1.349 10.273 24.658 72 HG3 LYS 9 HG2 LYS 9 -1.685 9.534 23.093 73 HD2 LYS 9 HD3 LYS 9 -2.755 7.648 24.210 74 HD3 LYS 9 HD2 LYS 9 -2.402 8.370 25.782 75 HE2 LYS 9 HE3 LYS 9 -3.780 10.298 25.219 76 HE3 LYS 9 HE2 LYS 9 -4.104 9.616 23.627 77 HZ1 LYS 9 HZ1 LYS 9 -4.936 8.459 26.235 78 HZ2 LYS 9 HZ2 LYS 9 -5.184 7.727 24.723 79 HZ3 LYS 9 HZ3 LYS 9 -5.942 9.195 25.086 80 H LYS 10 H LYS 10 2.283 9.061 25.743 81 HA LYS 10 HA LYS 10 4.839 8.425 24.770 82 HB2 LYS 10 HB3 LYS 10 3.592 7.921 27.469 83 HB3 LYS 10 HB2 LYS 10 5.293 7.652 27.117 84 HG2 LYS 10 HG3 LYS 10 5.523 10.034 26.534 85 HG3 LYS 10 HG2 LYS 10 3.831 10.280 26.974 86 HD2 LYS 10 HD3 LYS 10 4.286 9.614 29.251 87 HD3 LYS 10 HD2 LYS 10 5.952 9.212 28.835 88 HE2 LYS 10 HE3 LYS 10 6.356 11.572 28.268 89 HE3 LYS 10 HE2 LYS 10 4.701 11.956 28.742 90 HZ1 LYS 10 HZ1 LYS 10 5.176 11.315 30.980 91 HZ2 LYS 10 HZ2 LYS 10 6.371 12.416 30.485 92 HZ3 LYS 10 HZ3 LYS 10 6.723 10.758 30.558 93 H LYS 11 H LYS 11 2.078 6.470 25.049 94 HA LYS 11 HA LYS 11 3.466 3.959 25.278 95 HB2 LYS 11 HB3 LYS 11 0.593 4.511 24.508 96 HB3 LYS 11 HB2 LYS 11 1.260 2.955 24.987 97 HG2 LYS 11 HG3 LYS 11 1.744 3.833 27.207 98 HG3 LYS 11 HG2 LYS 11 1.098 5.404 26.732 99 HD2 LYS 11 HD3 LYS 11 -1.087 4.312 26.297 100 HD3 LYS 11 HD2 LYS 11 -0.413 2.801 26.913 101 HE2 LYS 11 HE3 LYS 11 -1.685 3.912 28.649 102 HE3 LYS 11 HE2 LYS 11 0.029 3.895 29.069 103 HZ1 LYS 11 HZ1 LYS 11 -1.381 6.204 27.838 104 HZ2 LYS 11 HZ2 LYS 11 0.222 6.178 28.396 105 HZ3 LYS 11 HZ3 LYS 11 -1.060 6.048 29.495 106 H LEU 12 H LEU 12 2.951 6.157 22.815 107 HA LEU 12 HA LEU 12 3.409 4.098 20.754 108 HB2 LEU 12 HB3 LEU 12 2.008 6.764 20.466 109 HB3 LEU 12 HB2 LEU 12 2.356 5.664 19.147 110 HG LEU 12 HG LEU 12 0.541 5.036 21.480 111 HD11 LEU 12 HD11 LEU 12 -0.400 6.778 20.066 112 HD12 LEU 12 HD12 LEU 12 -1.278 5.263 19.863 113 HD13 LEU 12 HD13 LEU 12 -0.126 5.785 18.635 114 HD21 LEU 12 HD21 LEU 12 1.056 3.542 18.909 115 HD22 LEU 12 HD22 LEU 12 -0.114 3.098 20.153 116 HD23 LEU 12 HD23 LEU 12 1.613 3.062 20.514 117 H HIS 13 H HIS 13 5.072 4.504 19.283 118 HA HIS 13 HA HIS 13 6.641 6.941 19.739 119 HB2 HIS 13 HB3 HIS 13 7.721 4.116 19.739 120 HB3 HIS 13 HB2 HIS 13 8.732 5.551 19.617 121 HD1 HIS 13 HD1 HIS 13 9.083 6.948 21.753 122 HD2 HIS 13 HD2 HIS 13 6.645 3.619 22.286 123 HE1 HIS 13 HE1 HIS 13 8.841 6.673 24.242 124 HE2 HIS 13 HE2 HIS 13 7.492 4.568 24.541 125 H GLN 14 H GLN 14 7.632 7.782 18.003 126 HA GLN 14 HA GLN 14 8.151 8.226 15.854 127 HB2 GLN 14 HB3 GLN 14 8.126 5.220 15.636 128 HB3 GLN 14 HB2 GLN 14 8.540 6.273 14.289 129 HG2 GLN 14 HG3 GLN 14 10.374 7.222 15.602 130 HG3 GLN 14 HG2 GLN 14 9.967 6.142 16.935 131 HE21 GLN 14 HE22 GLN 14 9.343 3.886 15.243 132 HE22 GLN 14 HE21 GLN 14 10.855 3.301 14.633 133 H ASP 15 H ASP 15 6.395 9.374 15.293 134 HA ASP 15 HA ASP 15 3.884 8.330 14.583 135 HB2 ASP 15 HB3 ASP 15 5.128 10.896 13.570 136 HB3 ASP 15 HB2 ASP 15 3.413 10.507 13.613 137 H LYS 16 H LYS 16 3.211 7.332 12.804 138 HA LYS 16 HA LYS 16 5.103 6.943 10.633 139 HB2 LYS 16 HB3 LYS 16 2.430 5.678 11.238 140 HB3 LYS 16 HB2 LYS 16 3.401 5.288 9.823 141 HG2 LYS 16 HG3 LYS 16 5.225 4.555 11.299 142 HG3 LYS 16 HG2 LYS 16 4.212 4.904 12.700 143 HD2 LYS 16 HD3 LYS 16 4.200 2.515 12.117 144 HD3 LYS 16 HD2 LYS 16 2.598 3.241 11.980 145 HE2 LYS 16 HE3 LYS 16 2.974 1.807 10.088 146 HE3 LYS 16 HE2 LYS 16 2.961 3.484 9.546 147 HZ1 LYS 16 HZ1 LYS 16 4.748 2.406 8.467 148 HZ2 LYS 16 HZ2 LYS 16 5.320 1.720 9.911 149 HZ3 LYS 16 HZ3 LYS 16 5.447 3.392 9.657 150 H ARG 17 H ARG 17 4.032 6.839 8.357 151 HA ARG 17 HA ARG 17 3.247 9.560 7.861 152 HB2 ARG 17 HB3 ARG 17 3.333 7.346 5.820 153 HB3 ARG 17 HB2 ARG 17 3.513 9.072 5.553 154 HG2 ARG 17 HG3 ARG 17 5.641 8.911 6.929 155 HG3 ARG 17 HG2 ARG 17 5.481 7.160 6.765 156 HD2 ARG 17 HD3 ARG 17 5.254 7.648 4.243 157 HD3 ARG 17 HD2 ARG 17 5.933 9.223 4.641 158 HE ARG 17 HE ARG 17 7.340 6.775 4.382 159 HH11 ARG 17 HH11 ARG 17 7.298 9.690 6.376 160 HH12 ARG 17 HH12 ARG 17 9.006 9.630 6.689 161 HH21 ARG 17 HH22 ARG 17 9.565 6.737 4.771 162 HH22 ARG 17 HH21 ARG 17 10.291 7.964 5.773 163 H VAL 18 H VAL 18 1.335 10.325 7.036 164 HA VAL 18 HA VAL 18 -1.077 8.935 7.479 165 HB VAL 18 HB VAL 18 -0.399 11.410 5.906 166 HG11 VAL 18 HG11 VAL 18 -3.155 10.209 6.199 167 HG12 VAL 18 HG12 VAL 18 -2.245 10.343 4.694 168 HG13 VAL 18 HG13 VAL 18 -2.786 11.799 5.530 169 HG21 VAL 18 HG21 VAL 18 -0.418 11.527 8.336 170 HG22 VAL 18 HG22 VAL 18 -2.060 10.884 8.358 171 HG23 VAL 18 HG23 VAL 18 -1.741 12.470 7.649 172 H HIS 19 H HIS 19 1.109 9.044 4.781 173 HA HIS 19 HA HIS 19 -0.623 7.958 2.831 174 HB2 HIS 19 HB3 HIS 19 2.351 8.158 3.091 175 HB3 HIS 19 HB2 HIS 19 1.650 7.173 1.810 176 HD1 HIS 19 HD1 HIS 19 1.772 10.752 3.023 177 HD2 HIS 19 HD2 HIS 19 0.648 8.573 -0.336 178 HE1 HIS 19 HE1 HIS 19 1.287 12.455 1.238 179 HE2 HIS 19 HE2 HIS 19 0.395 11.118 -0.704 180 H GLU 20 H GLU 20 0.746 6.560 5.599 181 HA GLU 20 HA GLU 20 0.713 3.829 4.738 182 HB2 GLU 20 HB3 GLU 20 1.810 4.909 6.854 183 HB3 GLU 20 HB2 GLU 20 0.218 4.721 7.569 184 HG2 GLU 20 HG3 GLU 20 1.190 2.790 8.258 185 HG3 GLU 20 HG2 GLU 20 0.502 2.245 6.728 186 H LEU 21 H LEU 21 -1.502 5.946 6.518 187 HA LEU 21 HA LEU 21 -3.658 4.081 6.600 188 HB2 LEU 21 HB3 LEU 21 -3.522 7.053 7.075 189 HB3 LEU 21 HB2 LEU 21 -5.020 6.155 7.180 190 HG LEU 21 HG LEU 21 -3.896 4.738 8.965 191 HD11 LEU 21 HD11 LEU 21 -1.915 7.006 8.890 192 HD12 LEU 21 HD12 LEU 21 -1.586 5.315 8.513 193 HD13 LEU 21 HD13 LEU 21 -2.025 5.782 10.157 194 HD21 LEU 21 HD21 LEU 21 -4.329 6.398 10.707 195 HD22 LEU 21 HD22 LEU 21 -5.577 6.423 9.462 196 HD23 LEU 21 HD23 LEU 21 -4.333 7.673 9.488 197 H ALA 22 H ALA 22 -2.777 6.789 4.530 198 HA ALA 22 HA ALA 22 -5.003 6.871 2.864 199 HB1 ALA 22 HB1 ALA 22 -3.543 7.833 1.180 200 HB2 ALA 22 HB2 ALA 22 -2.127 7.243 2.049 201 HB3 ALA 22 HB3 ALA 22 -3.156 8.477 2.775 202 H ARG 23 H ARG 23 -2.393 4.543 2.960 203 HA ARG 23 HA ARG 23 -3.007 3.247 0.500 204 HB2 ARG 23 HB3 ARG 23 -0.840 3.043 1.748 205 HB3 ARG 23 HB2 ARG 23 -1.680 2.062 2.939 206 HG2 ARG 23 HG3 ARG 23 -2.285 0.500 1.055 207 HG3 ARG 23 HG2 ARG 23 -1.149 1.413 0.057 208 HD2 ARG 23 HD3 ARG 23 -0.574 -0.163 2.553 209 HD3 ARG 23 HD2 ARG 23 0.036 -0.451 0.924 210 HE ARG 23 HE ARG 23 1.252 1.716 1.202 211 HH11 ARG 23 HH11 ARG 23 0.348 -0.233 3.957 212 HH12 ARG 23 HH12 ARG 23 1.559 0.449 5.004 213 HH21 ARG 23 HH22 ARG 23 2.857 2.614 2.602 214 HH22 ARG 23 HH21 ARG 23 2.959 2.047 4.245 215 H VAL 24 H VAL 24 -3.920 2.754 3.871 216 HA VAL 24 HA VAL 24 -5.550 0.492 3.565 217 HB VAL 24 HB VAL 24 -5.832 2.794 5.516 218 HG11 VAL 24 HG11 VAL 24 -7.099 1.251 6.916 219 HG12 VAL 24 HG12 VAL 24 -6.987 0.012 5.666 220 HG13 VAL 24 HG13 VAL 24 -7.896 1.493 5.361 221 HG21 VAL 24 HG21 VAL 24 -4.438 0.132 5.792 222 HG22 VAL 24 HG22 VAL 24 -4.633 1.328 7.074 223 HG23 VAL 24 HG23 VAL 24 -3.659 1.710 5.653 224 H LYS 25 H LYS 25 -6.248 3.946 3.349 225 HA LYS 25 HA LYS 25 -8.968 3.842 2.762 226 HB2 LYS 25 HB3 LYS 25 -7.818 5.934 3.251 227 HB3 LYS 25 HB2 LYS 25 -6.868 5.783 1.779 228 HG2 LYS 25 HG3 LYS 25 -8.979 5.919 0.475 229 HG3 LYS 25 HG2 LYS 25 -9.834 6.244 1.984 230 HD2 LYS 25 HD3 LYS 25 -8.499 8.246 2.330 231 HD3 LYS 25 HD2 LYS 25 -7.583 7.907 0.860 232 HE2 LYS 25 HE3 LYS 25 -10.542 8.475 1.017 233 HE3 LYS 25 HE2 LYS 25 -9.300 9.599 0.467 234 HZ1 LYS 25 HZ1 LYS 25 -10.060 7.032 -0.827 235 HZ2 LYS 25 HZ2 LYS 25 -8.779 8.021 -1.330 236 HZ3 LYS 25 HZ3 LYS 25 -10.372 8.593 -1.411 237 H PHE 26 H PHE 26 -6.174 3.767 0.567 238 HA PHE 26 HA PHE 26 -7.558 3.650 -1.848 239 HB2 PHE 26 HB3 PHE 26 -5.168 4.050 -1.782 240 HB3 PHE 26 HB2 PHE 26 -4.885 2.457 -1.092 241 HD1 PHE 26 HD2 PHE 26 -6.341 4.074 -4.121 242 HD2 PHE 26 HD1 PHE 26 -4.315 0.716 -2.472 243 HE1 PHE 26 HE2 PHE 26 -6.077 3.127 -6.378 244 HE2 PHE 26 HE1 PHE 26 -4.046 -0.235 -4.722 245 HZ PHE 26 HZ PHE 26 -4.932 0.964 -6.679 246 H MET 27 H MET 27 -6.361 0.986 0.178 247 HA MET 27 HA MET 27 -7.338 -1.148 -1.352 248 HB2 MET 27 HB3 MET 27 -6.890 -0.887 1.618 249 HB3 MET 27 HB2 MET 27 -7.317 -2.399 0.829 250 HG2 MET 27 HG3 MET 27 -5.287 -2.365 -0.454 251 HG3 MET 27 HG2 MET 27 -4.873 -0.774 0.184 252 HE1 MET 27 HE1 MET 27 -2.324 -3.429 1.753 253 HE2 MET 27 HE2 MET 27 -2.475 -2.077 0.628 254 HE3 MET 27 HE3 MET 27 -3.158 -3.650 0.213 255 H GLN 28 H GLN 28 -8.886 0.722 1.235 256 HA GLN 28 HA GLN 28 -11.331 -0.648 1.319 257 HB2 GLN 28 HB3 GLN 28 -10.663 1.076 2.961 258 HB3 GLN 28 HB2 GLN 28 -10.825 2.309 1.718 259 HG2 GLN 28 HG3 GLN 28 -13.245 1.572 1.515 260 HG3 GLN 28 HG2 GLN 28 -12.986 0.680 3.013 261 HE21 GLN 28 HE22 GLN 28 -14.786 2.885 2.501 262 HE22 GLN 28 HE21 GLN 28 -14.335 4.152 3.593 263 H ASP 29 H ASP 29 -10.375 2.220 -0.536 264 HA ASP 29 HA ASP 29 -12.815 2.668 -1.822 265 HB2 ASP 29 HB3 ASP 29 -10.005 3.326 -2.722 266 HB3 ASP 29 HB2 ASP 29 -11.449 3.890 -3.553 267 H VAL 30 H VAL 30 -10.004 0.787 -2.884 268 HA VAL 30 HA VAL 30 -10.936 0.144 -5.439 269 HB VAL 30 HB VAL 30 -9.067 -1.387 -3.627 270 HG11 VAL 30 HG11 VAL 30 -8.329 -2.583 -5.621 271 HG12 VAL 30 HG12 VAL 30 -9.575 -1.776 -6.575 272 HG13 VAL 30 HG13 VAL 30 -10.034 -2.896 -5.293 273 HG21 VAL 30 HG21 VAL 30 -8.314 0.848 -4.273 274 HG22 VAL 30 HG22 VAL 30 -8.551 0.439 -5.971 275 HG23 VAL 30 HG23 VAL 30 -7.326 -0.406 -5.023 276 H VAL 31 H VAL 31 -11.338 -1.634 -2.377 277 HA VAL 31 HA VAL 31 -12.665 -3.851 -3.572 278 HB VAL 31 HB VAL 31 -12.756 -2.961 -0.680 279 HG11 VAL 31 HG11 VAL 31 -14.520 -4.544 -1.213 280 HG12 VAL 31 HG12 VAL 31 -13.290 -5.311 -0.208 281 HG13 VAL 31 HG13 VAL 31 -13.345 -5.638 -1.940 282 HG21 VAL 31 HG21 VAL 31 -10.956 -4.580 -0.321 283 HG22 VAL 31 HG22 VAL 31 -10.466 -3.300 -1.431 284 HG23 VAL 31 HG23 VAL 31 -10.895 -4.893 -2.056 285 H ASN 32 H ASN 32 -13.743 -0.789 -2.265 286 HA ASN 32 HA ASN 32 -16.536 -1.591 -2.370 287 HB2 ASN 32 HB3 ASN 32 -15.151 0.945 -1.508 288 HB3 ASN 32 HB2 ASN 32 -16.903 0.848 -1.675 289 HD21 ASN 32 HD22 ASN 32 -14.145 -0.098 0.173 290 HD22 ASN 32 HD21 ASN 32 -15.019 -0.788 1.498 291 H SER 33 H SER 33 -14.272 -0.454 -4.502 292 HA SER 33 HA SER 33 -16.193 0.981 -6.171 293 HB2 SER 33 HB3 SER 33 -14.085 2.107 -5.999 294 HB3 SER 33 HB2 SER 33 -13.194 0.621 -6.324 295 HG SER 33 HG SER 33 -14.963 1.853 -8.178 296 H ASP 34 H ASP 34 -16.572 0.357 -8.342 297 HA ASP 34 HA ASP 34 -16.826 -2.405 -8.833 298 HB2 ASP 34 HB3 ASP 34 -16.921 -0.026 -10.692 299 HB3 ASP 34 HB2 ASP 34 -17.258 -1.672 -11.220 300 H THR 35 H THR 35 -14.129 -0.418 -8.963 301 HA THR 35 HA THR 35 -12.561 -1.402 -11.007 302 HB THR 35 HB THR 35 -11.598 -0.775 -8.207 303 HG1 THR 35 HG1 THR 35 -12.715 1.025 -8.884 304 HG21 THR 35 HG21 THR 35 -9.902 -1.819 -9.628 305 HG22 THR 35 HG22 THR 35 -9.517 -0.123 -9.327 306 HG23 THR 35 HG23 THR 35 -10.198 -0.610 -10.879 307 H PHE 36 H PHE 36 -13.047 -2.769 -7.735 308 HA PHE 36 HA PHE 36 -12.234 -5.371 -8.801 309 HB2 PHE 36 HB3 PHE 36 -10.835 -3.885 -6.633 310 HB3 PHE 36 HB2 PHE 36 -10.986 -5.630 -6.478 311 HD1 PHE 36 HD1 PHE 36 -9.910 -7.114 -8.096 312 HD2 PHE 36 HD2 PHE 36 -9.368 -2.898 -8.246 313 HE1 PHE 36 HE1 PHE 36 -7.945 -7.422 -9.539 314 HE2 PHE 36 HE2 PHE 36 -7.401 -3.198 -9.694 315 HZ PHE 36 HZ PHE 36 -6.687 -5.465 -10.340 316 H LYS 37 H LYS 37 -14.693 -3.889 -7.525 317 HA LYS 37 HA LYS 37 -15.283 -5.338 -5.156 318 HB2 LYS 37 HB3 LYS 37 -16.376 -3.186 -5.820 319 HB3 LYS 37 HB2 LYS 37 -17.259 -4.066 -7.061 320 HG2 LYS 37 HG3 LYS 37 -18.356 -5.410 -5.364 321 HG3 LYS 37 HG2 LYS 37 -17.431 -4.601 -4.100 322 HD2 LYS 37 HD3 LYS 37 -19.699 -3.702 -4.266 323 HD3 LYS 37 HD2 LYS 37 -18.490 -2.480 -4.664 324 HE2 LYS 37 HE3 LYS 37 -18.906 -2.775 -7.021 325 HE3 LYS 37 HE2 LYS 37 -20.006 -4.113 -6.694 326 HZ1 LYS 37 HZ1 LYS 37 -21.555 -2.650 -5.698 327 HZ2 LYS 37 HZ2 LYS 37 -21.098 -1.938 -7.166 328 HZ3 LYS 37 HZ3 LYS 37 -20.462 -1.353 -5.703 329 H GLY 38 H GLY 38 -15.257 -6.244 -8.417 330 HA2 GLY 38 HA3 GLY 38 -17.251 -8.265 -8.379 331 HA3 GLY 38 HA2 GLY 38 -15.903 -8.161 -9.503 332 H GLN 39 H GLN 39 -14.144 -8.041 -6.972 333 HA GLN 39 HA GLN 39 -13.922 -10.953 -6.696 334 HB2 GLN 39 HB3 GLN 39 -11.936 -8.764 -6.038 335 HB3 GLN 39 HB2 GLN 39 -11.638 -10.490 -5.881 336 HG2 GLN 39 HG3 GLN 39 -12.208 -9.015 -8.441 337 HG3 GLN 39 HG2 GLN 39 -10.635 -9.605 -7.904 338 HE21 GLN 39 HE22 GLN 39 -12.225 -10.225 -10.301 339 HE22 GLN 39 HE21 GLN 39 -12.401 -11.949 -10.300 340 HA PRO 40 HA PRO 40 -15.618 -10.742 -2.624 341 HB2 PRO 40 HB2 PRO 40 -14.399 -12.999 -1.604 342 HB3 PRO 40 HB3 PRO 40 -15.863 -13.009 -2.590 343 HG2 PRO 40 HG3 PRO 40 -13.036 -13.531 -3.389 344 HG3 PRO 40 HG2 PRO 40 -14.521 -14.334 -3.928 345 HD2 PRO 40 HD3 PRO 40 -13.253 -12.503 -5.444 346 HD3 PRO 40 HD2 PRO 40 -15.021 -12.666 -5.446 347 H ILE 41 H ILE 41 -12.349 -12.098 -2.327 348 HA ILE 41 HA ILE 41 -11.539 -9.841 -0.634 349 HB ILE 41 HB ILE 41 -11.044 -12.750 0.081 350 HG12 ILE 41 HG13 ILE 41 -13.391 -12.089 0.495 351 HG13 ILE 41 HG12 ILE 41 -12.517 -12.417 1.987 352 HG21 ILE 41 HG21 ILE 41 -10.117 -11.862 2.170 353 HG22 ILE 41 HG22 ILE 41 -10.347 -10.221 1.564 354 HG23 ILE 41 HG23 ILE 41 -9.217 -11.308 0.757 355 HD11 ILE 41 HD11 ILE 41 -13.129 -9.694 0.859 356 HD12 ILE 41 HD12 ILE 41 -12.249 -10.018 2.352 357 HD13 ILE 41 HD13 ILE 41 -13.948 -10.473 2.215 358 H PHE 42 H PHE 42 -9.216 -9.540 -0.626 359 HA PHE 42 HA PHE 42 -7.963 -10.600 -3.027 360 HB2 PHE 42 HB3 PHE 42 -7.092 -8.456 -1.085 361 HB3 PHE 42 HB2 PHE 42 -6.154 -8.953 -2.487 362 HD1 PHE 42 HD1 PHE 42 -8.209 -9.258 -4.540 363 HD2 PHE 42 HD2 PHE 42 -7.767 -6.291 -1.521 364 HE1 PHE 42 HE1 PHE 42 -9.426 -7.650 -5.947 365 HE2 PHE 42 HE2 PHE 42 -8.988 -4.681 -2.921 366 HZ PHE 42 HZ PHE 42 -9.819 -5.358 -5.137 367 H ASP 43 H ASP 43 -5.293 -10.518 -2.298 368 HA ASP 43 HA ASP 43 -4.967 -12.452 -0.142 369 HB2 ASP 43 HB3 ASP 43 -4.241 -12.943 -3.033 370 HB3 ASP 43 HB2 ASP 43 -3.486 -13.825 -1.710 371 H HIS 44 H HIS 44 -2.427 -13.053 -0.197 372 HA HIS 44 HA HIS 44 -1.039 -10.595 0.291 373 HB2 HIS 44 HB3 HIS 44 -0.135 -13.477 0.195 374 HB3 HIS 44 HB2 HIS 44 0.982 -12.152 0.497 375 HD1 HIS 44 HD1 HIS 44 1.466 -13.094 2.885 376 HD2 HIS 44 HD2 HIS 44 -2.495 -11.996 2.231 377 HE1 HIS 44 HE1 HIS 44 0.400 -13.001 5.161 378 HE2 HIS 44 HE2 HIS 44 -2.005 -12.355 4.753 379 H ALA 45 H ALA 45 -1.427 -12.700 -2.421 380 HA ALA 45 HA ALA 45 0.665 -11.676 -4.042 381 HB1 ALA 45 HB1 ALA 45 -0.475 -13.776 -4.574 382 HB2 ALA 45 HB2 ALA 45 -0.574 -12.639 -5.918 383 HB3 ALA 45 HB3 ALA 45 -1.971 -12.890 -4.870 384 H HIS 46 H HIS 46 -2.761 -10.780 -3.703 385 HA HIS 46 HA HIS 46 -2.530 -8.589 -5.499 386 HB2 HIS 46 HB3 HIS 46 -4.580 -9.297 -3.416 387 HB3 HIS 46 HB2 HIS 46 -4.654 -7.777 -4.297 388 HD1 HIS 46 HD1 HIS 46 -4.160 -8.544 -7.142 389 HD2 HIS 46 HD2 HIS 46 -6.375 -10.949 -4.570 390 HE1 HIS 46 HE1 HIS 46 -5.664 -9.907 -8.615 391 HE2 HIS 46 HE2 HIS 46 -6.862 -11.482 -7.057 392 H THR 47 H THR 47 -1.808 -9.030 -2.118 393 HA THR 47 HA THR 47 -1.395 -6.314 -1.448 394 HB THR 47 HB THR 47 0.101 -8.748 -0.440 395 HG1 THR 47 HG1 THR 47 -2.129 -7.407 0.723 396 HG21 THR 47 HG21 THR 47 -0.188 -5.993 0.770 397 HG22 THR 47 HG22 THR 47 1.282 -6.673 0.071 398 HG23 THR 47 HG23 THR 47 0.596 -7.378 1.535 399 H ARG 48 H ARG 48 0.873 -8.823 -2.529 400 HA ARG 48 HA ARG 48 3.146 -7.353 -3.041 401 HB2 ARG 48 HB3 ARG 48 3.180 -9.721 -3.247 402 HB3 ARG 48 HB2 ARG 48 1.896 -9.712 -4.444 403 HG2 ARG 48 HG3 ARG 48 3.448 -8.656 -6.046 404 HG3 ARG 48 HG2 ARG 48 4.731 -8.783 -4.837 405 HD2 ARG 48 HD3 ARG 48 4.360 -11.231 -4.769 406 HD3 ARG 48 HD2 ARG 48 3.181 -11.058 -6.067 407 HE ARG 48 HE ARG 48 5.450 -9.903 -7.051 408 HH11 ARG 48 HH11 ARG 48 4.638 -13.053 -5.748 409 HH12 ARG 48 HH12 ARG 48 5.876 -13.882 -6.646 410 HH21 ARG 48 HH22 ARG 48 7.024 -10.972 -8.260 411 HH22 ARG 48 HH21 ARG 48 7.214 -12.696 -8.114 412 H GLU 49 H GLU 49 0.431 -7.975 -5.181 413 HA GLU 49 HA GLU 49 1.176 -6.510 -7.409 414 HB2 GLU 49 HB3 GLU 49 -1.434 -7.322 -6.188 415 HB3 GLU 49 HB2 GLU 49 -1.413 -6.345 -7.656 416 HG2 GLU 49 HG3 GLU 49 -0.269 -8.072 -8.848 417 HG3 GLU 49 HG2 GLU 49 -0.022 -8.996 -7.364 418 H PHE 50 H PHE 50 -0.971 -5.448 -4.759 419 HA PHE 50 HA PHE 50 -1.329 -2.852 -5.819 420 HB2 PHE 50 HB3 PHE 50 -2.052 -4.224 -3.280 421 HB3 PHE 50 HB2 PHE 50 -2.143 -2.467 -3.329 422 HD1 PHE 50 HD2 PHE 50 -2.974 -5.084 -5.865 423 HD2 PHE 50 HD1 PHE 50 -4.337 -1.850 -3.460 424 HE1 PHE 50 HE2 PHE 50 -5.174 -5.201 -6.960 425 HE2 PHE 50 HE1 PHE 50 -6.535 -1.959 -4.553 426 HZ PHE 50 HZ PHE 50 -6.955 -3.629 -6.308 427 H ILE 51 H ILE 51 0.826 -4.088 -3.278 428 HA ILE 51 HA ILE 51 1.691 -1.540 -2.414 429 HB ILE 51 HB ILE 51 3.101 -4.206 -2.216 430 HG12 ILE 51 HG13 ILE 51 0.982 -4.190 -1.028 431 HG13 ILE 51 HG12 ILE 51 2.291 -4.111 0.145 432 HG21 ILE 51 HG21 ILE 51 4.452 -3.158 -0.450 433 HG22 ILE 51 HG22 ILE 51 3.705 -1.603 -0.816 434 HG23 ILE 51 HG23 ILE 51 4.715 -2.402 -2.022 435 HD11 ILE 51 HD11 ILE 51 0.630 -1.790 -0.802 436 HD12 ILE 51 HD12 ILE 51 1.935 -1.715 0.383 437 HD13 ILE 51 HD13 ILE 51 0.470 -2.629 0.740 438 H GLN 52 H GLN 52 2.835 -3.719 -4.944 439 HA GLN 52 HA GLN 52 5.118 -2.262 -5.702 440 HB2 GLN 52 HB3 GLN 52 4.753 -4.498 -6.548 441 HB3 GLN 52 HB2 GLN 52 3.261 -4.005 -7.333 442 HG2 GLN 52 HG3 GLN 52 5.061 -4.271 -8.939 443 HG3 GLN 52 HG2 GLN 52 4.512 -2.599 -8.872 444 HE21 GLN 52 HE22 GLN 52 5.867 -1.026 -8.034 445 HE22 GLN 52 HE21 GLN 52 7.562 -1.291 -7.796 446 H SER 53 H SER 53 1.739 -2.058 -6.808 447 HA SER 53 HA SER 53 2.150 0.028 -8.662 448 HB2 SER 53 HB3 SER 53 -0.378 -0.613 -7.125 449 HB3 SER 53 HB2 SER 53 -0.267 0.262 -8.653 450 HG SER 53 HG SER 53 0.361 -1.602 -9.672 451 H PHE 54 H PHE 54 1.644 0.007 -5.204 452 HA PHE 54 HA PHE 54 1.051 2.756 -4.872 453 HB2 PHE 54 HB3 PHE 54 0.659 1.022 -3.137 454 HB3 PHE 54 HB2 PHE 54 2.399 0.866 -2.928 455 HD1 PHE 54 HD1 PHE 54 -0.419 3.256 -2.631 456 HD2 PHE 54 HD2 PHE 54 3.553 2.270 -1.461 457 HE1 PHE 54 HE1 PHE 54 -0.475 5.047 -0.947 458 HE2 PHE 54 HE2 PHE 54 3.504 4.060 0.228 459 HZ PHE 54 HZ PHE 54 1.486 5.450 0.487 460 H ILE 55 H ILE 55 4.082 0.926 -4.828 461 HA ILE 55 HA ILE 55 5.728 3.228 -4.358 462 HB ILE 55 HB ILE 55 6.487 0.500 -5.430 463 HG12 ILE 55 HG13 ILE 55 6.636 1.593 -2.611 464 HG13 ILE 55 HG12 ILE 55 5.409 0.471 -3.186 465 HG21 ILE 55 HG21 ILE 55 8.173 2.186 -5.936 466 HG22 ILE 55 HG22 ILE 55 8.758 1.070 -4.702 467 HG23 ILE 55 HG23 ILE 55 8.204 2.681 -4.243 468 HD11 ILE 55 HD11 ILE 55 8.364 -0.062 -3.022 469 HD12 ILE 55 HD12 ILE 55 7.152 -1.189 -3.628 470 HD13 ILE 55 HD13 ILE 55 7.124 -0.688 -1.936 471 H GLU 56 H GLU 56 4.550 1.487 -7.144 472 HA GLU 56 HA GLU 56 6.138 2.631 -9.153 473 HB2 GLU 56 HB3 GLU 56 4.630 0.651 -9.386 474 HB3 GLU 56 HB2 GLU 56 3.255 1.742 -9.345 475 HG2 GLU 56 HG3 GLU 56 3.996 2.791 -11.398 476 HG3 GLU 56 HG2 GLU 56 5.427 1.758 -11.426 477 H ARG 57 H ARG 57 3.300 3.774 -7.469 478 HA ARG 57 HA ARG 57 2.572 5.931 -9.087 479 HB2 ARG 57 HB3 ARG 57 1.295 5.060 -7.120 480 HB3 ARG 57 HB2 ARG 57 2.480 5.818 -6.067 481 HG2 ARG 57 HG3 ARG 57 1.882 8.007 -7.147 482 HG3 ARG 57 HG2 ARG 57 0.545 7.163 -7.929 483 HD2 ARG 57 HD3 ARG 57 1.009 7.447 -4.963 484 HD3 ARG 57 HD2 ARG 57 -0.228 8.265 -5.915 485 HE ARG 57 HE ARG 57 -0.431 5.423 -6.134 486 HH11 ARG 57 HH11 ARG 57 -1.207 8.160 -4.079 487 HH12 ARG 57 HH12 ARG 57 -2.525 7.348 -3.291 488 HH21 ARG 57 HH22 ARG 57 -2.152 4.360 -5.083 489 HH22 ARG 57 HH21 ARG 57 -3.042 5.182 -3.832 490 H ASP 58 H ASP 58 5.066 5.626 -6.616 491 HA ASP 58 HA ASP 58 5.754 8.421 -6.643 492 HB2 ASP 58 HB3 ASP 58 6.106 6.725 -4.713 493 HB3 ASP 58 HB2 ASP 58 7.534 6.222 -5.618 494 H ASP 59 H ASP 59 6.858 5.476 -8.158 495 HA ASP 59 HA ASP 59 9.295 6.353 -9.220 496 HB2 ASP 59 HB3 ASP 59 8.333 3.978 -9.180 497 HB3 ASP 59 HB2 ASP 59 7.426 4.435 -10.618 498 H THR 60 H THR 60 5.985 6.728 -10.332 499 HA THR 60 HA THR 60 6.516 7.844 -12.857 500 HB THR 60 HB THR 60 4.167 8.369 -11.027 501 HG1 THR 60 HG1 THR 60 4.934 6.168 -12.373 502 HG21 THR 60 HG21 THR 60 2.958 8.957 -13.079 503 HG22 THR 60 HG22 THR 60 4.437 8.744 -14.014 504 HG23 THR 60 HG23 THR 60 4.330 10.033 -12.816 505 H GLU 61 H GLU 61 6.314 9.292 -9.638 506 HA GLU 61 HA GLU 61 6.441 11.998 -10.537 507 HB2 GLU 61 HB3 GLU 61 7.183 10.808 -7.854 508 HB3 GLU 61 HB2 GLU 61 6.963 12.519 -8.184 509 HG2 GLU 61 HG3 GLU 61 4.828 10.410 -8.393 510 HG3 GLU 61 HG2 GLU 61 5.034 11.539 -7.055 511 H LEU 62 H LEU 62 8.728 9.593 -9.446 512 HA LEU 62 HA LEU 62 11.066 11.134 -9.479 513 HB2 LEU 62 HB3 LEU 62 10.928 8.965 -8.403 514 HB3 LEU 62 HB2 LEU 62 10.606 8.184 -9.936 515 HG LEU 62 HG LEU 62 12.881 8.707 -10.690 516 HD11 LEU 62 HD11 LEU 62 14.520 9.632 -9.173 517 HD12 LEU 62 HD12 LEU 62 13.297 9.805 -7.913 518 HD13 LEU 62 HD13 LEU 62 13.190 10.770 -9.386 519 HD21 LEU 62 HD21 LEU 62 12.674 7.313 -8.022 520 HD22 LEU 62 HD22 LEU 62 14.057 7.200 -9.114 521 HD23 LEU 62 HD23 LEU 62 12.482 6.588 -9.618 522 H ASP 63 H ASP 63 9.462 9.249 -11.998 523 HA ASP 63 HA ASP 63 11.490 9.549 -13.947 524 HB2 ASP 63 HB3 ASP 63 9.454 7.908 -13.836 525 HB3 ASP 63 HB2 ASP 63 8.605 9.194 -14.688 526 H GLU 64 H GLU 64 8.720 11.514 -13.048 527 HA GLU 64 HA GLU 64 8.805 13.262 -15.271 528 HB2 GLU 64 HB3 GLU 64 7.510 13.272 -12.613 529 HB3 GLU 64 HB2 GLU 64 7.748 14.844 -13.363 530 HG2 GLU 64 HG3 GLU 64 6.370 12.519 -14.686 531 HG3 GLU 64 HG2 GLU 64 5.542 13.826 -13.840 532 H LEU 65 H LEU 65 10.283 13.489 -12.032 533 HA LEU 65 HA LEU 65 11.595 15.956 -12.510 534 HB2 LEU 65 HB3 LEU 65 12.360 13.682 -10.671 535 HB3 LEU 65 HB2 LEU 65 13.109 15.267 -10.656 536 HG LEU 65 HG LEU 65 10.233 14.645 -9.981 537 HD11 LEU 65 HD11 LEU 65 10.872 15.377 -7.738 538 HD12 LEU 65 HD12 LEU 65 12.541 15.567 -8.278 539 HD13 LEU 65 HD13 LEU 65 11.796 13.967 -8.254 540 HD21 LEU 65 HD21 LEU 65 10.064 17.005 -9.371 541 HD22 LEU 65 HD22 LEU 65 10.414 16.809 -11.088 542 HD23 LEU 65 HD23 LEU 65 11.696 17.282 -9.974 543 H LYS 66 H LYS 66 12.468 12.613 -12.971 544 HA LYS 66 HA LYS 66 15.105 12.784 -13.817 545 HB2 LYS 66 HB3 LYS 66 13.613 10.768 -13.323 546 HB3 LYS 66 HB2 LYS 66 13.005 10.944 -14.956 547 HG2 LYS 66 HG3 LYS 66 15.241 10.541 -15.835 548 HG3 LYS 66 HG2 LYS 66 15.854 10.368 -14.185 549 HD2 LYS 66 HD3 LYS 66 14.129 8.557 -13.860 550 HD3 LYS 66 HD2 LYS 66 13.837 8.635 -15.596 551 HE2 LYS 66 HE3 LYS 66 16.177 8.071 -16.014 552 HE3 LYS 66 HE2 LYS 66 16.468 8.003 -14.275 553 HZ1 LYS 66 HZ1 LYS 66 14.876 6.190 -14.112 554 HZ2 LYS 66 HZ2 LYS 66 16.118 5.798 -15.199 555 HZ3 LYS 66 HZ3 LYS 66 14.591 6.256 -15.782 556 H LYS 67 H LYS 67 12.104 13.039 -15.652 557 HA LYS 67 HA LYS 67 13.311 13.431 -18.194 558 HB2 LYS 67 HB3 LYS 67 11.041 12.583 -17.947 559 HB3 LYS 67 HB2 LYS 67 10.542 14.078 -17.173 560 HG2 LYS 67 HG3 LYS 67 11.029 15.285 -19.271 561 HG3 LYS 67 HG2 LYS 67 11.415 13.736 -20.031 562 HD2 LYS 67 HD3 LYS 67 9.161 12.935 -19.571 563 HD3 LYS 67 HD2 LYS 67 8.770 14.461 -18.777 564 HE2 LYS 67 HE3 LYS 67 9.167 15.642 -20.896 565 HE3 LYS 67 HE2 LYS 67 9.511 14.098 -21.676 566 HZ1 LYS 67 HZ1 LYS 67 6.937 14.777 -20.363 567 HZ2 LYS 67 HZ2 LYS 67 7.283 13.374 -21.252 568 HZ3 LYS 67 HZ3 LYS 67 7.220 14.881 -22.032 569 H LYS 68 H LYS 68 12.000 15.614 -15.738 570 HA LYS 68 HA LYS 68 12.202 17.976 -17.266 571 HB2 LYS 68 HB3 LYS 68 10.786 17.781 -15.267 572 HB3 LYS 68 HB2 LYS 68 12.221 17.633 -14.264 573 HG2 LYS 68 HG3 LYS 68 12.880 19.875 -14.759 574 HG3 LYS 68 HG2 LYS 68 11.598 20.038 -15.957 575 HD2 LYS 68 HD3 LYS 68 10.894 19.363 -13.136 576 HD3 LYS 68 HD2 LYS 68 11.310 21.025 -13.550 577 HE2 LYS 68 HE3 LYS 68 8.918 20.739 -13.666 578 HE3 LYS 68 HE2 LYS 68 9.560 21.008 -15.282 579 HZ1 LYS 68 HZ1 LYS 68 8.921 18.328 -14.181 580 HZ2 LYS 68 HZ2 LYS 68 9.330 18.705 -15.784 581 HZ3 LYS 68 HZ3 LYS 68 7.857 19.237 -15.134 582 H ARG 69 H ARG 69 14.483 16.219 -15.297 583 HA ARG 69 HA ARG 69 16.476 18.143 -14.973 584 HB2 ARG 69 HB3 ARG 69 16.612 16.033 -13.820 585 HB3 ARG 69 HB2 ARG 69 16.681 15.153 -15.340 586 HG2 ARG 69 HG3 ARG 69 18.866 16.128 -15.816 587 HG3 ARG 69 HG2 ARG 69 18.792 17.038 -14.307 588 HD2 ARG 69 HD3 ARG 69 18.799 15.004 -13.022 589 HD3 ARG 69 HD2 ARG 69 18.691 14.032 -14.490 590 HE ARG 69 HE ARG 69 20.940 14.974 -15.056 591 HH11 ARG 69 HH11 ARG 69 19.873 14.739 -11.727 592 HH12 ARG 69 HH12 ARG 69 21.484 14.665 -11.085 593 HH21 ARG 69 HH22 ARG 69 23.052 14.848 -14.214 594 HH22 ARG 69 HH21 ARG 69 23.291 14.726 -12.497 595 H ARG 70 H ARG 70 15.646 16.165 -17.744 596 HA ARG 70 HA ARG 70 18.055 16.635 -19.193 597 HB2 ARG 70 HB3 ARG 70 15.363 15.822 -20.293 598 HB3 ARG 70 HB2 ARG 70 16.931 15.582 -21.050 599 HG2 ARG 70 HG3 ARG 70 17.566 14.028 -19.301 600 HG3 ARG 70 HG2 ARG 70 16.029 14.303 -18.478 601 HD2 ARG 70 HD3 ARG 70 14.891 13.501 -20.568 602 HD3 ARG 70 HD2 ARG 70 16.480 13.020 -21.163 603 HE ARG 70 HE ARG 70 16.568 11.612 -19.048 604 HH11 ARG 70 HH11 ARG 70 13.609 12.363 -20.776 605 HH12 ARG 70 HH12 ARG 70 12.761 10.959 -20.184 606 HH21 ARG 70 HH22 ARG 70 15.446 9.782 -18.266 607 HH22 ARG 70 HH21 ARG 70 13.795 9.519 -18.730 608 H SER 71 H SER 71 15.334 18.559 -18.570 609 HA SER 71 HA SER 71 15.432 20.020 -21.067 610 HB2 SER 71 HB3 SER 71 13.279 19.573 -19.902 611 HB3 SER 71 HB2 SER 71 13.819 20.589 -18.569 612 HG SER 71 HG SER 71 12.947 21.283 -21.120 613 H ASN 72 H ASN 72 15.592 21.118 -17.660 614 HA ASN 72 HA ASN 72 17.724 22.989 -18.451 615 HB2 ASN 72 HB3 ASN 72 15.250 23.923 -18.310 616 HB3 ASN 72 HB2 ASN 72 15.575 23.912 -16.582 617 HD21 ASN 72 HD22 ASN 72 15.052 26.164 -18.232 618 HD22 ASN 72 HD21 ASN 72 16.445 27.193 -18.166 619 H ARG 73 H ARG 73 17.185 20.453 -16.697 620 HA ARG 73 HA ARG 73 17.714 19.586 -14.657 621 HB2 ARG 73 HB3 ARG 73 19.843 21.687 -15.016 622 HB3 ARG 73 HB2 ARG 73 19.848 20.571 -13.658 623 HG2 ARG 73 HG3 ARG 73 20.159 18.706 -15.066 624 HG3 ARG 73 HG2 ARG 73 19.775 19.643 -16.511 625 HD2 ARG 73 HD3 ARG 73 22.150 20.198 -14.742 626 HD3 ARG 73 HD2 ARG 73 22.217 19.161 -16.167 627 HE ARG 73 HE ARG 73 21.154 21.450 -17.135 628 HH11 ARG 73 HH11 ARG 73 24.037 20.759 -15.256 629 HH12 ARG 73 HH12 ARG 73 24.930 22.106 -15.906 630 HH21 ARG 73 HH22 ARG 73 22.323 23.215 -17.988 631 HH22 ARG 73 HH21 ARG 73 23.954 23.508 -17.457 632 HA PRO 74 HA PRO 74 15.871 23.408 -12.398 633 HB2 PRO 74 HB2 PRO 74 13.330 21.901 -12.432 634 HB3 PRO 74 HB3 PRO 74 13.636 23.611 -12.762 635 HG2 PRO 74 HG3 PRO 74 13.047 21.920 -14.741 636 HG3 PRO 74 HG2 PRO 74 14.242 23.213 -14.966 637 HD2 PRO 74 HD3 PRO 74 14.695 20.296 -14.424 638 HD3 PRO 74 HD2 PRO 74 15.512 21.361 -15.588 639 HA PRO 75 HA PRO 75 14.616 20.413 -8.883 640 HB2 PRO 75 HB2 PRO 75 14.812 17.665 -9.848 641 HB3 PRO 75 HB3 PRO 75 13.454 18.475 -9.063 642 HG2 PRO 75 HG3 PRO 75 13.413 17.760 -11.672 643 HG3 PRO 75 HG2 PRO 75 12.553 19.184 -11.054 644 HD2 PRO 75 HD3 PRO 75 15.178 19.027 -12.488 645 HD3 PRO 75 HD2 PRO 75 13.851 20.190 -12.691 646 H SER 76 H SER 76 16.698 18.509 -11.010 647 HA SER 76 HA SER 76 18.719 17.541 -10.765 648 HB2 SER 76 HB3 SER 76 19.191 20.040 -9.130 649 HB3 SER 76 HB2 SER 76 20.468 18.934 -9.637 650 HG SER 76 HG SER 76 18.982 20.753 -11.135 651 H ASN 77 H ASN 77 18.899 18.939 -7.526 652 HA ASN 77 HA ASN 77 19.618 16.431 -6.404 653 HB2 ASN 77 HB3 ASN 77 19.023 19.130 -5.220 654 HB3 ASN 77 HB2 ASN 77 19.321 17.729 -4.196 655 HD21 ASN 77 HD22 ASN 77 21.352 16.766 -4.198 656 HD22 ASN 77 HD21 ASN 77 22.759 17.585 -4.807 657 H ARG 78 H ARG 78 16.609 18.173 -6.692 658 HA ARG 78 HA ARG 78 15.142 16.759 -4.757 659 HB2 ARG 78 HB3 ARG 78 14.316 18.202 -7.260 660 HB3 ARG 78 HB2 ARG 78 13.141 17.373 -6.245 661 HG2 ARG 78 HG3 ARG 78 13.821 18.753 -4.343 662 HG3 ARG 78 HG2 ARG 78 14.972 19.599 -5.378 663 HD2 ARG 78 HD3 ARG 78 13.159 20.403 -6.775 664 HD3 ARG 78 HD2 ARG 78 11.990 19.499 -5.814 665 HE ARG 78 HE ARG 78 13.263 21.099 -4.008 666 HH11 ARG 78 HH11 ARG 78 11.507 21.665 -6.988 667 HH12 ARG 78 HH12 ARG 78 10.945 23.237 -6.506 668 HH21 ARG 78 HH22 ARG 78 12.513 23.159 -3.369 669 HH22 ARG 78 HH21 ARG 78 11.529 24.089 -4.463 670 H GLN 79 H GLN 79 16.029 15.942 -8.045 671 HA GLN 79 HA GLN 79 14.268 13.742 -8.352 672 HB2 GLN 79 HB3 GLN 79 15.433 14.767 -10.261 673 HB3 GLN 79 HB2 GLN 79 16.978 14.239 -9.610 674 HG2 GLN 79 HG3 GLN 79 16.176 11.887 -9.823 675 HG3 GLN 79 HG2 GLN 79 14.752 12.510 -10.651 676 HE21 GLN 79 HE22 GLN 79 16.840 10.719 -11.617 677 HE22 GLN 79 HE21 GLN 79 17.504 11.489 -13.020 678 H VAL 80 H VAL 80 17.627 14.027 -7.299 679 HA VAL 80 HA VAL 80 18.013 11.278 -6.740 680 HB VAL 80 HB VAL 80 19.486 13.599 -5.474 681 HG11 VAL 80 HG11 VAL 80 21.340 11.996 -5.327 682 HG12 VAL 80 HG12 VAL 80 20.295 10.741 -5.993 683 HG13 VAL 80 HG13 VAL 80 19.924 11.453 -4.423 684 HG21 VAL 80 HG21 VAL 80 19.478 13.865 -7.895 685 HG22 VAL 80 HG22 VAL 80 20.043 12.206 -8.091 686 HG23 VAL 80 HG23 VAL 80 21.082 13.406 -7.323 687 H LEU 81 H LEU 81 16.871 14.011 -4.853 688 HA LEU 81 HA LEU 81 16.852 12.720 -2.333 689 HB2 LEU 81 HB3 LEU 81 16.747 15.180 -2.683 690 HB3 LEU 81 HB2 LEU 81 15.118 14.993 -3.300 691 HG LEU 81 HG LEU 81 14.392 14.136 -1.106 692 HD11 LEU 81 HD11 LEU 81 16.517 13.188 -0.370 693 HD12 LEU 81 HD12 LEU 81 15.876 14.322 0.819 694 HD13 LEU 81 HD13 LEU 81 17.200 14.808 -0.239 695 HD21 LEU 81 HD21 LEU 81 14.177 16.504 -1.623 696 HD22 LEU 81 HD22 LEU 81 15.807 16.796 -1.016 697 HD23 LEU 81 HD23 LEU 81 14.536 16.266 0.087 698 H LEU 82 H LEU 82 14.393 13.137 -4.860 699 HA LEU 82 HA LEU 82 12.342 11.710 -3.531 700 HB2 LEU 82 HB3 LEU 82 11.836 13.178 -5.382 701 HB3 LEU 82 HB2 LEU 82 12.841 12.234 -6.461 702 HG LEU 82 HG LEU 82 11.270 10.387 -6.384 703 HD11 LEU 82 HD11 LEU 82 10.492 10.576 -4.100 704 HD12 LEU 82 HD12 LEU 82 9.124 10.606 -5.217 705 HD13 LEU 82 HD13 LEU 82 9.695 12.104 -4.476 706 HD21 LEU 82 HD21 LEU 82 9.391 11.433 -7.495 707 HD22 LEU 82 HD22 LEU 82 10.901 12.193 -7.999 708 HD23 LEU 82 HD23 LEU 82 9.851 13.004 -6.838 709 H GLN 83 H GLN 83 14.939 10.749 -5.710 710 HA GLN 83 HA GLN 83 14.304 8.033 -5.943 711 HB2 GLN 83 HB3 GLN 83 16.005 9.022 -7.330 712 HB3 GLN 83 HB2 GLN 83 16.968 9.458 -5.926 713 HG2 GLN 83 HG3 GLN 83 17.392 7.117 -5.463 714 HG3 GLN 83 HG2 GLN 83 16.375 6.649 -6.826 715 HE21 GLN 83 HE22 GLN 83 19.241 6.197 -6.249 716 HE22 GLN 83 HE21 GLN 83 20.081 6.804 -7.636 717 H GLN 84 H GLN 84 16.216 9.765 -3.515 718 HA GLN 84 HA GLN 84 16.838 7.524 -1.920 719 HB2 GLN 84 HB3 GLN 84 16.665 10.470 -1.304 720 HB3 GLN 84 HB2 GLN 84 17.170 9.281 -0.109 721 HG2 GLN 84 HG3 GLN 84 19.077 8.682 -1.406 722 HG3 GLN 84 HG2 GLN 84 18.516 9.645 -2.771 723 HE21 GLN 84 HE22 GLN 84 20.452 10.800 -2.784 724 HE22 GLN 84 HE21 GLN 84 20.794 12.026 -1.612 725 H ARG 85 H ARG 85 14.067 9.674 -2.020 726 HA ARG 85 HA ARG 85 12.819 8.713 0.350 727 HB2 ARG 85 HB3 ARG 85 12.355 10.862 -1.084 728 HB3 ARG 85 HB2 ARG 85 11.284 9.804 -1.992 729 HG2 ARG 85 HG3 ARG 85 10.821 9.559 0.844 730 HG3 ARG 85 HG2 ARG 85 10.690 11.236 0.317 731 HD2 ARG 85 HD3 ARG 85 8.529 10.216 0.170 732 HD3 ARG 85 HD2 ARG 85 9.129 10.496 -1.464 733 HE ARG 85 HE ARG 85 9.842 7.903 -0.740 734 HH11 ARG 85 HH11 ARG 85 6.917 9.751 -1.242 735 HH12 ARG 85 HH12 ARG 85 6.018 8.403 -1.866 736 HH21 ARG 85 HH22 ARG 85 8.658 6.116 -1.532 737 HH22 ARG 85 HH21 ARG 85 7.012 6.328 -2.019 738 H ARG 86 H ARG 86 12.560 7.920 -3.074 739 HA ARG 86 HA ARG 86 10.693 5.854 -2.999 740 HB2 ARG 86 HB3 ARG 86 11.674 6.868 -5.045 741 HB3 ARG 86 HB2 ARG 86 13.197 6.074 -4.692 742 HG2 ARG 86 HG3 ARG 86 11.840 3.888 -4.819 743 HG3 ARG 86 HG2 ARG 86 10.623 4.876 -5.638 744 HD2 ARG 86 HD3 ARG 86 12.517 5.661 -7.147 745 HD3 ARG 86 HD2 ARG 86 13.466 4.344 -6.467 746 HE ARG 86 HE ARG 86 11.027 4.027 -8.095 747 HH11 ARG 86 HH11 ARG 86 14.020 2.749 -6.799 748 HH12 ARG 86 HH12 ARG 86 14.001 1.337 -7.809 749 HH21 ARG 86 HH22 ARG 86 11.050 2.224 -9.485 750 HH22 ARG 86 HH21 ARG 86 12.342 1.057 -9.365 751 H ASP 87 H ASP 87 14.229 5.691 -2.765 752 HA ASP 87 HA ASP 87 14.408 2.925 -2.292 753 HB2 ASP 87 HB3 ASP 87 16.243 5.245 -2.051 754 HB3 ASP 87 HB2 ASP 87 16.689 3.777 -1.188 755 H GLN 88 H GLN 88 13.969 5.622 -0.094 756 HA GLN 88 HA GLN 88 14.700 4.320 2.282 757 HB2 GLN 88 HB3 GLN 88 14.353 6.772 2.063 758 HB3 GLN 88 HB2 GLN 88 12.621 6.487 1.950 759 HG2 GLN 88 HG3 GLN 88 12.631 5.513 4.188 760 HG3 GLN 88 HG2 GLN 88 14.366 5.804 4.306 761 HE21 GLN 88 HE22 GLN 88 12.206 6.778 5.972 762 HE22 GLN 88 HE21 GLN 88 12.291 8.513 5.912 763 H GLU 89 H GLU 89 11.493 4.727 0.776 764 HA GLU 89 HA GLU 89 10.135 3.157 2.705 765 HB2 GLU 89 HB3 GLU 89 9.315 3.655 -0.161 766 HB3 GLU 89 HB2 GLU 89 8.266 3.148 1.154 767 HG2 GLU 89 HG3 GLU 89 9.655 5.798 0.867 768 HG3 GLU 89 HG2 GLU 89 7.931 5.479 0.716 769 H LEU 90 H LEU 90 11.867 2.391 -0.235 770 HA LEU 90 HA LEU 90 11.036 -0.299 -0.503 771 HB2 LEU 90 HB3 LEU 90 13.592 1.082 -1.324 772 HB3 LEU 90 HB2 LEU 90 13.211 -0.575 -1.748 773 HG LEU 90 HG LEU 90 11.572 1.823 -2.568 774 HD11 LEU 90 HD11 LEU 90 13.557 0.183 -4.136 775 HD12 LEU 90 HD12 LEU 90 13.754 1.861 -3.632 776 HD13 LEU 90 HD13 LEU 90 12.505 1.433 -4.801 777 HD21 LEU 90 HD21 LEU 90 10.482 0.242 -4.085 778 HD22 LEU 90 HD22 LEU 90 10.267 -0.226 -2.399 779 HD23 LEU 90 HD23 LEU 90 11.443 -1.072 -3.406 780 H LYS 91 H LYS 91 13.627 1.244 1.331 781 HA LYS 91 HA LYS 91 14.835 -1.155 2.230 782 HB2 LYS 91 HB3 LYS 91 15.981 1.039 2.265 783 HB3 LYS 91 HB2 LYS 91 14.873 1.584 3.517 784 HG2 LYS 91 HG3 LYS 91 15.720 -0.196 4.999 785 HG3 LYS 91 HG2 LYS 91 16.875 -0.655 3.747 786 HD2 LYS 91 HD3 LYS 91 17.876 1.576 3.857 787 HD3 LYS 91 HD2 LYS 91 16.715 2.036 5.104 788 HE2 LYS 91 HE3 LYS 91 17.604 0.241 6.548 789 HE3 LYS 91 HE2 LYS 91 18.804 -0.132 5.311 790 HZ1 LYS 91 HZ1 LYS 91 19.735 2.069 5.572 791 HZ2 LYS 91 HZ2 LYS 91 19.696 1.281 7.075 792 HZ3 LYS 91 HZ3 LYS 91 18.548 2.475 6.719 793 H GLU 92 H GLU 92 12.294 0.931 3.534 794 HA GLU 92 HA GLU 92 11.996 -0.498 5.973 795 HB2 GLU 92 HB3 GLU 92 11.173 1.831 5.603 796 HB3 GLU 92 HB2 GLU 92 9.924 1.184 4.546 797 HG2 GLU 92 HG3 GLU 92 8.913 -0.003 6.363 798 HG3 GLU 92 HG2 GLU 92 10.243 0.419 7.439 799 H PHE 93 H PHE 93 10.616 -0.803 2.762 800 HA PHE 93 HA PHE 93 8.704 -2.803 3.347 801 HB2 PHE 93 HB3 PHE 93 8.924 -1.404 1.221 802 HB3 PHE 93 HB2 PHE 93 10.222 -2.489 0.749 803 HD1 PHE 93 HD2 PHE 93 7.549 -4.053 2.568 804 HD2 PHE 93 HD1 PHE 93 8.827 -2.836 -1.298 805 HE1 PHE 93 HE2 PHE 93 5.885 -5.551 1.554 806 HE2 PHE 93 HE1 PHE 93 7.159 -4.321 -2.323 807 HZ PHE 93 HZ PHE 93 5.687 -5.685 -0.896 808 H LYS 94 H LYS 94 12.130 -2.868 2.585 809 HA LYS 94 HA LYS 94 12.334 -5.715 2.397 810 HB2 LYS 94 HB3 LYS 94 13.884 -4.141 1.272 811 HB3 LYS 94 HB2 LYS 94 14.492 -3.649 2.845 812 HG2 LYS 94 HG3 LYS 94 15.272 -5.949 3.238 813 HG3 LYS 94 HG2 LYS 94 14.710 -6.395 1.625 814 HD2 LYS 94 HD3 LYS 94 16.234 -4.746 0.647 815 HD3 LYS 94 HD2 LYS 94 16.795 -4.311 2.262 816 HE2 LYS 94 HE3 LYS 94 17.585 -6.617 2.584 817 HE3 LYS 94 HE2 LYS 94 17.066 -7.008 0.943 818 HZ1 LYS 94 HZ1 LYS 94 18.621 -5.385 0.089 819 HZ2 LYS 94 HZ2 LYS 94 19.440 -6.513 1.056 820 HZ3 LYS 94 HZ3 LYS 94 19.100 -4.967 1.663 821 H ALA 95 H ALA 95 12.076 -3.551 4.983 822 HA ALA 95 HA ALA 95 13.307 -5.441 6.861 823 HB1 ALA 95 HB1 ALA 95 13.994 -3.088 7.053 824 HB2 ALA 95 HB2 ALA 95 13.179 -3.662 8.509 825 HB3 ALA 95 HB3 ALA 95 12.317 -2.636 7.363 826 H GLY 96 H GLY 96 10.315 -4.472 5.607 827 HA2 GLY 96 HA3 GLY 96 8.445 -5.986 6.272 828 HA3 GLY 96 HA2 GLY 96 8.887 -5.603 7.932 829 H PHE 97 H PHE 97 7.372 -4.454 5.020 830 HA PHE 97 HA PHE 97 6.795 -1.811 6.002 831 HB2 PHE 97 HB3 PHE 97 6.824 -3.028 3.533 832 HB3 PHE 97 HB2 PHE 97 5.101 -2.898 3.857 833 HD1 PHE 97 HD2 PHE 97 7.818 -0.555 4.808 834 HD2 PHE 97 HD1 PHE 97 4.394 -1.252 2.381 835 HE1 PHE 97 HE2 PHE 97 7.878 1.787 4.058 836 HE2 PHE 97 HE1 PHE 97 4.449 1.088 1.625 837 HZ PHE 97 HZ PHE 97 6.194 2.612 2.462 838 H LEU 98 H LEU 98 4.889 -1.089 6.964 839 HA LEU 98 HA LEU 98 3.309 -3.160 8.211 840 HB2 LEU 98 HB3 LEU 98 4.015 -1.086 9.414 841 HB3 LEU 98 HB2 LEU 98 2.926 -0.172 8.385 842 HG LEU 98 HG LEU 98 1.024 -1.524 9.275 843 HD11 LEU 98 HD11 LEU 98 1.362 -2.858 11.276 844 HD12 LEU 98 HD12 LEU 98 3.098 -2.552 11.208 845 HD13 LEU 98 HD13 LEU 98 2.316 -3.496 9.937 846 HD21 LEU 98 HD21 LEU 98 0.930 -0.408 11.439 847 HD22 LEU 98 HD22 LEU 98 1.559 0.679 10.199 848 HD23 LEU 98 HD23 LEU 98 2.660 -0.073 11.352 849 H CYS 99 H CYS 99 2.040 -4.148 6.753 850 HA CYS 99 HA CYS 99 -0.050 -2.490 5.514 851 HB2 CYS 99 HB3 CYS 99 1.293 -4.908 4.277 852 HB3 CYS 99 HB2 CYS 99 -0.048 -4.010 3.572 853 HG CYS 99 HG CYS 99 2.703 -2.211 4.319 854 HA PRO 100 HA PRO 100 -2.729 -5.346 7.533 855 HB2 PRO 100 HB2 PRO 100 -5.016 -5.018 6.159 856 HB3 PRO 100 HB3 PRO 100 -4.357 -3.742 7.188 857 HG2 PRO 100 HG3 PRO 100 -4.281 -4.019 4.221 858 HG3 PRO 100 HG2 PRO 100 -4.479 -2.560 5.208 859 HD2 PRO 100 HD3 PRO 100 -2.094 -3.380 4.021 860 HD3 PRO 100 HD2 PRO 100 -2.219 -2.257 5.390 861 H ASP 101 H ASP 101 -3.536 -7.449 7.383 862 HA ASP 101 HA ASP 101 -2.747 -9.044 5.181 863 HB2 ASP 101 HB3 ASP 101 -3.103 -9.938 7.494 864 HB3 ASP 101 HB2 ASP 101 -4.839 -9.738 7.260 865 H LEU 102 H LEU 102 -3.553 -8.648 3.259 866 HA LEU 102 HA LEU 102 -6.144 -7.473 2.903 867 HB2 LEU 102 HB3 LEU 102 -3.929 -7.029 1.639 868 HB3 LEU 102 HB2 LEU 102 -4.343 -8.457 0.712 869 HG LEU 102 HG LEU 102 -6.448 -7.358 0.011 870 HD11 LEU 102 HD11 LEU 102 -5.283 -4.974 1.448 871 HD12 LEU 102 HD12 LEU 102 -6.739 -5.859 1.904 872 HD13 LEU 102 HD13 LEU 102 -6.698 -4.947 0.394 873 HD21 LEU 102 HD21 LEU 102 -5.405 -5.777 -1.532 874 HD22 LEU 102 HD22 LEU 102 -4.451 -7.255 -1.394 875 HD23 LEU 102 HD23 LEU 102 -3.934 -5.790 -0.560 876 H SER 103 H SER 103 -5.425 -10.516 3.571 877 HA SER 103 HA SER 103 -7.277 -11.663 1.599 878 HB2 SER 103 HB3 SER 103 -6.138 -13.865 2.294 879 HB3 SER 103 HB2 SER 103 -5.210 -12.746 1.293 880 HG SER 103 HG SER 103 -4.992 -12.456 4.069 881 H ASP 104 H ASP 104 -7.355 -10.514 4.603 882 HA ASP 104 HA ASP 104 -8.925 -12.711 5.721 883 HB2 ASP 104 HB3 ASP 104 -7.257 -11.493 7.156 884 HB3 ASP 104 HB2 ASP 104 -8.277 -10.060 7.024 885 H ALA 105 H ALA 105 -11.067 -12.742 5.630 886 HA ALA 105 HA ALA 105 -12.436 -10.851 4.035 887 HB1 ALA 105 HB1 ALA 105 -14.423 -12.178 4.491 888 HB2 ALA 105 HB2 ALA 105 -13.579 -13.022 5.791 889 HB3 ALA 105 HB3 ALA 105 -13.050 -13.221 4.121 890 H LYS 106 H LYS 106 -12.457 -11.483 7.543 891 HA LYS 106 HA LYS 106 -14.531 -9.609 8.075 892 HB2 LYS 106 HB3 LYS 106 -13.937 -11.494 9.600 893 HB3 LYS 106 HB2 LYS 106 -12.453 -10.641 10.009 894 HG2 LYS 106 HG3 LYS 106 -13.738 -8.791 10.913 895 HG3 LYS 106 HG2 LYS 106 -15.240 -9.596 10.461 896 HD2 LYS 106 HD3 LYS 106 -14.561 -11.497 11.945 897 HD3 LYS 106 HD2 LYS 106 -13.213 -10.502 12.499 898 HE2 LYS 106 HE3 LYS 106 -15.046 -10.326 14.063 899 HE3 LYS 106 HE2 LYS 106 -14.819 -8.784 13.237 900 HZ1 LYS 106 HZ1 LYS 106 -16.664 -9.368 11.756 901 HZ2 LYS 106 HZ2 LYS 106 -17.153 -9.327 13.380 902 HZ3 LYS 106 HZ3 LYS 106 -16.895 -10.817 12.610 903 H ASN 107 H ASN 107 -10.995 -9.456 8.250 904 HA ASN 107 HA ASN 107 -11.020 -6.782 9.248 905 HB2 ASN 107 HB3 ASN 107 -8.874 -8.597 8.232 906 HB3 ASN 107 HB2 ASN 107 -8.534 -6.885 8.504 907 HD21 ASN 107 HD22 ASN 107 -8.690 -6.055 10.598 908 HD22 ASN 107 HD21 ASN 107 -8.638 -7.078 11.989 909 H MET 108 H MET 108 -11.104 -8.150 6.042 910 HA MET 108 HA MET 108 -10.601 -5.627 4.775 911 HB2 MET 108 HB3 MET 108 -10.239 -7.620 3.470 912 HB3 MET 108 HB2 MET 108 -11.895 -8.152 3.732 913 HG2 MET 108 HG3 MET 108 -12.768 -6.587 2.265 914 HG3 MET 108 HG2 MET 108 -11.349 -5.548 2.373 915 HE1 MET 108 HE1 MET 108 -9.212 -5.784 0.924 916 HE2 MET 108 HE2 MET 108 -8.742 -7.300 0.152 917 HE3 MET 108 HE3 MET 108 -8.908 -7.221 1.907 918 H GLU 109 H GLU 109 -13.353 -7.255 6.139 919 HA GLU 109 HA GLU 109 -15.327 -5.464 5.150 920 HB2 GLU 109 HB3 GLU 109 -15.865 -7.687 6.088 921 HB3 GLU 109 HB2 GLU 109 -15.338 -7.140 7.673 922 HG2 GLU 109 HG3 GLU 109 -17.794 -7.160 7.360 923 HG3 GLU 109 HG2 GLU 109 -17.136 -5.588 7.817 924 H PHE 110 H PHE 110 -13.426 -5.605 8.146 925 HA PHE 110 HA PHE 110 -14.258 -3.164 9.254 926 HB2 PHE 110 HB3 PHE 110 -11.763 -4.811 9.470 927 HB3 PHE 110 HB2 PHE 110 -11.783 -3.193 10.159 928 HD1 PHE 110 HD2 PHE 110 -13.775 -6.348 10.179 929 HD2 PHE 110 HD1 PHE 110 -12.467 -2.915 12.318 930 HE1 PHE 110 HE2 PHE 110 -14.846 -7.218 12.216 931 HE2 PHE 110 HE1 PHE 110 -13.536 -3.774 14.362 932 HZ PHE 110 HZ PHE 110 -14.727 -5.931 14.310 933 H LEU 111 H LEU 111 -11.789 -3.949 6.887 934 HA LEU 111 HA LEU 111 -10.663 -1.423 6.513 935 HB2 LEU 111 HB3 LEU 111 -10.040 -3.763 5.565 936 HB3 LEU 111 HB2 LEU 111 -11.136 -3.355 4.263 937 HG LEU 111 HG LEU 111 -9.622 -1.179 4.151 938 HD11 LEU 111 HD11 LEU 111 -7.290 -1.717 4.602 939 HD12 LEU 111 HD12 LEU 111 -7.779 -3.265 5.291 940 HD13 LEU 111 HD13 LEU 111 -8.259 -1.759 6.074 941 HD21 LEU 111 HD21 LEU 111 -10.017 -2.752 2.337 942 HD22 LEU 111 HD22 LEU 111 -8.838 -3.862 3.036 943 HD23 LEU 111 HD23 LEU 111 -8.320 -2.293 2.425 944 H ARG 112 H ARG 112 -13.424 -2.987 4.913 945 HA ARG 112 HA ARG 112 -14.120 -0.937 3.136 946 HB2 ARG 112 HB3 ARG 112 -15.862 -2.994 4.505 947 HB3 ARG 112 HB2 ARG 112 -16.417 -1.948 3.211 948 HG2 ARG 112 HG3 ARG 112 -14.890 -2.962 1.661 949 HG3 ARG 112 HG2 ARG 112 -14.156 -3.916 2.953 950 HD2 ARG 112 HD3 ARG 112 -16.278 -5.071 3.315 951 HD3 ARG 112 HD2 ARG 112 -17.030 -4.102 2.049 952 HE ARG 112 HE ARG 112 -15.241 -5.185 0.571 953 HH11 ARG 112 HH11 ARG 112 -16.824 -6.740 3.294 954 HH12 ARG 112 HH12 ARG 112 -16.602 -8.343 2.655 955 HH21 ARG 112 HH22 ARG 112 -14.963 -7.298 -0.270 956 HH22 ARG 112 HH21 ARG 112 -15.542 -8.660 0.629 957 H ASN 113 H ASN 113 -14.784 -1.357 6.535 958 HA ASN 113 HA ASN 113 -16.690 0.872 6.498 959 HB2 ASN 113 HB3 ASN 113 -16.068 -1.202 8.604 960 HB3 ASN 113 HB2 ASN 113 -17.140 0.161 8.880 961 HD21 ASN 113 HD22 ASN 113 -16.932 -1.675 5.890 962 HD22 ASN 113 HD21 ASN 113 -18.500 -2.391 6.002 963 H TRP 114 H TRP 114 -13.605 0.924 6.420 964 HA TRP 114 HA TRP 114 -12.785 2.116 8.863 965 HB2 TRP 114 HB3 TRP 114 -11.211 1.088 7.227 966 HB3 TRP 114 HB2 TRP 114 -11.526 2.427 6.129 967 HD1 TRP 114 HD1 TRP 114 -10.364 2.102 9.828 968 HE1 TRP 114 HE1 TRP 114 -8.480 3.815 10.217 969 HE3 TRP 114 HE3 TRP 114 -10.218 4.210 5.172 970 HZ2 TRP 114 HZ2 TRP 114 -7.109 5.786 8.736 971 HZ3 TRP 114 HZ3 TRP 114 -8.587 6.001 4.741 972 HH2 TRP 114 HH2 TRP 114 -7.066 6.771 6.487 973 H ASN 115 H ASN 115 -13.615 3.914 9.606 974 HA ASN 115 HA ASN 115 -14.856 5.838 7.831 975 HB2 ASN 115 HB3 ASN 115 -14.643 5.796 10.850 976 HB3 ASN 115 HB2 ASN 115 -15.642 6.897 9.911 977 HD21 ASN 115 HD22 ASN 115 -16.521 4.929 7.996 978 HD22 ASN 115 HD21 ASN 115 -17.627 3.887 8.837 979 H GLY 116 H GLY 116 -11.824 5.516 8.114 980 HA2 GLY 116 HA3 GLY 116 -10.009 6.947 8.056 981 HA3 GLY 116 HA2 GLY 116 -11.139 8.295 8.154 982 H THR 117 H THR 117 -10.455 5.582 10.319 983 HA THR 117 HA THR 117 -10.031 7.523 12.484 984 HB THR 117 HB THR 117 -12.058 6.649 13.126 985 HG1 THR 117 HG1 THR 117 -11.549 4.796 14.624 986 HG21 THR 117 HG21 THR 117 -11.230 3.963 12.024 987 HG22 THR 117 HG22 THR 117 -12.341 5.105 11.268 988 HG23 THR 117 HG23 THR 117 -12.778 4.325 12.788 989 H PHE 118 H PHE 118 -8.446 7.107 13.962 990 HA PHE 118 HA PHE 118 -6.331 5.353 13.065 991 HB2 PHE 118 HB3 PHE 118 -6.461 7.059 15.562 992 HB3 PHE 118 HB2 PHE 118 -5.018 6.330 14.866 993 HD1 PHE 118 HD2 PHE 118 -4.010 7.250 12.850 994 HD2 PHE 118 HD1 PHE 118 -7.428 9.051 14.633 995 HE1 PHE 118 HE2 PHE 118 -3.620 9.290 11.530 996 HE2 PHE 118 HE1 PHE 118 -7.046 11.092 13.317 997 HZ PHE 118 HZ PHE 118 -5.140 11.215 11.761 998 H GLY 119 H GLY 119 -8.906 5.294 15.337 999 HA2 GLY 119 HA3 GLY 119 -7.798 3.362 17.135 1000 HA3 GLY 119 HA2 GLY 119 -9.487 3.836 17.026 1001 H LEU 120 H LEU 120 -9.508 3.198 14.122 1002 HA LEU 120 HA LEU 120 -10.337 0.474 14.383 1003 HB2 LEU 120 HB3 LEU 120 -11.201 2.415 12.824 1004 HB3 LEU 120 HB2 LEU 120 -9.973 1.814 11.731 1005 HG LEU 120 HG LEU 120 -12.080 -0.014 12.862 1006 HD11 LEU 120 HD11 LEU 120 -12.269 1.678 10.374 1007 HD12 LEU 120 HD12 LEU 120 -13.262 1.829 11.822 1008 HD13 LEU 120 HD13 LEU 120 -13.381 0.384 10.821 1009 HD21 LEU 120 HD21 LEU 120 -10.408 -0.094 10.354 1010 HD22 LEU 120 HD22 LEU 120 -11.633 -1.277 10.808 1011 HD23 LEU 120 HD23 LEU 120 -10.183 -1.090 11.794 1012 H LEU 121 H LEU 121 -7.417 2.058 13.569 1013 HA LEU 121 HA LEU 121 -6.230 0.105 11.914 1014 HB2 LEU 121 HB3 LEU 121 -4.930 2.050 13.822 1015 HB3 LEU 121 HB2 LEU 121 -4.083 1.126 12.597 1016 HG LEU 121 HG LEU 121 -6.192 3.219 12.061 1017 HD11 LEU 121 HD11 LEU 121 -3.201 3.283 11.698 1018 HD12 LEU 121 HD12 LEU 121 -4.127 4.189 12.895 1019 HD13 LEU 121 HD13 LEU 121 -4.329 4.535 11.176 1020 HD21 LEU 121 HD21 LEU 121 -5.545 2.962 9.722 1021 HD22 LEU 121 HD22 LEU 121 -6.175 1.451 10.376 1022 HD23 LEU 121 HD23 LEU 121 -4.437 1.662 10.164 1023 H ASN 122 H ASN 122 -6.647 0.374 15.364 1024 HA ASN 122 HA ASN 122 -4.819 -1.711 16.063 1025 HB2 ASN 122 HB3 ASN 122 -7.073 -0.378 17.566 1026 HB3 ASN 122 HB2 ASN 122 -6.101 -1.669 18.262 1027 HD21 ASN 122 HD22 ASN 122 -3.646 -0.810 16.960 1028 HD22 ASN 122 HD21 ASN 122 -3.129 0.607 17.809 1029 H THR 123 H THR 123 -8.037 -1.613 14.868 1030 HA THR 123 HA THR 123 -8.577 -4.344 15.744 1031 HB THR 123 HB THR 123 -10.839 -4.021 14.879 1032 HG1 THR 123 HG1 THR 123 -9.680 -2.001 13.501 1033 HG21 THR 123 HG21 THR 123 -10.319 -3.244 17.155 1034 HG22 THR 123 HG22 THR 123 -11.581 -2.271 16.399 1035 HG23 THR 123 HG23 THR 123 -9.935 -1.647 16.509 1036 H LEU 124 H LEU 124 -6.894 -2.986 13.362 1037 HA LEU 124 HA LEU 124 -7.721 -4.900 11.300 1038 HB2 LEU 124 HB3 LEU 124 -6.040 -2.407 11.176 1039 HB3 LEU 124 HB2 LEU 124 -6.140 -3.549 9.850 1040 HG LEU 124 HG LEU 124 -8.510 -2.077 11.004 1041 HD11 LEU 124 HD11 LEU 124 -6.953 -1.555 8.478 1042 HD12 LEU 124 HD12 LEU 124 -6.948 -0.542 9.922 1043 HD13 LEU 124 HD13 LEU 124 -8.427 -0.729 8.980 1044 HD21 LEU 124 HD21 LEU 124 -8.192 -3.779 8.536 1045 HD22 LEU 124 HD22 LEU 124 -9.637 -2.866 8.973 1046 HD23 LEU 124 HD23 LEU 124 -9.099 -4.203 9.988 1047 H ARG 125 H ARG 125 -6.306 -6.435 10.514 1048 HA ARG 125 HA ARG 125 -4.062 -7.070 12.201 1049 HB2 ARG 125 HB3 ARG 125 -4.911 -8.425 9.635 1050 HB3 ARG 125 HB2 ARG 125 -3.802 -9.061 10.841 1051 HG2 ARG 125 HG3 ARG 125 -5.654 -9.086 12.474 1052 HG3 ARG 125 HG2 ARG 125 -6.748 -8.569 11.188 1053 HD2 ARG 125 HD3 ARG 125 -5.816 -10.637 9.923 1054 HD3 ARG 125 HD2 ARG 125 -5.314 -11.174 11.527 1055 HE ARG 125 HE ARG 125 -8.102 -10.385 11.136 1056 HH11 ARG 125 HH11 ARG 125 -5.751 -12.928 11.699 1057 HH12 ARG 125 HH12 ARG 125 -6.964 -14.131 12.021 1058 HH21 ARG 125 HH22 ARG 125 -9.672 -11.953 11.574 1059 HH22 ARG 125 HH21 ARG 125 -9.197 -13.582 11.954 1060 H LEU 126 H LEU 126 -3.051 -4.997 11.711 1061 HA LEU 126 HA LEU 126 -1.760 -4.726 9.142 1062 HB2 LEU 126 HB3 LEU 126 -1.586 -3.138 11.705 1063 HB3 LEU 126 HB2 LEU 126 -0.698 -2.733 10.247 1064 HG LEU 126 HG LEU 126 -3.688 -2.975 10.196 1065 HD11 LEU 126 HD11 LEU 126 -3.840 -0.572 10.578 1066 HD12 LEU 126 HD12 LEU 126 -2.107 -0.511 10.907 1067 HD13 LEU 126 HD13 LEU 126 -3.180 -1.409 11.982 1068 HD21 LEU 126 HD21 LEU 126 -1.691 -1.434 8.547 1069 HD22 LEU 126 HD22 LEU 126 -3.440 -1.409 8.323 1070 HD23 LEU 126 HD23 LEU 126 -2.539 -2.902 8.061 1071 H ILE 127 H ILE 127 -0.178 -6.048 8.711 1072 HA ILE 127 HA ILE 127 1.565 -6.968 10.895 1073 HB ILE 127 HB ILE 127 2.048 -8.901 9.346 1074 HG12 ILE 127 HG13 ILE 127 -0.300 -7.696 7.854 1075 HG13 ILE 127 HG12 ILE 127 1.342 -7.877 7.249 1076 HG21 ILE 127 HG21 ILE 127 0.545 -9.118 11.247 1077 HG22 ILE 127 HG22 ILE 127 -0.040 -10.075 9.885 1078 HG23 ILE 127 HG23 ILE 127 -0.801 -8.531 10.269 1079 HD11 ILE 127 HD11 ILE 127 -0.542 -10.122 7.927 1080 HD12 ILE 127 HD12 ILE 127 1.096 -10.297 7.299 1081 HD13 ILE 127 HD13 ILE 127 -0.151 -9.542 6.307 1082 H ARG 128 H ARG 128 3.750 -7.773 9.923 1083 HA ARG 128 HA ARG 128 4.844 -5.536 8.385 1084 HB2 ARG 128 HB3 ARG 128 6.376 -7.745 9.770 1085 HB3 ARG 128 HB2 ARG 128 7.010 -6.214 9.182 1086 HG2 ARG 128 HG3 ARG 128 5.515 -5.080 10.863 1087 HG3 ARG 128 HG2 ARG 128 5.203 -6.680 11.538 1088 HD2 ARG 128 HD3 ARG 128 6.949 -5.756 12.833 1089 HD3 ARG 128 HD2 ARG 128 7.711 -6.929 11.758 1090 HE ARG 128 HE ARG 128 7.703 -4.023 11.214 1091 HH11 ARG 128 HH11 ARG 128 9.386 -7.092 11.435 1092 HH12 ARG 128 HH12 ARG 128 10.859 -6.471 10.766 1093 HH21 ARG 128 HH22 ARG 128 9.650 -3.205 10.396 1094 HH22 ARG 128 HH21 ARG 128 11.009 -4.258 10.183 1095 H ILE 129 H ILE 129 5.076 -5.794 6.265 1096 HA ILE 129 HA ILE 129 5.331 -8.545 5.237 1097 HB ILE 129 HB ILE 129 4.040 -6.158 3.912 1098 HG12 ILE 129 HG13 ILE 129 2.875 -8.705 5.058 1099 HG13 ILE 129 HG12 ILE 129 2.690 -7.086 5.724 1100 HG21 ILE 129 HG21 ILE 129 4.363 -8.995 2.945 1101 HG22 ILE 129 HG22 ILE 129 5.088 -7.549 2.242 1102 HG23 ILE 129 HG23 ILE 129 3.338 -7.781 2.179 1103 HD11 ILE 129 HD11 ILE 129 1.622 -8.044 3.081 1104 HD12 ILE 129 HD12 ILE 129 1.438 -6.418 3.737 1105 HD13 ILE 129 HD13 ILE 129 0.689 -7.789 4.556 1106 H ASN 130 H ASN 130 7.049 -9.031 4.113 1107 HA ASN 130 HA ASN 130 8.958 -6.897 3.416 1108 HB2 ASN 130 HB3 ASN 130 9.742 -8.476 5.126 1109 HB3 ASN 130 HB2 ASN 130 9.395 -9.827 4.059 1110 HD21 ASN 130 HD22 ASN 130 11.423 -10.621 3.981 1111 HD22 ASN 130 HD21 ASN 130 12.761 -9.799 3.252 1112 H ASP 131 H ASP 131 10.349 -7.387 1.537 1113 HA ASP 131 HA ASP 131 10.756 -7.901 -0.617 1114 HB2 ASP 131 HB3 ASP 131 10.849 -10.200 0.305 1115 HB3 ASP 131 HB2 ASP 131 9.138 -10.397 -0.042 1116 H LYS 132 H LYS 132 7.820 -9.691 -1.008 1117 HA LYS 132 HA LYS 132 6.220 -7.424 -1.763 1118 HB2 LYS 132 HB3 LYS 132 7.241 -9.379 -3.819 1119 HB3 LYS 132 HB2 LYS 132 5.718 -8.532 -4.045 1120 HG2 LYS 132 HG3 LYS 132 6.866 -6.396 -3.961 1121 HG3 LYS 132 HG2 LYS 132 8.396 -7.218 -3.651 1122 HD2 LYS 132 HD3 LYS 132 8.193 -8.350 -5.834 1123 HD3 LYS 132 HD2 LYS 132 6.711 -7.441 -6.142 1124 HE2 LYS 132 HE3 LYS 132 7.926 -5.355 -6.045 1125 HE3 LYS 132 HE2 LYS 132 9.406 -6.201 -5.600 1126 HZ1 LYS 132 HZ1 LYS 132 9.204 -7.387 -7.781 1127 HZ2 LYS 132 HZ2 LYS 132 9.549 -5.729 -7.885 1128 HZ3 LYS 132 HZ3 LYS 132 7.982 -6.288 -8.195 1129 H GLY 133 H GLY 133 4.940 -8.228 -0.058 1130 HA2 GLY 133 HA3 GLY 133 2.908 -9.251 0.471 1131 HA3 GLY 133 HA2 GLY 133 3.094 -10.292 -0.933 1132 H GLU 134 H GLU 134 5.761 -10.019 1.235 1133 HA GLU 134 HA GLU 134 5.321 -12.791 2.098 1134 HB2 GLU 134 HB3 GLU 134 7.432 -12.377 0.960 1135 HB3 GLU 134 HB2 GLU 134 7.806 -11.065 2.065 1136 HG2 GLU 134 HG3 GLU 134 7.876 -12.705 3.916 1137 HG3 GLU 134 HG2 GLU 134 7.625 -13.991 2.736 1138 H GLN 135 H GLN 135 4.220 -12.850 3.988 1139 HA GLN 135 HA GLN 135 4.289 -10.737 5.890 1140 HB2 GLN 135 HB3 GLN 135 2.362 -12.263 5.646 1141 HB3 GLN 135 HB2 GLN 135 3.343 -13.585 6.266 1142 HG2 GLN 135 HG3 GLN 135 3.577 -12.449 8.391 1143 HG3 GLN 135 HG2 GLN 135 2.666 -11.071 7.779 1144 HE21 GLN 135 HE22 GLN 135 2.093 -12.718 10.061 1145 HE22 GLN 135 HE21 GLN 135 0.535 -13.425 9.792 1146 H VAL 136 H VAL 136 5.732 -10.304 7.387 1147 HA VAL 136 HA VAL 136 7.813 -12.258 7.995 1148 HB VAL 136 HB VAL 136 7.625 -9.433 9.038 1149 HG11 VAL 136 HG11 VAL 136 9.212 -10.846 10.195 1150 HG12 VAL 136 HG12 VAL 136 10.071 -9.654 9.220 1151 HG13 VAL 136 HG13 VAL 136 9.942 -11.323 8.663 1152 HG21 VAL 136 HG21 VAL 136 8.900 -10.371 6.472 1153 HG22 VAL 136 HG22 VAL 136 9.082 -8.764 7.174 1154 HG23 VAL 136 HG23 VAL 136 7.498 -9.310 6.621 1155 H VAL 137 H VAL 137 6.852 -13.714 9.353 1156 HA VAL 137 HA VAL 137 5.228 -12.844 11.563 1157 HB VAL 137 HB VAL 137 5.121 -15.262 12.142 1158 HG11 VAL 137 HG11 VAL 137 3.813 -15.927 10.183 1159 HG12 VAL 137 HG12 VAL 137 4.511 -14.594 9.262 1160 HG13 VAL 137 HG13 VAL 137 3.474 -14.260 10.648 1161 HG21 VAL 137 HG21 VAL 137 7.319 -15.945 11.332 1162 HG22 VAL 137 HG22 VAL 137 6.829 -15.599 9.674 1163 HG23 VAL 137 HG23 VAL 137 6.049 -16.903 10.570 1164 H GLY 138 H GLY 138 5.727 -12.836 13.701 1165 HA2 GLY 138 HA3 GLY 138 7.114 -13.678 15.527 1166 HA3 GLY 138 HA2 GLY 138 8.492 -13.585 14.439 1167 H GLY 139 H GLY 139 7.585 -10.991 13.364 1168 HA2 GLY 139 HA3 GLY 139 7.302 -8.752 14.294 1169 HA3 GLY 139 HA2 GLY 139 8.197 -9.299 15.707 1170 H ASN 140 H ASN 140 10.234 -10.692 14.366 1171 HA ASN 140 HA ASN 140 12.233 -10.484 13.341 1172 HB2 ASN 140 HB3 ASN 140 10.923 -9.823 11.349 1173 HB3 ASN 140 HB2 ASN 140 11.008 -8.144 11.867 1174 HD21 ASN 140 HD22 ASN 140 13.626 -10.463 12.154 1175 HD22 ASN 140 HD21 ASN 140 14.670 -9.700 11.003 1176 H GLU 141 H GLU 141 12.941 -9.923 15.485 1177 HA GLU 141 HA GLU 141 14.307 -7.336 15.450 1178 HB2 GLU 141 HB3 GLU 141 12.721 -8.417 17.788 1179 HB3 GLU 141 HB2 GLU 141 13.883 -7.108 17.923 1180 HG2 GLU 141 HG3 GLU 141 12.539 -5.776 16.360 1181 HG3 GLU 141 HG2 GLU 141 11.360 -7.085 16.284 Start of MODEL 7 1 H MET 1 H MET 1 15.074 28.889 20.100 2 HA MET 1 HA MET 1 16.927 29.709 22.261 3 HB2 MET 1 HB3 MET 1 16.510 30.784 19.461 4 HB3 MET 1 HB2 MET 1 17.556 31.508 20.676 5 HG2 MET 1 HG3 MET 1 17.880 28.780 19.448 6 HG3 MET 1 HG2 MET 1 18.842 30.211 19.088 7 HE1 MET 1 HE1 MET 1 20.767 30.799 22.422 8 HE2 MET 1 HE2 MET 1 19.246 31.532 21.910 9 HE3 MET 1 HE3 MET 1 20.555 31.309 20.747 10 H ARG 2 H ARG 2 14.546 31.135 20.013 11 HA ARG 2 HA ARG 2 13.347 32.515 22.326 12 HB2 ARG 2 HB3 ARG 2 13.317 33.243 19.387 13 HB3 ARG 2 HB2 ARG 2 12.410 34.092 20.630 14 HG2 ARG 2 HG3 ARG 2 14.473 34.761 21.716 15 HG3 ARG 2 HG2 ARG 2 15.410 33.852 20.525 16 HD2 ARG 2 HD3 ARG 2 14.497 35.269 18.744 17 HD3 ARG 2 HD2 ARG 2 13.593 36.187 19.945 18 HE ARG 2 HE ARG 2 16.427 36.117 20.437 19 HH11 ARG 2 HH11 ARG 2 13.820 37.739 18.780 20 HH12 ARG 2 HH12 ARG 2 14.689 39.228 18.564 21 HH21 ARG 2 HH22 ARG 2 17.594 38.075 20.179 22 HH22 ARG 2 HH21 ARG 2 16.842 39.426 19.381 23 H GLU 3 H GLU 3 10.894 33.155 21.323 24 HA GLU 3 HA GLU 3 9.476 30.697 21.233 25 HB2 GLU 3 HB3 GLU 3 8.451 32.784 22.046 26 HB3 GLU 3 HB2 GLU 3 8.574 33.474 20.434 27 HG2 GLU 3 HG3 GLU 3 7.053 31.754 19.589 28 HG3 GLU 3 HG2 GLU 3 6.912 31.091 21.218 29 H ASP 4 H ASP 4 10.106 33.180 18.775 30 HA ASP 4 HA ASP 4 10.147 33.135 16.503 31 HB2 ASP 4 HB3 ASP 4 11.364 30.453 17.157 32 HB3 ASP 4 HB2 ASP 4 11.252 31.057 15.509 33 H LYS 5 H LYS 5 7.664 32.851 17.216 34 HA LYS 5 HA LYS 5 6.504 30.437 16.107 35 HB2 LYS 5 HB3 LYS 5 5.623 31.637 18.154 36 HB3 LYS 5 HB2 LYS 5 5.079 32.916 17.080 37 HG2 LYS 5 HG3 LYS 5 3.578 31.408 15.961 38 HG3 LYS 5 HG2 LYS 5 4.201 30.044 16.896 39 HD2 LYS 5 HD3 LYS 5 3.399 31.093 18.956 40 HD3 LYS 5 HD2 LYS 5 2.778 32.454 18.022 41 HE2 LYS 5 HE3 LYS 5 1.254 30.955 16.844 42 HE3 LYS 5 HE2 LYS 5 1.885 29.586 17.761 43 HZ1 LYS 5 HZ1 LYS 5 0.549 31.951 18.962 44 HZ2 LYS 5 HZ2 LYS 5 1.055 30.555 19.781 45 HZ3 LYS 5 HZ3 LYS 5 -0.215 30.467 18.659 46 H ILE 6 H ILE 6 6.703 30.346 13.964 47 HA ILE 6 HA ILE 6 6.813 32.647 12.300 48 HB ILE 6 HB ILE 6 6.874 31.047 10.421 49 HG12 ILE 6 HG13 ILE 6 6.596 28.945 12.582 50 HG13 ILE 6 HG12 ILE 6 5.353 29.360 11.408 51 HG21 ILE 6 HG21 ILE 6 8.999 29.992 11.037 52 HG22 ILE 6 HG22 ILE 6 8.689 30.371 12.732 53 HG23 ILE 6 HG23 ILE 6 8.923 31.672 11.565 54 HD11 ILE 6 HD11 ILE 6 6.526 27.327 10.784 55 HD12 ILE 6 HD12 ILE 6 8.056 28.202 10.773 56 HD13 ILE 6 HD13 ILE 6 6.801 28.606 9.600 57 H ALA 7 H ALA 7 5.479 32.757 10.263 58 HA ALA 7 HA ALA 7 2.694 32.903 10.991 59 HB1 ALA 7 HB1 ALA 7 2.397 33.946 8.806 60 HB2 ALA 7 HB2 ALA 7 4.056 33.532 8.374 61 HB3 ALA 7 HB3 ALA 7 3.744 34.679 9.678 62 H ALA 8 H ALA 8 0.980 31.902 9.875 63 HA ALA 8 HA ALA 8 1.259 29.161 9.436 64 HB1 ALA 8 HB1 ALA 8 -0.953 30.970 8.473 65 HB2 ALA 8 HB2 ALA 8 -0.852 30.225 10.069 66 HB3 ALA 8 HB3 ALA 8 -1.040 29.216 8.636 67 H LYS 9 H LYS 9 1.478 27.900 7.672 68 HA LYS 9 HA LYS 9 2.595 29.182 5.316 69 HB2 LYS 9 HB3 LYS 9 3.588 27.178 6.596 70 HB3 LYS 9 HB2 LYS 9 2.335 26.225 5.819 71 HG2 LYS 9 HG3 LYS 9 3.220 26.804 3.633 72 HG3 LYS 9 HG2 LYS 9 4.451 27.822 4.391 73 HD2 LYS 9 HD3 LYS 9 5.175 25.739 5.655 74 HD3 LYS 9 HD2 LYS 9 4.154 24.832 4.538 75 HE2 LYS 9 HE3 LYS 9 6.484 24.851 3.808 76 HE3 LYS 9 HE2 LYS 9 5.441 25.682 2.654 77 HZ1 LYS 9 HZ1 LYS 9 6.865 27.182 4.763 78 HZ2 LYS 9 HZ2 LYS 9 6.256 27.743 3.284 79 HZ3 LYS 9 HZ3 LYS 9 7.649 26.777 3.318 80 H LYS 10 H LYS 10 1.769 28.973 3.236 81 HA LYS 10 HA LYS 10 -1.015 28.660 2.936 82 HB2 LYS 10 HB3 LYS 10 1.220 28.698 0.915 83 HB3 LYS 10 HB2 LYS 10 -0.473 28.575 0.455 84 HG2 LYS 10 HG3 LYS 10 -0.900 30.709 1.633 85 HG3 LYS 10 HG2 LYS 10 0.832 30.841 1.944 86 HD2 LYS 10 HD3 LYS 10 0.166 32.155 -0.011 87 HD3 LYS 10 HD2 LYS 10 1.276 30.856 -0.453 88 HE2 LYS 10 HE3 LYS 10 -0.553 31.044 -2.061 89 HE3 LYS 10 HE2 LYS 10 -0.601 29.498 -1.214 90 HZ1 LYS 10 HZ1 LYS 10 -2.791 30.602 -1.470 91 HZ2 LYS 10 HZ2 LYS 10 -2.252 31.850 -0.452 92 HZ3 LYS 10 HZ3 LYS 10 -2.386 30.265 0.142 93 H LYS 11 H LYS 11 1.660 26.443 2.375 94 HA LYS 11 HA LYS 11 -0.007 24.380 1.310 95 HB2 LYS 11 HB3 LYS 11 2.787 24.169 2.457 96 HB3 LYS 11 HB2 LYS 11 1.977 22.962 1.465 97 HG2 LYS 11 HG3 LYS 11 1.840 24.708 -0.345 98 HG3 LYS 11 HG2 LYS 11 2.911 25.698 0.643 99 HD2 LYS 11 HD3 LYS 11 4.213 24.514 -1.002 100 HD3 LYS 11 HD2 LYS 11 4.575 23.866 0.599 101 HE2 LYS 11 HE3 LYS 11 3.263 21.932 0.211 102 HE3 LYS 11 HE2 LYS 11 2.550 22.623 -1.246 103 HZ1 LYS 11 HZ1 LYS 11 4.299 20.956 -1.686 104 HZ2 LYS 11 HZ2 LYS 11 5.434 21.978 -0.948 105 HZ3 LYS 11 HZ3 LYS 11 4.634 22.473 -2.362 106 H LEU 12 H LEU 12 -1.416 23.295 2.458 107 HA LEU 12 HA LEU 12 -1.609 23.499 5.264 108 HB2 LEU 12 HB3 LEU 12 -2.957 21.574 3.372 109 HB3 LEU 12 HB2 LEU 12 -3.420 21.833 5.042 110 HG LEU 12 HG LEU 12 -3.548 23.900 2.844 111 HD11 LEU 12 HD11 LEU 12 -5.967 23.666 3.072 112 HD12 LEU 12 HD12 LEU 12 -5.734 22.375 4.250 113 HD13 LEU 12 HD13 LEU 12 -5.216 22.149 2.579 114 HD21 LEU 12 HD21 LEU 12 -4.468 24.035 5.715 115 HD22 LEU 12 HD22 LEU 12 -4.727 25.271 4.485 116 HD23 LEU 12 HD23 LEU 12 -3.092 24.897 5.030 117 H HIS 13 H HIS 13 -1.445 21.865 6.855 118 HA HIS 13 HA HIS 13 0.926 20.291 6.464 119 HB2 HIS 13 HB3 HIS 13 0.659 21.456 8.568 120 HB3 HIS 13 HB2 HIS 13 -0.867 20.637 8.875 121 HD1 HIS 13 HD1 HIS 13 -0.699 18.688 10.389 122 HD2 HIS 13 HD2 HIS 13 2.892 19.435 8.426 123 HE1 HIS 13 HE1 HIS 13 0.943 17.028 11.321 124 HE2 HIS 13 HE2 HIS 13 3.013 17.321 9.915 125 H GLN 14 H GLN 14 0.065 18.851 4.825 126 HA GLN 14 HA GLN 14 -1.580 16.689 5.838 127 HB2 GLN 14 HB3 GLN 14 -0.008 16.946 3.259 128 HB3 GLN 14 HB2 GLN 14 -1.055 15.592 3.664 129 HG2 GLN 14 HG3 GLN 14 -2.960 17.147 3.808 130 HG3 GLN 14 HG2 GLN 14 -1.898 18.458 3.304 131 HE21 GLN 14 HE22 GLN 14 -4.300 17.408 2.052 132 HE22 GLN 14 HE21 GLN 14 -3.835 16.935 0.447 133 H ASP 15 H ASP 15 -0.663 15.551 7.405 134 HA ASP 15 HA ASP 15 2.013 15.764 8.094 135 HB2 ASP 15 HB3 ASP 15 0.090 15.104 9.598 136 HB3 ASP 15 HB2 ASP 15 0.240 13.477 8.936 137 H LYS 16 H LYS 16 3.766 14.520 7.920 138 HA LYS 16 HA LYS 16 4.277 13.046 5.642 139 HB2 LYS 16 HB3 LYS 16 6.049 13.995 6.966 140 HB3 LYS 16 HB2 LYS 16 5.604 13.016 8.353 141 HG2 LYS 16 HG3 LYS 16 6.217 10.994 7.008 142 HG3 LYS 16 HG2 LYS 16 6.859 12.092 5.783 143 HD2 LYS 16 HD3 LYS 16 8.427 13.013 7.371 144 HD3 LYS 16 HD2 LYS 16 7.726 12.047 8.670 145 HE2 LYS 16 HE3 LYS 16 8.394 10.001 7.444 146 HE3 LYS 16 HE2 LYS 16 9.188 11.018 6.242 147 HZ1 LYS 16 HZ1 LYS 16 10.645 11.872 7.954 148 HZ2 LYS 16 HZ2 LYS 16 10.748 10.178 7.898 149 HZ3 LYS 16 HZ3 LYS 16 9.863 10.936 9.133 150 H ARG 17 H ARG 17 3.003 11.984 8.743 151 HA ARG 17 HA ARG 17 3.529 9.206 8.201 152 HB2 ARG 17 HB3 ARG 17 3.536 10.208 10.498 153 HB3 ARG 17 HB2 ARG 17 1.788 10.361 10.377 154 HG2 ARG 17 HG3 ARG 17 1.602 7.937 10.095 155 HG3 ARG 17 HG2 ARG 17 3.353 7.795 10.246 156 HD2 ARG 17 HD3 ARG 17 3.279 8.602 12.500 157 HD3 ARG 17 HD2 ARG 17 1.557 8.965 12.358 158 HE ARG 17 HE ARG 17 2.156 6.216 11.826 159 HH11 ARG 17 HH11 ARG 17 1.717 8.525 14.417 160 HH12 ARG 17 HH12 ARG 17 1.059 7.353 15.522 161 HH21 ARG 17 HH22 ARG 17 1.289 4.677 13.237 162 HH22 ARG 17 HH21 ARG 17 0.846 5.145 14.863 163 H VAL 18 H VAL 18 1.282 11.245 6.904 164 HA VAL 18 HA VAL 18 -1.035 9.612 6.882 165 HB VAL 18 HB VAL 18 -0.836 12.014 5.989 166 HG11 VAL 18 HG11 VAL 18 0.092 10.555 3.519 167 HG12 VAL 18 HG12 VAL 18 1.051 11.677 4.488 168 HG13 VAL 18 HG13 VAL 18 -0.362 12.259 3.603 169 HG21 VAL 18 HG21 VAL 18 -2.286 9.944 4.345 170 HG22 VAL 18 HG22 VAL 18 -2.628 11.675 4.344 171 HG23 VAL 18 HG23 VAL 18 -2.880 10.728 5.809 172 H HIS 19 H HIS 19 2.037 9.413 5.433 173 HA HIS 19 HA HIS 19 1.651 7.690 3.279 174 HB2 HIS 19 HB3 HIS 19 3.762 8.805 3.702 175 HB3 HIS 19 HB2 HIS 19 3.949 7.955 5.230 176 HD1 HIS 19 HD1 HIS 19 4.949 5.626 5.169 177 HD2 HIS 19 HD2 HIS 19 4.270 7.231 1.394 178 HE1 HIS 19 HE1 HIS 19 6.106 4.089 3.561 179 HE2 HIS 19 HE2 HIS 19 5.872 5.203 1.312 180 H GLU 20 H GLU 20 1.627 7.090 6.711 181 HA GLU 20 HA GLU 20 2.087 4.280 6.590 182 HB2 GLU 20 HB3 GLU 20 2.458 5.827 8.569 183 HB3 GLU 20 HB2 GLU 20 0.718 5.817 8.799 184 HG2 GLU 20 HG3 GLU 20 0.720 3.485 9.282 185 HG3 GLU 20 HG2 GLU 20 2.415 3.336 8.813 186 H LEU 21 H LEU 21 -0.840 6.265 7.030 187 HA LEU 21 HA LEU 21 -2.553 3.945 6.933 188 HB2 LEU 21 HB3 LEU 21 -3.273 6.884 6.904 189 HB3 LEU 21 HB2 LEU 21 -4.419 5.563 7.051 190 HG LEU 21 HG LEU 21 -3.242 4.937 9.210 191 HD11 LEU 21 HD11 LEU 21 -1.158 6.155 8.870 192 HD12 LEU 21 HD12 LEU 21 -1.975 6.691 10.339 193 HD13 LEU 21 HD13 LEU 21 -2.041 7.681 8.882 194 HD21 LEU 21 HD21 LEU 21 -4.410 6.663 10.496 195 HD22 LEU 21 HD22 LEU 21 -5.396 6.056 9.166 196 HD23 LEU 21 HD23 LEU 21 -4.599 7.622 9.028 197 H ALA 22 H ALA 22 -1.032 5.880 4.659 198 HA ALA 22 HA ALA 22 -2.906 6.196 2.623 199 HB1 ALA 22 HB1 ALA 22 -0.705 7.268 2.621 200 HB2 ALA 22 HB2 ALA 22 -1.021 6.414 1.110 201 HB3 ALA 22 HB3 ALA 22 0.052 5.703 2.316 202 H ARG 23 H ARG 23 -0.852 3.430 3.408 203 HA ARG 23 HA ARG 23 -1.391 1.868 1.129 204 HB2 ARG 23 HB3 ARG 23 -0.529 1.233 3.930 205 HB3 ARG 23 HB2 ARG 23 -0.984 -0.074 2.852 206 HG2 ARG 23 HG3 ARG 23 1.393 0.178 2.823 207 HG3 ARG 23 HG2 ARG 23 0.751 0.683 1.263 208 HD2 ARG 23 HD3 ARG 23 1.216 2.916 1.651 209 HD3 ARG 23 HD2 ARG 23 1.226 2.716 3.403 210 HE ARG 23 HE ARG 23 3.400 1.694 3.217 211 HH11 ARG 23 HH11 ARG 23 2.260 3.229 0.283 212 HH12 ARG 23 HH12 ARG 23 3.854 3.452 -0.363 213 HH21 ARG 23 HH22 ARG 23 5.495 2.005 2.378 214 HH22 ARG 23 HH21 ARG 23 5.686 2.785 0.823 215 H VAL 24 H VAL 24 -3.020 2.118 4.251 216 HA VAL 24 HA VAL 24 -4.920 0.072 3.758 217 HB VAL 24 HB VAL 24 -5.063 2.372 5.717 218 HG11 VAL 24 HG11 VAL 24 -7.254 1.382 5.338 219 HG12 VAL 24 HG12 VAL 24 -6.654 0.964 6.944 220 HG13 VAL 24 HG13 VAL 24 -6.597 -0.226 5.644 221 HG21 VAL 24 HG21 VAL 24 -4.245 0.746 7.360 222 HG22 VAL 24 HG22 VAL 24 -3.082 0.997 6.059 223 HG23 VAL 24 HG23 VAL 24 -4.079 -0.458 6.081 224 H LYS 25 H LYS 25 -5.006 3.613 3.411 225 HA LYS 25 HA LYS 25 -7.749 3.755 2.764 226 HB2 LYS 25 HB3 LYS 25 -6.396 5.722 3.455 227 HB3 LYS 25 HB2 LYS 25 -5.584 5.676 1.894 228 HG2 LYS 25 HG3 LYS 25 -7.656 6.107 0.747 229 HG3 LYS 25 HG2 LYS 25 -8.551 6.014 2.263 230 HD2 LYS 25 HD3 LYS 25 -7.305 7.974 3.087 231 HD3 LYS 25 HD2 LYS 25 -6.482 8.082 1.528 232 HE2 LYS 25 HE3 LYS 25 -9.467 8.252 1.931 233 HE3 LYS 25 HE2 LYS 25 -8.397 9.636 1.717 234 HZ1 LYS 25 HZ1 LYS 25 -9.469 9.037 -0.352 235 HZ2 LYS 25 HZ2 LYS 25 -8.851 7.459 -0.269 236 HZ3 LYS 25 HZ3 LYS 25 -7.801 8.782 -0.471 237 H PHE 26 H PHE 26 -4.857 3.359 0.754 238 HA PHE 26 HA PHE 26 -6.069 3.517 -1.749 239 HB2 PHE 26 HB3 PHE 26 -3.667 3.368 -1.621 240 HB3 PHE 26 HB2 PHE 26 -3.754 1.794 -0.833 241 HD1 PHE 26 HD2 PHE 26 -4.533 3.553 -4.011 242 HD2 PHE 26 HD1 PHE 26 -3.766 -0.168 -2.094 243 HE1 PHE 26 HE2 PHE 26 -4.461 2.441 -6.206 244 HE2 PHE 26 HE1 PHE 26 -3.700 -1.287 -4.281 245 HZ PHE 26 HZ PHE 26 -4.056 0.011 -6.342 246 H MET 27 H MET 27 -5.632 0.697 0.361 247 HA MET 27 HA MET 27 -6.997 -1.172 -1.225 248 HB2 MET 27 HB3 MET 27 -6.672 -1.011 1.771 249 HB3 MET 27 HB2 MET 27 -7.341 -2.402 0.930 250 HG2 MET 27 HG3 MET 27 -5.246 -2.720 -0.256 251 HG3 MET 27 HG2 MET 27 -4.574 -1.290 0.525 252 HE1 MET 27 HE1 MET 27 -2.473 -2.820 1.230 253 HE2 MET 27 HE2 MET 27 -3.237 -4.226 0.488 254 HE3 MET 27 HE3 MET 27 -2.635 -4.320 2.145 255 H GLN 28 H GLN 28 -8.178 1.038 1.285 256 HA GLN 28 HA GLN 28 -10.826 0.150 1.386 257 HB2 GLN 28 HB3 GLN 28 -9.786 1.770 2.985 258 HB3 GLN 28 HB2 GLN 28 -9.894 3.005 1.734 259 HG2 GLN 28 HG3 GLN 28 -12.447 2.014 1.830 260 HG3 GLN 28 HG2 GLN 28 -11.942 1.957 3.517 261 HE21 GLN 28 HE22 GLN 28 -13.935 3.609 2.212 262 HE22 GLN 28 HE21 GLN 28 -13.493 5.246 2.542 263 H ASP 29 H ASP 29 -9.443 2.837 -0.502 264 HA ASP 29 HA ASP 29 -11.834 3.555 -1.784 265 HB2 ASP 29 HB3 ASP 29 -8.942 4.069 -2.323 266 HB3 ASP 29 HB2 ASP 29 -10.112 4.460 -3.578 267 H VAL 30 H VAL 30 -9.329 1.248 -2.701 268 HA VAL 30 HA VAL 30 -10.314 0.787 -5.316 269 HB VAL 30 HB VAL 30 -8.472 -0.834 -3.562 270 HG11 VAL 30 HG11 VAL 30 -9.613 -2.356 -5.095 271 HG12 VAL 30 HG12 VAL 30 -7.919 -2.155 -5.544 272 HG13 VAL 30 HG13 VAL 30 -9.179 -1.320 -6.455 273 HG21 VAL 30 HG21 VAL 30 -6.772 -0.030 -5.145 274 HG22 VAL 30 HG22 VAL 30 -7.593 1.296 -4.322 275 HG23 VAL 30 HG23 VAL 30 -8.012 0.897 -5.988 276 H VAL 31 H VAL 31 -10.883 -0.896 -2.227 277 HA VAL 31 HA VAL 31 -12.402 -2.982 -3.495 278 HB VAL 31 HB VAL 31 -12.946 -3.767 -1.244 279 HG11 VAL 31 HG11 VAL 31 -10.847 -4.444 -2.243 280 HG12 VAL 31 HG12 VAL 31 -10.665 -4.260 -0.498 281 HG13 VAL 31 HG13 VAL 31 -10.049 -3.016 -1.587 282 HG21 VAL 31 HG21 VAL 31 -13.204 -1.627 -0.111 283 HG22 VAL 31 HG22 VAL 31 -11.476 -1.315 -0.278 284 HG23 VAL 31 HG23 VAL 31 -12.038 -2.644 0.736 285 H ASN 32 H ASN 32 -13.147 0.157 -2.287 286 HA ASN 32 HA ASN 32 -15.980 -0.455 -2.040 287 HB2 ASN 32 HB3 ASN 32 -14.310 1.956 -1.434 288 HB3 ASN 32 HB2 ASN 32 -16.049 2.135 -1.639 289 HD21 ASN 32 HD22 ASN 32 -13.508 0.883 0.346 290 HD22 ASN 32 HD21 ASN 32 -14.502 0.476 1.710 291 H SER 33 H SER 33 -13.794 0.775 -4.381 292 HA SER 33 HA SER 33 -15.969 1.889 -5.979 293 HB2 SER 33 HB3 SER 33 -14.155 2.640 -7.506 294 HB3 SER 33 HB2 SER 33 -13.943 3.240 -5.861 295 HG SER 33 HG SER 33 -12.275 1.904 -5.556 296 H ASP 34 H ASP 34 -15.846 1.314 -8.388 297 HA ASP 34 HA ASP 34 -16.223 -1.520 -8.564 298 HB2 ASP 34 HB3 ASP 34 -17.051 -1.123 -10.753 299 HB3 ASP 34 HB2 ASP 34 -17.548 0.276 -9.805 300 H THR 35 H THR 35 -13.449 0.179 -8.531 301 HA THR 35 HA THR 35 -11.983 -0.745 -10.727 302 HB THR 35 HB THR 35 -10.970 -0.120 -7.943 303 HG1 THR 35 HG1 THR 35 -11.871 1.446 -10.068 304 HG21 THR 35 HG21 THR 35 -9.534 -0.062 -10.606 305 HG22 THR 35 HG22 THR 35 -9.313 -1.286 -9.354 306 HG23 THR 35 HG23 THR 35 -8.849 0.387 -9.044 307 H PHE 36 H PHE 36 -12.324 -2.132 -7.444 308 HA PHE 36 HA PHE 36 -11.817 -4.759 -8.623 309 HB2 PHE 36 HB3 PHE 36 -10.188 -3.508 -6.446 310 HB3 PHE 36 HB2 PHE 36 -10.450 -5.248 -6.437 311 HD1 PHE 36 HD2 PHE 36 -9.642 -6.626 -8.329 312 HD2 PHE 36 HD1 PHE 36 -8.678 -2.497 -7.971 313 HE1 PHE 36 HE2 PHE 36 -7.799 -6.921 -9.931 314 HE2 PHE 36 HE1 PHE 36 -6.832 -2.785 -9.573 315 HZ PHE 36 HZ PHE 36 -6.390 -4.999 -10.554 316 H LYS 37 H LYS 37 -14.123 -3.203 -7.409 317 HA LYS 37 HA LYS 37 -14.877 -4.372 -4.969 318 HB2 LYS 37 HB3 LYS 37 -15.992 -2.410 -5.972 319 HB3 LYS 37 HB2 LYS 37 -16.660 -3.441 -7.229 320 HG2 LYS 37 HG3 LYS 37 -17.940 -4.671 -5.558 321 HG3 LYS 37 HG2 LYS 37 -17.250 -3.665 -4.282 322 HD2 LYS 37 HD3 LYS 37 -19.490 -2.907 -4.907 323 HD3 LYS 37 HD2 LYS 37 -18.270 -1.685 -5.274 324 HE2 LYS 37 HE3 LYS 37 -18.250 -2.479 -7.619 325 HE3 LYS 37 HE2 LYS 37 -19.557 -3.595 -7.221 326 HZ1 LYS 37 HZ1 LYS 37 -19.707 -0.641 -6.956 327 HZ2 LYS 37 HZ2 LYS 37 -20.970 -1.738 -6.685 328 HZ3 LYS 37 HZ3 LYS 37 -20.348 -1.534 -8.250 329 H GLY 38 H GLY 38 -14.827 -5.626 -8.182 330 HA2 GLY 38 HA3 GLY 38 -16.696 -7.693 -8.041 331 HA3 GLY 38 HA2 GLY 38 -15.234 -7.721 -9.018 332 H GLN 39 H GLN 39 -13.389 -7.521 -6.849 333 HA GLN 39 HA GLN 39 -13.813 -10.107 -5.506 334 HB2 GLN 39 HB3 GLN 39 -11.265 -8.836 -6.514 335 HB3 GLN 39 HB2 GLN 39 -11.263 -10.148 -5.348 336 HG2 GLN 39 HG3 GLN 39 -10.869 -11.108 -7.464 337 HG3 GLN 39 HG2 GLN 39 -12.522 -11.519 -7.022 338 HE21 GLN 39 HE22 GLN 39 -13.104 -11.895 -9.154 339 HE22 GLN 39 HE21 GLN 39 -13.319 -10.604 -10.293 340 HA PRO 40 HA PRO 40 -13.873 -6.982 -2.176 341 HB2 PRO 40 HB2 PRO 40 -15.156 -9.146 -0.662 342 HB3 PRO 40 HB3 PRO 40 -15.763 -7.532 -1.037 343 HG2 PRO 40 HG3 PRO 40 -16.788 -9.739 -2.184 344 HG3 PRO 40 HG2 PRO 40 -16.675 -8.195 -3.046 345 HD2 PRO 40 HD3 PRO 40 -14.906 -10.606 -3.238 346 HD3 PRO 40 HD2 PRO 40 -15.521 -9.555 -4.532 347 H ILE 41 H ILE 41 -12.690 -10.222 -2.263 348 HA ILE 41 HA ILE 41 -10.922 -9.655 0.025 349 HB ILE 41 HB ILE 41 -11.667 -12.432 -0.898 350 HG12 ILE 41 HG13 ILE 41 -13.735 -11.356 -0.157 351 HG13 ILE 41 HG12 ILE 41 -13.212 -12.556 1.020 352 HG21 ILE 41 HG21 ILE 41 -10.512 -11.423 1.696 353 HG22 ILE 41 HG22 ILE 41 -9.591 -12.163 0.387 354 HG23 ILE 41 HG23 ILE 41 -10.800 -13.109 1.262 355 HD11 ILE 41 HD11 ILE 41 -12.328 -10.786 2.439 356 HD12 ILE 41 HD12 ILE 41 -14.043 -10.548 2.102 357 HD13 ILE 41 HD13 ILE 41 -12.834 -9.580 1.256 358 H PHE 42 H PHE 42 -8.733 -10.488 -0.197 359 HA PHE 42 HA PHE 42 -7.977 -11.041 -2.982 360 HB2 PHE 42 HB3 PHE 42 -6.706 -9.038 -1.114 361 HB3 PHE 42 HB2 PHE 42 -5.953 -9.587 -2.604 362 HD1 PHE 42 HD2 PHE 42 -7.353 -9.295 -4.767 363 HD2 PHE 42 HD1 PHE 42 -8.081 -7.189 -1.143 364 HE1 PHE 42 HE2 PHE 42 -8.564 -7.560 -6.023 365 HE2 PHE 42 HE1 PHE 42 -9.293 -5.453 -2.391 366 HZ PHE 42 HZ PHE 42 -9.535 -5.636 -4.835 367 H ASP 43 H ASP 43 -5.256 -11.222 -2.594 368 HA ASP 43 HA ASP 43 -4.917 -13.349 -0.596 369 HB2 ASP 43 HB3 ASP 43 -5.195 -14.360 -2.836 370 HB3 ASP 43 HB2 ASP 43 -3.897 -13.348 -3.456 371 H HIS 44 H HIS 44 -2.492 -13.711 -0.186 372 HA HIS 44 HA HIS 44 -1.203 -11.300 0.460 373 HB2 HIS 44 HB3 HIS 44 -0.264 -14.147 0.284 374 HB3 HIS 44 HB2 HIS 44 0.880 -12.852 0.612 375 HD1 HIS 44 HD1 HIS 44 1.399 -13.121 3.030 376 HD2 HIS 44 HD2 HIS 44 -2.688 -13.328 2.275 377 HE1 HIS 44 HE1 HIS 44 0.292 -13.217 5.289 378 HE2 HIS 44 HE2 HIS 44 -2.187 -13.227 4.817 379 H ALA 45 H ALA 45 -1.164 -13.220 -2.462 380 HA ALA 45 HA ALA 45 1.023 -11.930 -3.732 381 HB1 ALA 45 HB1 ALA 45 0.040 -14.028 -4.561 382 HB2 ALA 45 HB2 ALA 45 0.104 -12.785 -5.810 383 HB3 ALA 45 HB3 ALA 45 -1.422 -13.148 -5.006 384 H HIS 46 H HIS 46 -2.320 -11.052 -3.293 385 HA HIS 46 HA HIS 46 -2.177 -8.878 -5.150 386 HB2 HIS 46 HB3 HIS 46 -4.230 -9.662 -3.096 387 HB3 HIS 46 HB2 HIS 46 -4.356 -8.171 -4.026 388 HD1 HIS 46 HD1 HIS 46 -5.014 -8.365 -6.509 389 HD2 HIS 46 HD2 HIS 46 -4.610 -12.035 -4.589 390 HE1 HIS 46 HE1 HIS 46 -6.030 -10.059 -8.060 391 HE2 HIS 46 HE2 HIS 46 -5.542 -12.285 -6.992 392 H THR 47 H THR 47 -1.355 -9.393 -1.846 393 HA THR 47 HA THR 47 -1.099 -6.687 -1.045 394 HB THR 47 HB THR 47 0.589 -9.054 -0.180 395 HG1 THR 47 HG1 THR 47 -1.672 -8.003 1.181 396 HG21 THR 47 HG21 THR 47 1.540 -6.862 0.418 397 HG22 THR 47 HG22 THR 47 1.009 -7.760 1.841 398 HG23 THR 47 HG23 THR 47 0.026 -6.434 1.216 399 H ARG 48 H ARG 48 1.320 -9.023 -2.231 400 HA ARG 48 HA ARG 48 3.441 -7.378 -2.811 401 HB2 ARG 48 HB3 ARG 48 3.792 -9.662 -3.189 402 HB3 ARG 48 HB2 ARG 48 2.326 -9.829 -4.143 403 HG2 ARG 48 HG3 ARG 48 3.483 -8.371 -5.881 404 HG3 ARG 48 HG2 ARG 48 4.965 -8.665 -4.966 405 HD2 ARG 48 HD3 ARG 48 5.011 -10.902 -5.498 406 HD3 ARG 48 HD2 ARG 48 3.266 -10.988 -5.745 407 HE ARG 48 HE ARG 48 4.590 -9.316 -7.667 408 HH11 ARG 48 HH11 ARG 48 3.800 -12.649 -6.894 409 HH12 ARG 48 HH12 ARG 48 3.758 -13.154 -8.549 410 HH21 ARG 48 HH22 ARG 48 4.538 -9.980 -9.842 411 HH22 ARG 48 HH21 ARG 48 4.161 -11.636 -10.239 412 H GLU 49 H GLU 49 0.748 -8.197 -4.935 413 HA GLU 49 HA GLU 49 1.295 -6.677 -7.146 414 HB2 GLU 49 HB3 GLU 49 -1.208 -7.583 -5.810 415 HB3 GLU 49 HB2 GLU 49 -1.326 -6.546 -7.227 416 HG2 GLU 49 HG3 GLU 49 -0.114 -8.193 -8.537 417 HG3 GLU 49 HG2 GLU 49 0.079 -9.208 -7.105 418 H PHE 50 H PHE 50 -0.830 -5.631 -4.455 419 HA PHE 50 HA PHE 50 -1.135 -3.040 -5.602 420 HB2 PHE 50 HB3 PHE 50 -2.056 -4.312 -3.058 421 HB3 PHE 50 HB2 PHE 50 -2.233 -2.576 -3.295 422 HD1 PHE 50 HD1 PHE 50 -2.846 -2.464 -6.170 423 HD2 PHE 50 HD2 PHE 50 -4.248 -5.113 -3.150 424 HE1 PHE 50 HE1 PHE 50 -4.920 -2.805 -7.443 425 HE2 PHE 50 HE2 PHE 50 -6.327 -5.464 -4.421 426 HZ PHE 50 HZ PHE 50 -6.660 -4.299 -6.568 427 H ILE 51 H ILE 51 0.794 -4.255 -2.867 428 HA ILE 51 HA ILE 51 1.497 -1.677 -1.930 429 HB ILE 51 HB ILE 51 2.956 -4.292 -1.550 430 HG12 ILE 51 HG13 ILE 51 0.696 -4.304 -0.611 431 HG13 ILE 51 HG12 ILE 51 1.892 -4.262 0.680 432 HG21 ILE 51 HG21 ILE 51 3.306 -1.655 -0.127 433 HG22 ILE 51 HG22 ILE 51 4.466 -2.420 -1.215 434 HG23 ILE 51 HG23 ILE 51 4.074 -3.175 0.330 435 HD11 ILE 51 HD11 ILE 51 0.013 -2.798 1.154 436 HD12 ILE 51 HD12 ILE 51 0.317 -1.909 -0.339 437 HD13 ILE 51 HD13 ILE 51 1.504 -1.874 0.966 438 H GLN 52 H GLN 52 3.180 -3.968 -4.069 439 HA GLN 52 HA GLN 52 5.472 -2.355 -4.428 440 HB2 GLN 52 HB3 GLN 52 4.318 -4.632 -6.020 441 HB3 GLN 52 HB2 GLN 52 5.793 -3.809 -6.506 442 HG2 GLN 52 HG3 GLN 52 5.378 -5.174 -3.856 443 HG3 GLN 52 HG2 GLN 52 6.202 -5.883 -5.244 444 HE21 GLN 52 HE22 GLN 52 7.223 -5.317 -2.576 445 HE22 GLN 52 HE21 GLN 52 8.574 -4.263 -2.795 446 H SER 53 H SER 53 2.390 -2.499 -6.145 447 HA SER 53 HA SER 53 3.298 -0.896 -8.326 448 HB2 SER 53 HB3 SER 53 0.831 -0.680 -8.839 449 HB3 SER 53 HB2 SER 53 1.445 -2.331 -8.767 450 HG SER 53 HG SER 53 0.351 -2.687 -6.965 451 H PHE 54 H PHE 54 1.730 -0.242 -5.251 452 HA PHE 54 HA PHE 54 1.197 2.496 -5.713 453 HB2 PHE 54 HB3 PHE 54 0.287 1.059 -3.822 454 HB3 PHE 54 HB2 PHE 54 1.851 1.245 -3.038 455 HD1 PHE 54 HD1 PHE 54 -1.203 2.984 -4.103 456 HD2 PHE 54 HD2 PHE 54 2.469 3.292 -1.977 457 HE1 PHE 54 HE1 PHE 54 -1.966 5.097 -3.099 458 HE2 PHE 54 HE2 PHE 54 1.714 5.406 -0.971 459 HZ PHE 54 HZ PHE 54 -0.506 6.310 -1.530 460 H ILE 55 H ILE 55 4.023 0.733 -4.615 461 HA ILE 55 HA ILE 55 5.594 3.033 -3.977 462 HB ILE 55 HB ILE 55 6.405 0.188 -4.600 463 HG12 ILE 55 HG13 ILE 55 6.208 1.677 -1.972 464 HG13 ILE 55 HG12 ILE 55 5.052 0.482 -2.555 465 HG21 ILE 55 HG21 ILE 55 8.587 0.758 -3.644 466 HG22 ILE 55 HG22 ILE 55 8.084 2.443 -3.510 467 HG23 ILE 55 HG23 ILE 55 8.246 1.694 -5.098 468 HD11 ILE 55 HD11 ILE 55 7.944 -0.031 -1.898 469 HD12 ILE 55 HD12 ILE 55 6.790 -1.229 -2.483 470 HD13 ILE 55 HD13 ILE 55 6.554 -0.473 -0.906 471 H GLU 56 H GLU 56 5.429 0.857 -6.780 472 HA GLU 56 HA GLU 56 7.499 2.083 -8.257 473 HB2 GLU 56 HB3 GLU 56 6.601 -0.219 -8.617 474 HB3 GLU 56 HB2 GLU 56 5.154 0.493 -9.313 475 HG2 GLU 56 HG3 GLU 56 6.475 1.464 -11.107 476 HG3 GLU 56 HG2 GLU 56 7.947 0.809 -10.393 477 H ARG 57 H ARG 57 4.272 3.024 -7.682 478 HA ARG 57 HA ARG 57 3.590 4.482 -9.945 479 HB2 ARG 57 HB3 ARG 57 2.047 4.101 -8.080 480 HB3 ARG 57 HB2 ARG 57 3.026 5.134 -7.046 481 HG2 ARG 57 HG3 ARG 57 2.567 6.954 -8.821 482 HG3 ARG 57 HG2 ARG 57 1.254 5.892 -9.331 483 HD2 ARG 57 HD3 ARG 57 0.304 5.954 -7.100 484 HD3 ARG 57 HD2 ARG 57 1.651 6.942 -6.533 485 HE ARG 57 HE ARG 57 -0.606 7.804 -8.152 486 HH11 ARG 57 HH11 ARG 57 2.580 8.569 -6.895 487 HH12 ARG 57 HH12 ARG 57 2.397 10.283 -7.102 488 HH21 ARG 57 HH22 ARG 57 -0.878 10.065 -8.374 489 HH22 ARG 57 HH21 ARG 57 0.419 11.133 -7.924 490 H ASP 58 H ASP 58 5.907 5.193 -7.445 491 HA ASP 58 HA ASP 58 5.902 8.006 -7.633 492 HB2 ASP 58 HB3 ASP 58 6.873 6.518 -5.786 493 HB3 ASP 58 HB2 ASP 58 8.293 6.369 -6.818 494 H ASP 59 H ASP 59 7.489 5.549 -9.522 495 HA ASP 59 HA ASP 59 9.491 7.107 -10.730 496 HB2 ASP 59 HB3 ASP 59 8.060 4.594 -11.511 497 HB3 ASP 59 HB2 ASP 59 9.100 5.394 -12.685 498 H THR 60 H THR 60 6.078 7.082 -11.175 499 HA THR 60 HA THR 60 5.970 8.142 -13.803 500 HB THR 60 HB THR 60 3.925 8.598 -11.627 501 HG1 THR 60 HG1 THR 60 4.088 6.429 -11.635 502 HG21 THR 60 HG21 THR 60 2.340 8.642 -13.481 503 HG22 THR 60 HG22 THR 60 3.646 8.333 -14.626 504 HG23 THR 60 HG23 THR 60 3.601 9.850 -13.729 505 H GLU 61 H GLU 61 6.306 9.570 -10.614 506 HA GLU 61 HA GLU 61 6.115 12.268 -11.680 507 HB2 GLU 61 HB3 GLU 61 6.646 11.260 -8.873 508 HB3 GLU 61 HB2 GLU 61 6.506 12.958 -9.312 509 HG2 GLU 61 HG3 GLU 61 4.215 12.569 -10.077 510 HG3 GLU 61 HG2 GLU 61 4.354 10.874 -9.622 511 H LEU 62 H LEU 62 8.471 9.890 -10.987 512 HA LEU 62 HA LEU 62 10.746 11.622 -10.951 513 HB2 LEU 62 HB3 LEU 62 10.851 9.385 -9.994 514 HB3 LEU 62 HB2 LEU 62 10.483 8.675 -11.552 515 HG LEU 62 HG LEU 62 12.632 9.445 -12.435 516 HD11 LEU 62 HD11 LEU 62 12.897 11.465 -11.101 517 HD12 LEU 62 HD12 LEU 62 14.308 10.419 -10.947 518 HD13 LEU 62 HD13 LEU 62 13.118 10.489 -9.647 519 HD21 LEU 62 HD21 LEU 62 14.071 7.969 -11.125 520 HD22 LEU 62 HD22 LEU 62 12.486 7.244 -11.392 521 HD23 LEU 62 HD23 LEU 62 12.878 7.953 -9.825 522 H ASP 63 H ASP 63 8.856 9.987 -13.401 523 HA ASP 63 HA ASP 63 10.560 10.373 -15.603 524 HB2 ASP 63 HB3 ASP 63 8.664 8.886 -15.782 525 HB3 ASP 63 HB2 ASP 63 7.542 10.210 -15.477 526 H GLU 64 H GLU 64 8.309 12.515 -13.989 527 HA GLU 64 HA GLU 64 8.197 14.584 -15.870 528 HB2 GLU 64 HB3 GLU 64 8.260 14.887 -12.864 529 HB3 GLU 64 HB2 GLU 64 7.634 16.054 -14.017 530 HG2 GLU 64 HG3 GLU 64 5.931 14.344 -14.682 531 HG3 GLU 64 HG2 GLU 64 6.489 13.364 -13.324 532 H LEU 65 H LEU 65 10.557 13.814 -13.383 533 HA LEU 65 HA LEU 65 12.137 16.152 -13.731 534 HB2 LEU 65 HB3 LEU 65 12.868 13.468 -12.554 535 HB3 LEU 65 HB2 LEU 65 13.814 14.936 -12.397 536 HG LEU 65 HG LEU 65 11.028 14.531 -11.303 537 HD11 LEU 65 HD11 LEU 65 13.698 14.611 -9.910 538 HD12 LEU 65 HD12 LEU 65 12.670 13.193 -10.116 539 HD13 LEU 65 HD13 LEU 65 12.123 14.541 -9.119 540 HD21 LEU 65 HD21 LEU 65 12.961 16.824 -10.984 541 HD22 LEU 65 HD22 LEU 65 11.415 16.655 -10.152 542 HD23 LEU 65 HD23 LEU 65 11.457 16.852 -11.905 543 H LYS 66 H LYS 66 12.093 12.966 -15.172 544 HA LYS 66 HA LYS 66 14.546 13.193 -16.579 545 HB2 LYS 66 HB3 LYS 66 12.092 11.497 -17.059 546 HB3 LYS 66 HB2 LYS 66 13.559 11.369 -18.021 547 HG2 LYS 66 HG3 LYS 66 14.832 10.708 -16.093 548 HG3 LYS 66 HG2 LYS 66 13.445 10.982 -15.039 549 HD2 LYS 66 HD3 LYS 66 12.245 9.170 -16.035 550 HD3 LYS 66 HD2 LYS 66 13.467 8.985 -17.294 551 HE2 LYS 66 HE3 LYS 66 14.033 8.623 -14.359 552 HE3 LYS 66 HE2 LYS 66 13.570 7.300 -15.429 553 HZ1 LYS 66 HZ1 LYS 66 15.995 7.519 -15.116 554 HZ2 LYS 66 HZ2 LYS 66 15.940 9.046 -15.852 555 HZ3 LYS 66 HZ3 LYS 66 15.526 7.660 -16.741 556 H LYS 67 H LYS 67 11.169 13.855 -17.459 557 HA LYS 67 HA LYS 67 11.624 14.825 -20.051 558 HB2 LYS 67 HB3 LYS 67 9.511 15.364 -17.987 559 HB3 LYS 67 HB2 LYS 67 9.528 16.271 -19.492 560 HG2 LYS 67 HG3 LYS 67 9.320 14.214 -20.759 561 HG3 LYS 67 HG2 LYS 67 9.365 13.276 -19.264 562 HD2 LYS 67 HD3 LYS 67 7.289 14.198 -18.534 563 HD3 LYS 67 HD2 LYS 67 7.294 15.385 -19.841 564 HE2 LYS 67 HE3 LYS 67 5.754 13.479 -20.231 565 HE3 LYS 67 HE2 LYS 67 6.979 13.666 -21.483 566 HZ1 LYS 67 HZ1 LYS 67 8.194 11.848 -20.630 567 HZ2 LYS 67 HZ2 LYS 67 6.578 11.339 -20.701 568 HZ3 LYS 67 HZ3 LYS 67 7.263 11.775 -19.213 569 H LYS 68 H LYS 68 11.805 16.370 -16.914 570 HA LYS 68 HA LYS 68 12.098 19.029 -17.773 571 HB2 LYS 68 HB3 LYS 68 11.674 18.002 -15.406 572 HB3 LYS 68 HB2 LYS 68 13.428 17.984 -15.297 573 HG2 LYS 68 HG3 LYS 68 13.506 20.377 -15.627 574 HG3 LYS 68 HG2 LYS 68 11.752 20.423 -15.836 575 HD2 LYS 68 HD3 LYS 68 11.626 19.366 -13.514 576 HD3 LYS 68 HD2 LYS 68 13.328 19.808 -13.354 577 HE2 LYS 68 HE3 LYS 68 11.937 21.529 -12.378 578 HE3 LYS 68 HE2 LYS 68 12.738 22.151 -13.820 579 HZ1 LYS 68 HZ1 LYS 68 10.696 21.780 -15.072 580 HZ2 LYS 68 HZ2 LYS 68 10.415 22.805 -13.751 581 HZ3 LYS 68 HZ3 LYS 68 9.929 21.184 -13.682 582 H ARG 69 H ARG 69 14.479 16.516 -17.020 583 HA ARG 69 HA ARG 69 16.770 18.077 -17.560 584 HB2 ARG 69 HB3 ARG 69 17.075 16.122 -16.271 585 HB3 ARG 69 HB2 ARG 69 16.278 15.109 -17.465 586 HG2 ARG 69 HG3 ARG 69 18.151 15.348 -18.973 587 HG3 ARG 69 HG2 ARG 69 18.933 16.473 -17.861 588 HD2 ARG 69 HD3 ARG 69 19.275 14.780 -16.242 589 HD3 ARG 69 HD2 ARG 69 18.202 13.662 -17.082 590 HE ARG 69 HE ARG 69 19.880 13.342 -18.736 591 HH11 ARG 69 HH11 ARG 69 20.937 15.238 -15.983 592 HH12 ARG 69 HH12 ARG 69 22.621 14.948 -16.268 593 HH21 ARG 69 HH22 ARG 69 22.099 12.966 -19.121 594 HH22 ARG 69 HH21 ARG 69 23.288 13.689 -18.080 595 H ARG 70 H ARG 70 14.606 16.252 -19.625 596 HA ARG 70 HA ARG 70 16.247 16.361 -21.955 597 HB2 ARG 70 HB3 ARG 70 14.296 14.814 -21.703 598 HB3 ARG 70 HB2 ARG 70 13.227 16.207 -21.821 599 HG2 ARG 70 HG3 ARG 70 14.291 16.676 -24.063 600 HG3 ARG 70 HG2 ARG 70 15.045 15.088 -23.934 601 HD2 ARG 70 HD3 ARG 70 12.086 15.666 -23.908 602 HD3 ARG 70 HD2 ARG 70 13.001 14.996 -25.255 603 HE ARG 70 HE ARG 70 12.932 13.541 -22.709 604 HH11 ARG 70 HH11 ARG 70 12.204 13.731 -26.124 605 HH12 ARG 70 HH12 ARG 70 11.586 12.107 -26.215 606 HH21 ARG 70 HH22 ARG 70 12.108 11.396 -22.824 607 HH22 ARG 70 HH21 ARG 70 11.503 10.793 -24.339 608 H SER 71 H SER 71 13.930 18.487 -20.439 609 HA SER 71 HA SER 71 13.853 20.400 -22.573 610 HB2 SER 71 HB3 SER 71 13.031 20.676 -19.672 611 HB3 SER 71 HB2 SER 71 12.584 21.767 -20.984 612 HG SER 71 HG SER 71 11.226 20.302 -21.778 613 H ASN 72 H ASN 72 16.318 19.535 -20.731 614 HA ASN 72 HA ASN 72 18.399 20.397 -20.490 615 HB2 ASN 72 HB3 ASN 72 17.832 21.811 -22.519 616 HB3 ASN 72 HB2 ASN 72 17.356 23.082 -21.400 617 HD21 ASN 72 HD22 ASN 72 18.928 24.492 -22.087 618 HD22 ASN 72 HD21 ASN 72 20.606 24.257 -21.733 619 H ARG 73 H ARG 73 16.054 20.579 -18.599 620 HA ARG 73 HA ARG 73 17.346 22.421 -16.711 621 HB2 ARG 73 HB3 ARG 73 14.471 21.709 -17.085 622 HB3 ARG 73 HB2 ARG 73 15.036 22.074 -15.463 623 HG2 ARG 73 HG3 ARG 73 14.140 24.067 -16.373 624 HG3 ARG 73 HG2 ARG 73 15.894 24.250 -16.333 625 HD2 ARG 73 HD3 ARG 73 15.999 23.682 -18.709 626 HD3 ARG 73 HD2 ARG 73 14.247 23.507 -18.746 627 HE ARG 73 HE ARG 73 14.921 26.064 -17.764 628 HH11 ARG 73 HH11 ARG 73 14.927 24.203 -20.730 629 HH12 ARG 73 HH12 ARG 73 14.761 25.600 -21.753 630 HH21 ARG 73 HH22 ARG 73 14.707 27.896 -19.105 631 HH22 ARG 73 HH21 ARG 73 14.676 27.700 -20.833 632 HA PRO 74 HA PRO 74 18.240 18.259 -14.993 633 HB2 PRO 74 HB2 PRO 74 20.584 19.663 -13.928 634 HB3 PRO 74 HB3 PRO 74 20.512 18.214 -14.933 635 HG2 PRO 74 HG3 PRO 74 21.399 20.572 -15.884 636 HG3 PRO 74 HG2 PRO 74 20.522 19.411 -16.898 637 HD2 PRO 74 HD3 PRO 74 19.528 21.908 -15.581 638 HD3 PRO 74 HD2 PRO 74 19.180 21.271 -17.202 639 HA PRO 75 HA PRO 75 16.784 19.814 -11.023 640 HB2 PRO 75 HB2 PRO 75 15.690 17.262 -10.452 641 HB3 PRO 75 HB3 PRO 75 14.829 18.677 -11.057 642 HG2 PRO 75 HG3 PRO 75 15.242 16.296 -12.453 643 HG3 PRO 75 HG2 PRO 75 14.741 17.839 -13.161 644 HD2 PRO 75 HD3 PRO 75 17.445 16.581 -13.067 645 HD3 PRO 75 HD2 PRO 75 16.705 17.580 -14.338 646 H SER 76 H SER 76 18.198 19.936 -9.377 647 HA SER 76 HA SER 76 19.974 17.707 -8.835 648 HB2 SER 76 HB3 SER 76 20.956 19.305 -7.132 649 HB3 SER 76 HB2 SER 76 21.029 19.850 -8.807 650 HG SER 76 HG SER 76 19.866 21.033 -6.696 651 H ASN 77 H ASN 77 18.185 19.802 -6.577 652 HA ASN 77 HA ASN 77 18.155 17.810 -4.566 653 HB2 ASN 77 HB3 ASN 77 16.725 19.348 -3.292 654 HB3 ASN 77 HB2 ASN 77 18.104 20.186 -3.990 655 HD21 ASN 77 HD22 ASN 77 15.408 21.100 -3.098 656 HD22 ASN 77 HD21 ASN 77 14.765 21.971 -4.448 657 H ARG 78 H ARG 78 15.871 18.731 -7.042 658 HA ARG 78 HA ARG 78 13.595 17.448 -5.971 659 HB2 ARG 78 HB3 ARG 78 14.346 18.162 -8.807 660 HB3 ARG 78 HB2 ARG 78 12.778 17.505 -8.359 661 HG2 ARG 78 HG3 ARG 78 13.859 19.989 -7.081 662 HG3 ARG 78 HG2 ARG 78 12.990 20.033 -8.616 663 HD2 ARG 78 HD3 ARG 78 11.901 18.810 -6.085 664 HD3 ARG 78 HD2 ARG 78 11.569 20.462 -6.608 665 HE ARG 78 HE ARG 78 10.535 17.998 -7.789 666 HH11 ARG 78 HH11 ARG 78 10.858 21.487 -7.965 667 HH12 ARG 78 HH12 ARG 78 9.574 21.673 -9.124 668 HH21 ARG 78 HH22 ARG 78 8.823 18.250 -9.305 669 HH22 ARG 78 HH21 ARG 78 8.421 19.843 -9.878 670 H GLN 79 H GLN 79 16.229 16.317 -8.016 671 HA GLN 79 HA GLN 79 14.941 13.808 -8.586 672 HB2 GLN 79 HB3 GLN 79 16.543 14.954 -10.141 673 HB3 GLN 79 HB2 GLN 79 17.833 14.557 -9.016 674 HG2 GLN 79 HG3 GLN 79 17.379 12.180 -9.325 675 HG3 GLN 79 HG2 GLN 79 16.079 12.576 -10.449 676 HE21 GLN 79 HE22 GLN 79 17.018 11.526 -12.165 677 HE22 GLN 79 HE21 GLN 79 18.427 12.120 -12.973 678 H VAL 80 H VAL 80 17.501 14.959 -6.440 679 HA VAL 80 HA VAL 80 18.281 12.427 -5.468 680 HB VAL 80 HB VAL 80 18.452 15.114 -4.084 681 HG11 VAL 80 HG11 VAL 80 18.653 13.287 -2.484 682 HG12 VAL 80 HG12 VAL 80 20.213 14.076 -2.719 683 HG13 VAL 80 HG13 VAL 80 19.885 12.524 -3.489 684 HG21 VAL 80 HG21 VAL 80 19.639 15.099 -6.200 685 HG22 VAL 80 HG22 VAL 80 20.461 13.603 -5.753 686 HG23 VAL 80 HG23 VAL 80 20.789 15.091 -4.862 687 H LEU 81 H LEU 81 16.032 14.852 -4.128 688 HA LEU 81 HA LEU 81 15.278 13.395 -1.856 689 HB2 LEU 81 HB3 LEU 81 14.828 15.791 -2.178 690 HB3 LEU 81 HB2 LEU 81 13.665 15.405 -3.430 691 HG LEU 81 HG LEU 81 12.280 14.230 -1.739 692 HD11 LEU 81 HD11 LEU 81 12.760 14.587 0.636 693 HD12 LEU 81 HD12 LEU 81 14.291 15.351 0.208 694 HD13 LEU 81 HD13 LEU 81 14.026 13.645 -0.152 695 HD21 LEU 81 HD21 LEU 81 12.944 17.102 -1.100 696 HD22 LEU 81 HD22 LEU 81 11.472 16.254 -0.628 697 HD23 LEU 81 HD23 LEU 81 11.813 16.546 -2.333 698 H LEU 82 H LEU 82 14.020 13.400 -5.134 699 HA LEU 82 HA LEU 82 11.749 11.813 -4.818 700 HB2 LEU 82 HB3 LEU 82 12.694 13.069 -6.882 701 HB3 LEU 82 HB2 LEU 82 13.619 11.614 -7.172 702 HG LEU 82 HG LEU 82 11.621 11.717 -8.570 703 HD11 LEU 82 HD11 LEU 82 12.454 9.524 -7.946 704 HD12 LEU 82 HD12 LEU 82 10.697 9.515 -8.088 705 HD13 LEU 82 HD13 LEU 82 11.453 9.543 -6.494 706 HD21 LEU 82 HD21 LEU 82 10.199 13.026 -7.099 707 HD22 LEU 82 HD22 LEU 82 10.086 11.667 -5.980 708 HD23 LEU 82 HD23 LEU 82 9.394 11.538 -7.597 709 H GLN 83 H GLN 83 15.038 10.835 -5.740 710 HA GLN 83 HA GLN 83 14.587 8.075 -5.761 711 HB2 GLN 83 HB3 GLN 83 16.520 9.227 -6.806 712 HB3 GLN 83 HB2 GLN 83 17.177 9.528 -5.205 713 HG2 GLN 83 HG3 GLN 83 17.318 7.098 -4.836 714 HG3 GLN 83 HG2 GLN 83 16.733 6.839 -6.479 715 HE21 GLN 83 HE22 GLN 83 19.248 6.052 -5.252 716 HE22 GLN 83 HE21 GLN 83 20.499 6.764 -6.208 717 H GLN 84 H GLN 84 15.510 10.245 -3.150 718 HA GLN 84 HA GLN 84 16.351 8.313 -1.295 719 HB2 GLN 84 HB3 GLN 84 15.174 11.059 -0.898 720 HB3 GLN 84 HB2 GLN 84 15.797 10.076 0.422 721 HG2 GLN 84 HG3 GLN 84 17.996 10.069 -0.583 722 HG3 GLN 84 HG2 GLN 84 17.390 10.979 -1.965 723 HE21 GLN 84 HE22 GLN 84 19.494 11.628 -0.058 724 HE22 GLN 84 HE21 GLN 84 19.049 13.161 0.625 725 H ARG 85 H ARG 85 13.132 9.842 -1.681 726 HA ARG 85 HA ARG 85 11.994 8.316 0.444 727 HB2 ARG 85 HB3 ARG 85 11.157 10.545 -0.725 728 HB3 ARG 85 HB2 ARG 85 10.260 9.409 -1.726 729 HG2 ARG 85 HG3 ARG 85 9.762 8.478 0.796 730 HG3 ARG 85 HG2 ARG 85 9.822 10.223 1.041 731 HD2 ARG 85 HD3 ARG 85 7.573 9.723 0.558 732 HD3 ARG 85 HD2 ARG 85 8.237 10.410 -0.925 733 HE ARG 85 HE ARG 85 7.869 7.505 -0.486 734 HH11 ARG 85 HH11 ARG 85 7.718 10.351 -2.519 735 HH12 ARG 85 HH12 ARG 85 7.260 9.472 -3.947 736 HH21 ARG 85 HH22 ARG 85 7.210 6.358 -2.365 737 HH22 ARG 85 HH21 ARG 85 6.954 7.218 -3.849 738 H ARG 86 H ARG 86 12.165 7.955 -3.046 739 HA ARG 86 HA ARG 86 10.503 5.751 -3.419 740 HB2 ARG 86 HB3 ARG 86 11.623 7.080 -5.214 741 HB3 ARG 86 HB2 ARG 86 13.141 6.303 -4.797 742 HG2 ARG 86 HG3 ARG 86 12.045 4.107 -5.336 743 HG3 ARG 86 HG2 ARG 86 10.689 5.036 -5.981 744 HD2 ARG 86 HD3 ARG 86 12.323 6.219 -7.467 745 HD3 ARG 86 HD2 ARG 86 13.552 5.082 -6.919 746 HE ARG 86 HE ARG 86 11.131 4.343 -8.444 747 HH11 ARG 86 HH11 ARG 86 14.483 3.777 -7.548 748 HH12 ARG 86 HH12 ARG 86 14.678 2.461 -8.655 749 HH21 ARG 86 HH22 ARG 86 11.393 2.658 -9.894 750 HH22 ARG 86 HH21 ARG 86 12.920 1.819 -10.006 751 H ASP 87 H ASP 87 13.971 5.864 -2.699 752 HA ASP 87 HA ASP 87 14.376 3.084 -2.482 753 HB2 ASP 87 HB3 ASP 87 16.176 4.761 -2.804 754 HB3 ASP 87 HB2 ASP 87 15.914 5.335 -1.163 755 H GLN 88 H GLN 88 13.322 5.518 -0.196 756 HA GLN 88 HA GLN 88 13.511 3.962 2.154 757 HB2 GLN 88 HB3 GLN 88 13.253 6.356 2.303 758 HB3 GLN 88 HB2 GLN 88 11.717 6.290 1.451 759 HG2 GLN 88 HG3 GLN 88 11.308 6.629 3.780 760 HG3 GLN 88 HG2 GLN 88 10.767 5.013 3.331 761 HE21 GLN 88 HE22 GLN 88 11.895 3.219 4.087 762 HE22 GLN 88 HE21 GLN 88 12.993 3.328 5.428 763 H GLU 89 H GLU 89 10.920 4.392 -0.225 764 HA GLU 89 HA GLU 89 8.889 2.943 1.007 765 HB2 GLU 89 HB3 GLU 89 9.565 2.969 -1.944 766 HB3 GLU 89 HB2 GLU 89 8.022 2.506 -1.246 767 HG2 GLU 89 HG3 GLU 89 9.252 5.247 -1.121 768 HG3 GLU 89 HG2 GLU 89 7.968 4.741 -2.214 769 H LEU 90 H LEU 90 11.491 1.830 -1.128 770 HA LEU 90 HA LEU 90 10.809 -0.891 -1.104 771 HB2 LEU 90 HB3 LEU 90 13.328 0.604 -1.685 772 HB3 LEU 90 HB2 LEU 90 13.384 -1.143 -1.545 773 HG LEU 90 HG LEU 90 13.196 -0.586 -3.860 774 HD11 LEU 90 HD11 LEU 90 10.544 -1.548 -2.805 775 HD12 LEU 90 HD12 LEU 90 11.956 -2.540 -3.171 776 HD13 LEU 90 HD13 LEU 90 11.104 -1.706 -4.470 777 HD21 LEU 90 HD21 LEU 90 11.329 0.702 -4.770 778 HD22 LEU 90 HD22 LEU 90 12.303 1.665 -3.660 779 HD23 LEU 90 HD23 LEU 90 10.750 1.019 -3.135 780 H LYS 91 H LYS 91 13.027 0.936 1.008 781 HA LYS 91 HA LYS 91 13.978 -1.276 2.467 782 HB2 LYS 91 HB3 LYS 91 13.601 1.555 3.458 783 HB3 LYS 91 HB2 LYS 91 14.599 0.326 4.217 784 HG2 LYS 91 HG3 LYS 91 15.962 0.265 2.120 785 HG3 LYS 91 HG2 LYS 91 15.043 1.669 1.567 786 HD2 LYS 91 HD3 LYS 91 15.729 2.806 3.712 787 HD3 LYS 91 HD2 LYS 91 16.838 1.459 3.972 788 HE2 LYS 91 HE3 LYS 91 16.838 3.386 1.655 789 HE3 LYS 91 HE2 LYS 91 18.018 3.306 2.962 790 HZ1 LYS 91 HZ1 LYS 91 18.890 2.257 1.011 791 HZ2 LYS 91 HZ2 LYS 91 17.544 1.236 0.881 792 HZ3 LYS 91 HZ3 LYS 91 18.619 1.065 2.183 793 H GLU 92 H GLU 92 11.159 0.775 2.906 794 HA GLU 92 HA GLU 92 10.409 -0.078 5.466 795 HB2 GLU 92 HB3 GLU 92 9.489 1.922 4.417 796 HB3 GLU 92 HB2 GLU 92 8.704 0.941 3.188 797 HG2 GLU 92 HG3 GLU 92 7.282 -0.069 4.863 798 HG3 GLU 92 HG2 GLU 92 8.100 0.840 6.132 799 H PHE 93 H PHE 93 9.376 -1.241 2.264 800 HA PHE 93 HA PHE 93 7.745 -3.292 3.487 801 HB2 PHE 93 HB3 PHE 93 7.202 -2.012 1.326 802 HB3 PHE 93 HB2 PHE 93 8.375 -3.072 0.550 803 HD1 PHE 93 HD2 PHE 93 5.551 -3.461 2.963 804 HD2 PHE 93 HD1 PHE 93 7.452 -4.833 -0.589 805 HE1 PHE 93 HE2 PHE 93 3.808 -5.175 2.699 806 HE2 PHE 93 HE1 PHE 93 5.710 -6.550 -0.859 807 HZ PHE 93 HZ PHE 93 3.886 -6.721 0.785 808 H LYS 94 H LYS 94 10.975 -2.972 2.809 809 HA LYS 94 HA LYS 94 11.463 -5.770 2.214 810 HB2 LYS 94 HB3 LYS 94 12.940 -4.097 1.225 811 HB3 LYS 94 HB2 LYS 94 13.359 -3.490 2.820 812 HG2 LYS 94 HG3 LYS 94 14.395 -5.652 3.356 813 HG3 LYS 94 HG2 LYS 94 14.013 -6.218 1.728 814 HD2 LYS 94 HD3 LYS 94 15.450 -4.581 0.747 815 HD3 LYS 94 HD2 LYS 94 15.687 -3.779 2.302 816 HE2 LYS 94 HE3 LYS 94 16.579 -6.574 1.597 817 HE3 LYS 94 HE2 LYS 94 17.621 -5.153 1.694 818 HZ1 LYS 94 HZ1 LYS 94 16.087 -6.361 3.939 819 HZ2 LYS 94 HZ2 LYS 94 17.025 -4.951 4.048 820 HZ3 LYS 94 HZ3 LYS 94 17.766 -6.437 3.719 821 H ALA 95 H ALA 95 11.675 -3.530 4.919 822 HA ALA 95 HA ALA 95 12.756 -5.470 6.741 823 HB1 ALA 95 HB1 ALA 95 11.420 -2.821 7.298 824 HB2 ALA 95 HB2 ALA 95 13.150 -3.076 7.065 825 HB3 ALA 95 HB3 ALA 95 12.333 -3.783 8.459 826 H GLY 96 H GLY 96 9.584 -4.369 5.789 827 HA2 GLY 96 HA3 GLY 96 7.825 -6.110 6.020 828 HA3 GLY 96 HA2 GLY 96 8.408 -6.327 7.665 829 H PHE 97 H PHE 97 6.610 -4.278 5.501 830 HA PHE 97 HA PHE 97 6.116 -2.265 7.503 831 HB2 PHE 97 HB3 PHE 97 6.277 -1.603 5.155 832 HB3 PHE 97 HB2 PHE 97 4.920 -2.645 4.745 833 HD1 PHE 97 HD2 PHE 97 5.671 0.074 7.202 834 HD2 PHE 97 HD1 PHE 97 2.917 -1.587 4.415 835 HE1 PHE 97 HE2 PHE 97 4.113 1.925 7.646 836 HE2 PHE 97 HE1 PHE 97 1.354 0.262 4.856 837 HZ PHE 97 HZ PHE 97 1.950 2.019 6.473 838 H LEU 98 H LEU 98 4.079 -1.750 8.356 839 HA LEU 98 HA LEU 98 2.591 -4.000 9.242 840 HB2 LEU 98 HB3 LEU 98 3.082 -1.739 10.409 841 HB3 LEU 98 HB2 LEU 98 1.713 -1.138 9.495 842 HG LEU 98 HG LEU 98 0.316 -2.918 10.558 843 HD11 LEU 98 HD11 LEU 98 2.755 -3.283 12.285 844 HD12 LEU 98 HD12 LEU 98 2.097 -4.464 11.152 845 HD13 LEU 98 HD13 LEU 98 1.168 -3.996 12.577 846 HD21 LEU 98 HD21 LEU 98 0.289 -0.622 11.366 847 HD22 LEU 98 HD22 LEU 98 1.668 -0.965 12.412 848 HD23 LEU 98 HD23 LEU 98 0.121 -1.760 12.703 849 H CYS 99 H CYS 99 1.429 -5.044 7.722 850 HA CYS 99 HA CYS 99 -0.510 -3.479 6.144 851 HB2 CYS 99 HB3 CYS 99 0.936 -5.962 5.194 852 HB3 CYS 99 HB2 CYS 99 -0.159 -4.953 4.256 853 HG CYS 99 HG CYS 99 2.978 -4.123 5.326 854 HA PRO 100 HA PRO 100 -3.417 -6.375 7.848 855 HB2 PRO 100 HB2 PRO 100 -5.493 -6.035 6.170 856 HB3 PRO 100 HB3 PRO 100 -5.001 -4.781 7.315 857 HG2 PRO 100 HG3 PRO 100 -4.447 -4.994 4.385 858 HG3 PRO 100 HG2 PRO 100 -4.873 -3.565 5.342 859 HD2 PRO 100 HD3 PRO 100 -2.311 -4.196 4.570 860 HD3 PRO 100 HD2 PRO 100 -2.708 -3.207 5.989 861 H ASP 101 H ASP 101 -4.289 -8.443 7.506 862 HA ASP 101 HA ASP 101 -3.215 -9.914 5.273 863 HB2 ASP 101 HB3 ASP 101 -3.377 -10.969 7.505 864 HB3 ASP 101 HB2 ASP 101 -5.133 -10.838 7.425 865 H LEU 102 H LEU 102 -4.243 -10.326 3.407 866 HA LEU 102 HA LEU 102 -6.782 -8.978 3.039 867 HB2 LEU 102 HB3 LEU 102 -4.898 -10.209 1.041 868 HB3 LEU 102 HB2 LEU 102 -6.367 -9.347 0.630 869 HG LEU 102 HG LEU 102 -3.854 -8.223 1.852 870 HD11 LEU 102 HD11 LEU 102 -5.347 -7.738 -0.717 871 HD12 LEU 102 HD12 LEU 102 -3.771 -8.511 -0.529 872 HD13 LEU 102 HD13 LEU 102 -3.959 -6.794 -0.168 873 HD21 LEU 102 HD21 LEU 102 -6.502 -6.838 1.423 874 HD22 LEU 102 HD22 LEU 102 -4.995 -6.060 1.907 875 HD23 LEU 102 HD23 LEU 102 -5.774 -7.220 2.983 876 H SER 103 H SER 103 -6.055 -12.057 3.932 877 HA SER 103 HA SER 103 -8.117 -13.219 2.185 878 HB2 SER 103 HB3 SER 103 -7.278 -15.431 2.969 879 HB3 SER 103 HB2 SER 103 -6.053 -14.479 2.137 880 HG SER 103 HG SER 103 -5.791 -13.824 4.647 881 H ASP 104 H ASP 104 -7.824 -11.820 5.143 882 HA ASP 104 HA ASP 104 -9.896 -13.455 6.393 883 HB2 ASP 104 HB3 ASP 104 -8.039 -12.697 7.816 884 HB3 ASP 104 HB2 ASP 104 -8.425 -11.021 7.437 885 H ALA 105 H ALA 105 -11.901 -13.060 5.743 886 HA ALA 105 HA ALA 105 -12.632 -10.751 4.281 887 HB1 ALA 105 HB1 ALA 105 -14.429 -12.817 5.545 888 HB2 ALA 105 HB2 ALA 105 -13.679 -12.943 3.954 889 HB3 ALA 105 HB3 ALA 105 -14.872 -11.683 4.272 890 H LYS 106 H LYS 106 -12.684 -11.457 7.661 891 HA LYS 106 HA LYS 106 -14.696 -9.616 8.455 892 HB2 LYS 106 HB3 LYS 106 -12.299 -10.562 10.039 893 HB3 LYS 106 HB2 LYS 106 -13.778 -9.873 10.693 894 HG2 LYS 106 HG3 LYS 106 -15.020 -11.791 10.221 895 HG3 LYS 106 HG2 LYS 106 -13.815 -12.398 9.082 896 HD2 LYS 106 HD3 LYS 106 -12.248 -12.754 10.913 897 HD3 LYS 106 HD2 LYS 106 -13.429 -12.120 12.059 898 HE2 LYS 106 HE3 LYS 106 -14.905 -13.953 11.655 899 HE3 LYS 106 HE2 LYS 106 -13.912 -14.526 10.315 900 HZ1 LYS 106 HZ1 LYS 106 -12.940 -14.362 13.112 901 HZ2 LYS 106 HZ2 LYS 106 -12.182 -15.124 11.803 902 HZ3 LYS 106 HZ3 LYS 106 -13.618 -15.763 12.447 903 H ASN 107 H ASN 107 -11.162 -9.473 8.406 904 HA ASN 107 HA ASN 107 -10.998 -6.743 9.158 905 HB2 ASN 107 HB3 ASN 107 -9.052 -8.704 7.982 906 HB3 ASN 107 HB2 ASN 107 -8.615 -7.010 8.196 907 HD21 ASN 107 HD22 ASN 107 -9.564 -9.953 9.836 908 HD22 ASN 107 HD21 ASN 107 -8.993 -9.477 11.402 909 H MET 108 H MET 108 -11.125 -8.386 6.039 910 HA MET 108 HA MET 108 -10.613 -6.105 4.461 911 HB2 MET 108 HB3 MET 108 -12.192 -8.609 3.874 912 HB3 MET 108 HB2 MET 108 -11.907 -7.352 2.677 913 HG2 MET 108 HG3 MET 108 -9.822 -9.010 4.074 914 HG3 MET 108 HG2 MET 108 -10.321 -9.137 2.389 915 HE1 MET 108 HE1 MET 108 -9.824 -7.223 0.551 916 HE2 MET 108 HE2 MET 108 -9.051 -5.686 0.953 917 HE3 MET 108 HE3 MET 108 -10.649 -6.070 1.601 918 H GLU 109 H GLU 109 -13.470 -7.255 6.104 919 HA GLU 109 HA GLU 109 -15.293 -5.435 4.886 920 HB2 GLU 109 HB3 GLU 109 -16.002 -7.493 6.090 921 HB3 GLU 109 HB2 GLU 109 -15.473 -6.763 7.599 922 HG2 GLU 109 HG3 GLU 109 -17.832 -6.528 7.446 923 HG3 GLU 109 HG2 GLU 109 -17.112 -4.936 7.216 924 H PHE 110 H PHE 110 -13.405 -5.388 7.908 925 HA PHE 110 HA PHE 110 -14.196 -2.840 8.789 926 HB2 PHE 110 HB3 PHE 110 -11.544 -4.252 9.169 927 HB3 PHE 110 HB2 PHE 110 -12.029 -2.797 10.028 928 HD1 PHE 110 HD2 PHE 110 -14.611 -3.166 10.999 929 HD2 PHE 110 HD1 PHE 110 -11.587 -6.112 10.476 930 HE1 PHE 110 HE2 PHE 110 -15.664 -4.549 12.739 931 HE2 PHE 110 HE1 PHE 110 -12.637 -7.503 12.215 932 HZ PHE 110 HZ PHE 110 -14.679 -6.722 13.349 933 H LEU 111 H LEU 111 -11.670 -3.887 6.585 934 HA LEU 111 HA LEU 111 -10.476 -1.395 6.088 935 HB2 LEU 111 HB3 LEU 111 -10.038 -3.973 5.317 936 HB3 LEU 111 HB2 LEU 111 -10.662 -3.285 3.831 937 HG LEU 111 HG LEU 111 -8.265 -2.273 5.358 938 HD11 LEU 111 HD11 LEU 111 -6.986 -3.132 3.456 939 HD12 LEU 111 HD12 LEU 111 -8.464 -3.814 2.778 940 HD13 LEU 111 HD13 LEU 111 -7.837 -4.416 4.312 941 HD21 LEU 111 HD21 LEU 111 -9.385 -1.423 2.693 942 HD22 LEU 111 HD22 LEU 111 -7.881 -0.850 3.415 943 HD23 LEU 111 HD23 LEU 111 -9.427 -0.479 4.182 944 H ARG 112 H ARG 112 -13.211 -3.055 4.616 945 HA ARG 112 HA ARG 112 -13.761 -1.162 2.597 946 HB2 ARG 112 HB3 ARG 112 -15.317 -3.338 3.941 947 HB3 ARG 112 HB2 ARG 112 -16.147 -2.219 2.868 948 HG2 ARG 112 HG3 ARG 112 -15.071 -2.992 1.001 949 HG3 ARG 112 HG2 ARG 112 -13.668 -3.554 1.908 950 HD2 ARG 112 HD3 ARG 112 -15.178 -5.342 0.948 951 HD3 ARG 112 HD2 ARG 112 -14.792 -5.478 2.661 952 HE ARG 112 HE ARG 112 -17.009 -4.722 3.180 953 HH11 ARG 112 HH11 ARG 112 -16.466 -5.420 -0.220 954 HH12 ARG 112 HH12 ARG 112 -18.139 -5.716 -0.554 955 HH21 ARG 112 HH22 ARG 112 -19.201 -5.106 2.736 956 HH22 ARG 112 HH21 ARG 112 -19.703 -5.544 1.128 957 H ASN 113 H ASN 113 -14.763 -1.439 5.955 958 HA ASN 113 HA ASN 113 -16.480 0.917 5.728 959 HB2 ASN 113 HB3 ASN 113 -15.970 -0.931 8.074 960 HB3 ASN 113 HB2 ASN 113 -17.128 0.392 8.061 961 HD21 ASN 113 HD22 ASN 113 -17.945 -0.146 5.292 962 HD22 ASN 113 HD21 ASN 113 -18.921 -1.573 5.361 963 H TRP 114 H TRP 114 -13.421 0.876 5.686 964 HA TRP 114 HA TRP 114 -12.586 2.073 8.140 965 HB2 TRP 114 HB3 TRP 114 -11.110 0.760 6.575 966 HB3 TRP 114 HB2 TRP 114 -11.153 2.135 5.479 967 HD1 TRP 114 HD1 TRP 114 -10.056 1.361 9.113 968 HE1 TRP 114 HE1 TRP 114 -8.024 2.841 9.660 969 HE3 TRP 114 HE3 TRP 114 -9.835 4.057 4.780 970 HZ2 TRP 114 HZ2 TRP 114 -6.520 4.874 8.410 971 HZ3 TRP 114 HZ3 TRP 114 -8.066 5.748 4.534 972 HH2 TRP 114 HH2 TRP 114 -6.444 6.149 6.311 973 H ASN 115 H ASN 115 -13.081 4.070 8.747 974 HA ASN 115 HA ASN 115 -13.733 6.059 6.683 975 HB2 ASN 115 HB3 ASN 115 -15.454 5.462 8.419 976 HB3 ASN 115 HB2 ASN 115 -14.381 6.132 9.641 977 HD21 ASN 115 HD22 ASN 115 -15.818 7.707 10.260 978 HD22 ASN 115 HD21 ASN 115 -16.217 9.069 9.264 979 H GLY 116 H GLY 116 -10.996 5.385 7.432 980 HA2 GLY 116 HA3 GLY 116 -9.028 6.556 7.781 981 HA3 GLY 116 HA2 GLY 116 -9.989 8.013 8.007 982 H THR 117 H THR 117 -10.931 5.345 9.839 983 HA THR 117 HA THR 117 -10.492 6.694 12.302 984 HB THR 117 HB THR 117 -11.238 3.793 12.020 985 HG1 THR 117 HG1 THR 117 -13.130 5.910 11.818 986 HG21 THR 117 HG21 THR 117 -12.148 5.971 13.906 987 HG22 THR 117 HG22 THR 117 -10.989 4.697 14.287 988 HG23 THR 117 HG23 THR 117 -12.669 4.287 13.945 989 H PHE 118 H PHE 118 -8.678 6.667 13.486 990 HA PHE 118 HA PHE 118 -6.466 4.993 12.851 991 HB2 PHE 118 HB3 PHE 118 -6.312 7.288 13.879 992 HB3 PHE 118 HB2 PHE 118 -6.881 6.587 15.390 993 HD1 PHE 118 HD2 PHE 118 -4.132 6.601 12.941 994 HD2 PHE 118 HD1 PHE 118 -5.421 5.367 16.804 995 HE1 PHE 118 HE2 PHE 118 -1.817 6.000 13.516 996 HE2 PHE 118 HE1 PHE 118 -3.108 4.763 17.386 997 HZ PHE 118 HZ PHE 118 -1.304 5.077 15.742 998 H GLY 119 H GLY 119 -8.983 4.932 15.328 999 HA2 GLY 119 HA3 GLY 119 -8.035 2.773 16.848 1000 HA3 GLY 119 HA2 GLY 119 -9.726 3.222 16.669 1001 H LEU 120 H LEU 120 -9.663 2.864 13.759 1002 HA LEU 120 HA LEU 120 -10.355 0.123 13.636 1003 HB2 LEU 120 HB3 LEU 120 -10.203 2.365 11.712 1004 HB3 LEU 120 HB2 LEU 120 -10.114 0.751 11.035 1005 HG LEU 120 HG LEU 120 -12.347 1.743 12.809 1006 HD11 LEU 120 HD11 LEU 120 -12.257 1.333 9.822 1007 HD12 LEU 120 HD12 LEU 120 -12.354 2.885 10.656 1008 HD13 LEU 120 HD13 LEU 120 -13.690 1.739 10.764 1009 HD21 LEU 120 HD21 LEU 120 -13.462 -0.314 12.143 1010 HD22 LEU 120 HD22 LEU 120 -11.928 -0.673 12.940 1011 HD23 LEU 120 HD23 LEU 120 -12.055 -0.778 11.183 1012 H LEU 121 H LEU 121 -7.378 1.791 13.240 1013 HA LEU 121 HA LEU 121 -6.082 -0.249 11.693 1014 HB2 LEU 121 HB3 LEU 121 -4.895 1.940 13.404 1015 HB3 LEU 121 HB2 LEU 121 -4.004 0.936 12.277 1016 HG LEU 121 HG LEU 121 -6.166 2.913 11.545 1017 HD11 LEU 121 HD11 LEU 121 -4.334 4.168 10.525 1018 HD12 LEU 121 HD12 LEU 121 -3.181 2.982 11.136 1019 HD13 LEU 121 HD13 LEU 121 -4.099 3.981 12.262 1020 HD21 LEU 121 HD21 LEU 121 -6.150 0.997 10.037 1021 HD22 LEU 121 HD22 LEU 121 -4.414 1.185 9.800 1022 HD23 LEU 121 HD23 LEU 121 -5.521 2.434 9.231 1023 H ASN 122 H ASN 122 -6.884 0.215 14.987 1024 HA ASN 122 HA ASN 122 -4.970 -1.784 15.894 1025 HB2 ASN 122 HB3 ASN 122 -7.011 -0.127 17.383 1026 HB3 ASN 122 HB2 ASN 122 -6.000 -1.348 18.148 1027 HD21 ASN 122 HD22 ASN 122 -3.681 -0.739 16.458 1028 HD22 ASN 122 HD21 ASN 122 -3.052 0.763 17.051 1029 H THR 123 H THR 123 -8.273 -1.500 14.935 1030 HA THR 123 HA THR 123 -9.035 -4.053 16.043 1031 HB THR 123 HB THR 123 -11.114 -3.760 14.695 1032 HG1 THR 123 HG1 THR 123 -9.952 -2.363 13.098 1033 HG21 THR 123 HG21 THR 123 -11.990 -1.877 15.989 1034 HG22 THR 123 HG22 THR 123 -10.345 -1.389 16.399 1035 HG23 THR 123 HG23 THR 123 -10.983 -2.923 16.992 1036 H LEU 124 H LEU 124 -7.605 -2.828 13.172 1037 HA LEU 124 HA LEU 124 -8.133 -5.133 11.548 1038 HB2 LEU 124 HB3 LEU 124 -6.361 -2.732 11.236 1039 HB3 LEU 124 HB2 LEU 124 -6.301 -4.069 10.103 1040 HG LEU 124 HG LEU 124 -8.776 -2.436 10.684 1041 HD11 LEU 124 HD11 LEU 124 -7.076 -1.083 9.584 1042 HD12 LEU 124 HD12 LEU 124 -8.400 -1.453 8.478 1043 HD13 LEU 124 HD13 LEU 124 -6.873 -2.326 8.348 1044 HD21 LEU 124 HD21 LEU 124 -9.665 -3.547 8.703 1045 HD22 LEU 124 HD22 LEU 124 -9.237 -4.719 9.951 1046 HD23 LEU 124 HD23 LEU 124 -8.181 -4.488 8.558 1047 H ARG 125 H ARG 125 -6.940 -6.921 11.310 1048 HA ARG 125 HA ARG 125 -4.690 -7.401 13.017 1049 HB2 ARG 125 HB3 ARG 125 -5.747 -9.024 10.696 1050 HB3 ARG 125 HB2 ARG 125 -4.492 -9.553 11.806 1051 HG2 ARG 125 HG3 ARG 125 -6.187 -9.275 13.654 1052 HG3 ARG 125 HG2 ARG 125 -7.399 -9.079 12.384 1053 HD2 ARG 125 HD3 ARG 125 -6.688 -11.261 11.442 1054 HD3 ARG 125 HD2 ARG 125 -5.602 -11.462 12.816 1055 HE ARG 125 HE ARG 125 -8.525 -11.616 12.840 1056 HH11 ARG 125 HH11 ARG 125 -5.537 -11.612 14.676 1057 HH12 ARG 125 HH12 ARG 125 -6.207 -12.505 16.008 1058 HH21 ARG 125 HH22 ARG 125 -9.407 -12.750 14.604 1059 HH22 ARG 125 HH21 ARG 125 -8.414 -13.136 15.978 1060 H LEU 126 H LEU 126 -3.660 -5.401 12.146 1061 HA LEU 126 HA LEU 126 -2.360 -5.626 9.591 1062 HB2 LEU 126 HB3 LEU 126 -1.871 -3.664 11.837 1063 HB3 LEU 126 HB2 LEU 126 -1.321 -3.511 10.179 1064 HG LEU 126 HG LEU 126 -4.230 -3.569 10.966 1065 HD11 LEU 126 HD11 LEU 126 -2.496 -1.192 10.327 1066 HD12 LEU 126 HD12 LEU 126 -3.118 -1.615 11.923 1067 HD13 LEU 126 HD13 LEU 126 -4.234 -1.174 10.631 1068 HD21 LEU 126 HD21 LEU 126 -2.830 -2.804 8.409 1069 HD22 LEU 126 HD22 LEU 126 -4.562 -2.667 8.714 1070 HD23 LEU 126 HD23 LEU 126 -3.797 -4.255 8.678 1071 H ILE 127 H ILE 127 -0.732 -6.934 9.308 1072 HA ILE 127 HA ILE 127 1.006 -7.611 11.588 1073 HB ILE 127 HB ILE 127 1.560 -9.663 10.369 1074 HG12 ILE 127 HG13 ILE 127 -0.406 -8.661 8.292 1075 HG13 ILE 127 HG12 ILE 127 1.336 -8.788 8.080 1076 HG21 ILE 127 HG21 ILE 127 -0.351 -9.701 11.885 1077 HG22 ILE 127 HG22 ILE 127 -0.614 -10.783 10.517 1078 HG23 ILE 127 HG23 ILE 127 -1.417 -9.214 10.566 1079 HD11 ILE 127 HD11 ILE 127 0.182 -10.616 6.987 1080 HD12 ILE 127 HD12 ILE 127 -0.558 -11.083 8.518 1081 HD13 ILE 127 HD13 ILE 127 1.188 -11.211 8.307 1082 H ARG 128 H ARG 128 3.277 -8.416 10.574 1083 HA ARG 128 HA ARG 128 4.188 -6.205 8.887 1084 HB2 ARG 128 HB3 ARG 128 5.632 -8.192 10.615 1085 HB3 ARG 128 HB2 ARG 128 6.488 -7.257 9.397 1086 HG2 ARG 128 HG3 ARG 128 5.622 -5.187 10.489 1087 HG3 ARG 128 HG2 ARG 128 4.982 -6.207 11.779 1088 HD2 ARG 128 HD3 ARG 128 7.166 -6.952 12.374 1089 HD3 ARG 128 HD2 ARG 128 7.876 -6.198 10.948 1090 HE ARG 128 HE ARG 128 6.572 -4.502 12.953 1091 HH11 ARG 128 HH11 ARG 128 9.499 -5.601 11.380 1092 HH12 ARG 128 HH12 ARG 128 10.469 -4.293 11.985 1093 HH21 ARG 128 HH22 ARG 128 7.826 -2.772 13.723 1094 HH22 ARG 128 HH21 ARG 128 9.509 -2.666 13.301 1095 H ILE 129 H ILE 129 4.342 -6.464 6.802 1096 HA ILE 129 HA ILE 129 4.810 -9.169 5.724 1097 HB ILE 129 HB ILE 129 3.142 -6.929 4.571 1098 HG12 ILE 129 HG13 ILE 129 2.435 -9.741 5.433 1099 HG13 ILE 129 HG12 ILE 129 2.031 -8.266 6.304 1100 HG21 ILE 129 HG21 ILE 129 4.412 -7.981 2.786 1101 HG22 ILE 129 HG22 ILE 129 2.707 -8.415 2.670 1102 HG23 ILE 129 HG23 ILE 129 3.868 -9.574 3.317 1103 HD11 ILE 129 HD11 ILE 129 1.022 -9.041 3.575 1104 HD12 ILE 129 HD12 ILE 129 0.609 -7.565 4.446 1105 HD13 ILE 129 HD13 ILE 129 0.119 -9.132 5.087 1106 H ASN 130 H ASN 130 6.467 -9.401 4.288 1107 HA ASN 130 HA ASN 130 7.861 -6.937 3.473 1108 HB2 ASN 130 HB3 ASN 130 9.992 -7.903 3.936 1109 HB3 ASN 130 HB2 ASN 130 8.999 -8.158 5.365 1110 HD21 ASN 130 HD22 ASN 130 10.687 -9.643 2.754 1111 HD22 ASN 130 HD21 ASN 130 10.473 -11.281 3.266 1112 H ASP 131 H ASP 131 8.956 -6.951 1.558 1113 HA ASP 131 HA ASP 131 9.643 -7.493 -0.516 1114 HB2 ASP 131 HB3 ASP 131 10.607 -9.486 0.659 1115 HB3 ASP 131 HB2 ASP 131 9.168 -10.386 0.187 1116 H LYS 132 H LYS 132 7.208 -10.033 -0.005 1117 HA LYS 132 HA LYS 132 5.702 -8.919 -2.283 1118 HB2 LYS 132 HB3 LYS 132 6.128 -11.830 -1.567 1119 HB3 LYS 132 HB2 LYS 132 5.041 -11.258 -2.824 1120 HG2 LYS 132 HG3 LYS 132 6.762 -10.681 -4.235 1121 HG3 LYS 132 HG2 LYS 132 7.920 -10.494 -2.915 1122 HD2 LYS 132 HD3 LYS 132 7.884 -12.935 -2.571 1123 HD3 LYS 132 HD2 LYS 132 6.780 -13.096 -3.939 1124 HE2 LYS 132 HE3 LYS 132 8.412 -12.441 -5.478 1125 HE3 LYS 132 HE2 LYS 132 9.436 -11.737 -4.228 1126 HZ1 LYS 132 HZ1 LYS 132 8.884 -14.641 -4.531 1127 HZ2 LYS 132 HZ2 LYS 132 9.929 -13.923 -3.405 1128 HZ3 LYS 132 HZ3 LYS 132 10.294 -13.860 -5.059 1129 H GLY 133 H GLY 133 4.971 -11.648 -0.195 1130 HA2 GLY 133 HA3 GLY 133 3.071 -10.054 1.355 1131 HA3 GLY 133 HA2 GLY 133 2.457 -11.455 0.477 1132 H GLU 134 H GLU 134 5.540 -11.010 2.118 1133 HA GLU 134 HA GLU 134 5.256 -13.681 3.209 1134 HB2 GLU 134 HB3 GLU 134 7.607 -11.815 3.513 1135 HB3 GLU 134 HB2 GLU 134 7.594 -13.567 3.669 1136 HG2 GLU 134 HG3 GLU 134 7.197 -11.984 1.141 1137 HG3 GLU 134 HG2 GLU 134 8.614 -12.934 1.582 1138 H GLN 135 H GLN 135 5.622 -14.182 5.433 1139 HA GLN 135 HA GLN 135 4.339 -12.202 7.143 1140 HB2 GLN 135 HB3 GLN 135 3.369 -14.420 7.133 1141 HB3 GLN 135 HB2 GLN 135 4.919 -15.142 7.534 1142 HG2 GLN 135 HG3 GLN 135 3.543 -15.114 9.487 1143 HG3 GLN 135 HG2 GLN 135 4.864 -13.970 9.707 1144 HE21 GLN 135 HE22 GLN 135 4.418 -11.774 9.786 1145 HE22 GLN 135 HE21 GLN 135 2.812 -11.162 9.964 1146 H VAL 136 H VAL 136 5.677 -10.822 8.116 1147 HA VAL 136 HA VAL 136 8.212 -11.764 9.222 1148 HB VAL 136 HB VAL 136 6.984 -9.016 9.514 1149 HG11 VAL 136 HG11 VAL 136 9.828 -9.984 9.786 1150 HG12 VAL 136 HG12 VAL 136 8.755 -9.518 11.105 1151 HG13 VAL 136 HG13 VAL 136 9.292 -8.311 9.936 1152 HG21 VAL 136 HG21 VAL 136 7.204 -9.492 7.148 1153 HG22 VAL 136 HG22 VAL 136 8.879 -9.995 7.383 1154 HG23 VAL 136 HG23 VAL 136 8.416 -8.314 7.648 1155 H VAL 137 H VAL 137 8.323 -12.545 11.226 1156 HA VAL 137 HA VAL 137 6.057 -12.042 13.032 1157 HB VAL 137 HB VAL 137 6.772 -14.077 14.242 1158 HG11 VAL 137 HG11 VAL 137 6.042 -15.692 12.549 1159 HG12 VAL 137 HG12 VAL 137 6.291 -14.481 11.293 1160 HG13 VAL 137 HG13 VAL 137 5.054 -14.232 12.525 1161 HG21 VAL 137 HG21 VAL 137 8.750 -14.387 11.983 1162 HG22 VAL 137 HG22 VAL 137 8.414 -15.585 13.234 1163 HG23 VAL 137 HG23 VAL 137 9.146 -14.040 13.667 1164 H GLY 138 H GLY 138 6.840 -12.354 15.447 1165 HA2 GLY 138 HA3 GLY 138 8.683 -10.208 15.949 1166 HA3 GLY 138 HA2 GLY 138 7.869 -11.191 17.158 1167 H GLY 139 H GLY 139 10.143 -11.987 14.551 1168 HA2 GLY 139 HA3 GLY 139 12.212 -12.654 16.472 1169 HA3 GLY 139 HA2 GLY 139 11.533 -14.019 15.596 1170 H ASN 140 H ASN 140 11.629 -10.999 13.968 1171 HA ASN 140 HA ASN 140 13.929 -11.939 12.383 1172 HB2 ASN 140 HB3 ASN 140 11.614 -10.192 11.509 1173 HB3 ASN 140 HB2 ASN 140 12.992 -10.623 10.503 1174 HD21 ASN 140 HD22 ASN 140 13.219 -12.780 9.810 1175 HD22 ASN 140 HD21 ASN 140 11.858 -13.849 9.764 1176 H GLU 141 H GLU 141 12.220 -8.928 13.236 1177 HA GLU 141 HA GLU 141 14.681 -7.803 14.261 1178 HB2 GLU 141 HB3 GLU 141 14.696 -7.267 11.799 1179 HB3 GLU 141 HB2 GLU 141 13.212 -6.356 12.047 1180 HG2 GLU 141 HG3 GLU 141 14.468 -4.980 13.733 1181 HG3 GLU 141 HG2 GLU 141 15.934 -5.785 13.179 Start of MODEL 8 1 H MET 1 H MET 1 14.206 35.962 16.208 2 HA MET 1 HA MET 1 14.087 33.605 16.737 3 HB2 MET 1 HB3 MET 1 15.449 35.335 18.813 4 HB3 MET 1 HB2 MET 1 15.768 33.622 18.581 5 HG2 MET 1 HG3 MET 1 16.517 34.085 16.292 6 HG3 MET 1 HG2 MET 1 16.231 35.803 16.562 7 HE1 MET 1 HE1 MET 1 19.450 33.314 18.740 8 HE2 MET 1 HE2 MET 1 18.402 32.681 17.471 9 HE3 MET 1 HE3 MET 1 17.724 33.111 19.041 10 H ARG 2 H ARG 2 14.024 32.081 18.646 11 HA ARG 2 HA ARG 2 11.992 32.839 20.623 12 HB2 ARG 2 HB3 ARG 2 11.863 30.405 18.827 13 HB3 ARG 2 HB2 ARG 2 10.869 30.619 20.260 14 HG2 ARG 2 HG3 ARG 2 9.824 32.572 19.278 15 HG3 ARG 2 HG2 ARG 2 10.868 32.443 17.863 16 HD2 ARG 2 HD3 ARG 2 8.657 31.534 17.398 17 HD3 ARG 2 HD2 ARG 2 9.882 30.270 17.332 18 HE ARG 2 HE ARG 2 9.077 29.466 19.456 19 HH11 ARG 2 HH11 ARG 2 7.096 31.911 17.934 20 HH12 ARG 2 HH12 ARG 2 5.644 31.445 18.771 21 HH21 ARG 2 HH22 ARG 2 7.160 28.807 20.539 22 HH22 ARG 2 HH21 ARG 2 5.677 29.676 20.249 23 H GLU 3 H GLU 3 11.768 30.951 22.260 24 HA GLU 3 HA GLU 3 14.432 30.154 23.096 25 HB2 GLU 3 HB3 GLU 3 12.849 30.968 24.779 26 HB3 GLU 3 HB2 GLU 3 11.710 29.701 24.344 27 HG2 GLU 3 HG3 GLU 3 13.494 28.045 25.026 28 HG3 GLU 3 HG2 GLU 3 14.363 29.415 25.719 29 H ASP 4 H ASP 4 11.562 28.835 21.676 30 HA ASP 4 HA ASP 4 12.150 26.084 22.058 31 HB2 ASP 4 HB3 ASP 4 9.911 27.283 21.388 32 HB3 ASP 4 HB2 ASP 4 10.519 27.087 19.748 33 H LYS 5 H LYS 5 12.640 24.577 20.302 34 HA LYS 5 HA LYS 5 14.777 25.670 18.617 35 HB2 LYS 5 HB3 LYS 5 14.209 22.819 19.448 36 HB3 LYS 5 HB2 LYS 5 15.590 23.350 18.497 37 HG2 LYS 5 HG3 LYS 5 16.448 24.613 20.344 38 HG3 LYS 5 HG2 LYS 5 15.000 24.286 21.294 39 HD2 LYS 5 HD3 LYS 5 15.539 21.889 21.258 40 HD3 LYS 5 HD2 LYS 5 17.007 22.246 20.344 41 HE2 LYS 5 HE3 LYS 5 17.435 21.940 22.755 42 HE3 LYS 5 HE2 LYS 5 17.884 23.544 22.177 43 HZ1 LYS 5 HZ1 LYS 5 15.982 24.489 23.171 44 HZ2 LYS 5 HZ2 LYS 5 16.648 23.464 24.344 45 HZ3 LYS 5 HZ3 LYS 5 15.275 22.980 23.470 46 H ILE 6 H ILE 6 11.657 24.208 18.538 47 HA ILE 6 HA ILE 6 11.413 24.606 15.731 48 HB ILE 6 HB ILE 6 12.654 22.582 15.487 49 HG12 ILE 6 HG13 ILE 6 9.703 21.985 15.170 50 HG13 ILE 6 HG12 ILE 6 10.715 22.828 14.002 51 HG21 ILE 6 HG21 ILE 6 10.739 21.302 17.432 52 HG22 ILE 6 HG22 ILE 6 12.429 21.703 17.739 53 HG23 ILE 6 HG23 ILE 6 12.019 20.470 16.546 54 HD11 ILE 6 HD11 ILE 6 12.034 20.810 13.676 55 HD12 ILE 6 HD12 ILE 6 10.325 20.514 13.360 56 HD13 ILE 6 HD13 ILE 6 11.050 19.965 14.871 57 H ALA 7 H ALA 7 9.434 25.382 15.612 58 HA ALA 7 HA ALA 7 7.326 24.549 17.396 59 HB1 ALA 7 HB1 ALA 7 7.222 26.346 14.967 60 HB2 ALA 7 HB2 ALA 7 7.471 26.877 16.629 61 HB3 ALA 7 HB3 ALA 7 5.939 26.141 16.160 62 H ALA 8 H ALA 8 5.784 23.040 16.980 63 HA ALA 8 HA ALA 8 6.305 21.327 14.717 64 HB1 ALA 8 HB1 ALA 8 5.939 20.362 16.928 65 HB2 ALA 8 HB2 ALA 8 4.760 19.773 15.756 66 HB3 ALA 8 HB3 ALA 8 4.295 21.001 16.935 67 H LYS 9 H LYS 9 5.579 23.061 13.186 68 HA LYS 9 HA LYS 9 2.720 22.697 12.639 69 HB2 LYS 9 HB3 LYS 9 4.802 24.414 11.260 70 HB3 LYS 9 HB2 LYS 9 3.136 24.253 10.719 71 HG2 LYS 9 HG3 LYS 9 2.417 25.133 12.947 72 HG3 LYS 9 HG2 LYS 9 4.116 25.467 13.292 73 HD2 LYS 9 HD3 LYS 9 4.232 26.937 11.349 74 HD3 LYS 9 HD2 LYS 9 2.547 26.578 10.964 75 HE2 LYS 9 HE3 LYS 9 1.891 27.531 13.151 76 HE3 LYS 9 HE2 LYS 9 3.575 27.963 13.439 77 HZ1 LYS 9 HZ1 LYS 9 2.416 29.867 12.613 78 HZ2 LYS 9 HZ2 LYS 9 1.815 29.000 11.283 79 HZ3 LYS 9 HZ3 LYS 9 3.474 29.332 11.400 80 H LYS 10 H LYS 10 5.940 21.974 11.551 81 HA LYS 10 HA LYS 10 4.965 20.109 9.525 82 HB2 LYS 10 HB3 LYS 10 7.822 20.670 10.359 83 HB3 LYS 10 HB2 LYS 10 7.284 19.853 8.897 84 HG2 LYS 10 HG3 LYS 10 6.326 21.917 8.063 85 HG3 LYS 10 HG2 LYS 10 6.776 22.746 9.554 86 HD2 LYS 10 HD3 LYS 10 9.164 22.163 9.043 87 HD3 LYS 10 HD2 LYS 10 8.615 21.585 7.467 88 HE2 LYS 10 HE3 LYS 10 8.200 24.378 8.527 89 HE3 LYS 10 HE2 LYS 10 9.485 23.906 7.416 90 HZ1 LYS 10 HZ1 LYS 10 7.884 23.367 5.757 91 HZ2 LYS 10 HZ2 LYS 10 7.523 24.918 6.330 92 HZ3 LYS 10 HZ3 LYS 10 6.587 23.590 6.825 93 H LYS 11 H LYS 11 6.836 18.074 9.769 94 HA LYS 11 HA LYS 11 6.602 17.131 12.534 95 HB2 LYS 11 HB3 LYS 11 5.928 15.444 10.110 96 HB3 LYS 11 HB2 LYS 11 5.946 14.888 11.777 97 HG2 LYS 11 HG3 LYS 11 4.150 16.573 12.257 98 HG3 LYS 11 HG2 LYS 11 4.053 16.860 10.520 99 HD2 LYS 11 HD3 LYS 11 3.573 14.440 10.205 100 HD3 LYS 11 HD2 LYS 11 3.540 14.260 11.960 101 HE2 LYS 11 HE3 LYS 11 1.694 15.930 10.259 102 HE3 LYS 11 HE2 LYS 11 1.284 14.476 11.167 103 HZ1 LYS 11 HZ1 LYS 11 1.887 15.733 13.217 104 HZ2 LYS 11 HZ2 LYS 11 0.534 16.352 12.396 105 HZ3 LYS 11 HZ3 LYS 11 2.035 17.128 12.269 106 H LEU 12 H LEU 12 8.005 15.089 12.821 107 HA LEU 12 HA LEU 12 10.644 15.730 12.005 108 HB2 LEU 12 HB3 LEU 12 9.458 13.392 13.471 109 HB3 LEU 12 HB2 LEU 12 11.146 13.397 12.998 110 HG LEU 12 HG LEU 12 11.007 14.090 15.284 111 HD11 LEU 12 HD11 LEU 12 12.674 15.232 13.944 112 HD12 LEU 12 HD12 LEU 12 12.033 16.307 15.188 113 HD13 LEU 12 HD13 LEU 12 11.501 16.478 13.515 114 HD21 LEU 12 HD21 LEU 12 8.689 14.804 15.357 115 HD22 LEU 12 HD22 LEU 12 9.071 16.211 14.366 116 HD23 LEU 12 HD23 LEU 12 9.743 16.067 15.990 117 H HIS 13 H HIS 13 8.173 13.745 10.674 118 HA HIS 13 HA HIS 13 10.043 12.796 8.626 119 HB2 HIS 13 HB3 HIS 13 7.201 11.983 9.276 120 HB3 HIS 13 HB2 HIS 13 8.023 11.475 7.805 121 HD1 HIS 13 HD1 HIS 13 7.140 9.275 9.650 122 HD2 HIS 13 HD2 HIS 13 10.838 11.141 10.005 123 HE1 HIS 13 HE1 HIS 13 8.595 7.659 10.902 124 HE2 HIS 13 HE2 HIS 13 10.885 8.709 10.898 125 H GLN 14 H GLN 14 10.171 13.878 6.786 126 HA GLN 14 HA GLN 14 8.970 16.384 6.519 127 HB2 GLN 14 HB3 GLN 14 11.152 15.666 5.529 128 HB3 GLN 14 HB2 GLN 14 10.253 14.768 4.316 129 HG2 GLN 14 HG3 GLN 14 9.245 16.833 3.516 130 HG3 GLN 14 HG2 GLN 14 10.113 17.742 4.753 131 HE21 GLN 14 HE22 GLN 14 11.183 19.001 3.237 132 HE22 GLN 14 HE21 GLN 14 12.455 18.366 2.248 133 H ASP 15 H ASP 15 8.155 13.287 5.026 134 HA ASP 15 HA ASP 15 5.847 14.525 3.731 135 HB2 ASP 15 HB3 ASP 15 7.335 12.803 2.548 136 HB3 ASP 15 HB2 ASP 15 6.604 11.602 3.610 137 H LYS 16 H LYS 16 3.691 13.782 4.190 138 HA LYS 16 HA LYS 16 3.481 13.474 7.061 139 HB2 LYS 16 HB3 LYS 16 1.376 14.075 4.984 140 HB3 LYS 16 HB2 LYS 16 1.121 14.106 6.726 141 HG2 LYS 16 HG3 LYS 16 2.781 15.893 6.933 142 HG3 LYS 16 HG2 LYS 16 3.016 15.870 5.185 143 HD2 LYS 16 HD3 LYS 16 0.642 16.462 4.886 144 HD3 LYS 16 HD2 LYS 16 0.457 16.541 6.640 145 HE2 LYS 16 HE3 LYS 16 0.767 18.768 5.770 146 HE3 LYS 16 HE2 LYS 16 2.187 18.305 6.707 147 HZ1 LYS 16 HZ1 LYS 16 1.956 18.268 3.742 148 HZ2 LYS 16 HZ2 LYS 16 3.317 17.764 4.618 149 HZ3 LYS 16 HZ3 LYS 16 2.839 19.390 4.661 150 H ARG 17 H ARG 17 1.032 12.429 7.451 151 HA ARG 17 HA ARG 17 1.653 9.702 7.708 152 HB2 ARG 17 HB3 ARG 17 -1.082 10.962 7.945 153 HB3 ARG 17 HB2 ARG 17 -0.526 9.482 8.712 154 HG2 ARG 17 HG3 ARG 17 1.039 11.885 9.350 155 HG3 ARG 17 HG2 ARG 17 -0.627 11.894 9.922 156 HD2 ARG 17 HD3 ARG 17 0.776 10.996 11.645 157 HD3 ARG 17 HD2 ARG 17 -0.219 9.697 10.992 158 HE ARG 17 HE ARG 17 1.806 9.011 9.704 159 HH11 ARG 17 HH11 ARG 17 2.171 10.993 12.580 160 HH12 ARG 17 HH12 ARG 17 3.728 10.338 12.987 161 HH21 ARG 17 HH22 ARG 17 3.827 8.141 10.229 162 HH22 ARG 17 HH21 ARG 17 4.684 8.713 11.640 163 H VAL 18 H VAL 18 0.443 11.346 5.037 164 HA VAL 18 HA VAL 18 -1.423 9.516 3.986 165 HB VAL 18 HB VAL 18 0.366 11.455 2.500 166 HG11 VAL 18 HG11 VAL 18 -0.583 9.740 1.024 167 HG12 VAL 18 HG12 VAL 18 -1.280 11.328 0.706 168 HG13 VAL 18 HG13 VAL 18 -2.198 10.127 1.616 169 HG21 VAL 18 HG21 VAL 18 -2.444 11.759 3.547 170 HG22 VAL 18 HG22 VAL 18 -1.587 12.942 2.556 171 HG23 VAL 18 HG23 VAL 18 -1.004 12.559 4.177 172 H HIS 19 H HIS 19 2.066 9.609 3.969 173 HA HIS 19 HA HIS 19 2.496 7.796 1.834 174 HB2 HIS 19 HB3 HIS 19 4.114 9.358 3.384 175 HB3 HIS 19 HB2 HIS 19 4.457 7.762 4.043 176 HD1 HIS 19 HD1 HIS 19 5.213 9.981 1.251 177 HD2 HIS 19 HD2 HIS 19 5.517 5.911 2.054 178 HE1 HIS 19 HE1 HIS 19 6.779 9.055 -0.496 179 HE2 HIS 19 HE2 HIS 19 6.813 6.563 -0.100 180 H GLU 20 H GLU 20 1.247 7.377 4.941 181 HA GLU 20 HA GLU 20 2.037 4.548 5.066 182 HB2 GLU 20 HB3 GLU 20 0.947 6.290 7.275 183 HB3 GLU 20 HB2 GLU 20 1.623 4.676 7.439 184 HG2 GLU 20 HG3 GLU 20 3.793 5.408 7.103 185 HG3 GLU 20 HG2 GLU 20 3.271 6.898 6.317 186 H LEU 21 H LEU 21 -0.762 6.537 6.121 187 HA LEU 21 HA LEU 21 -2.427 4.251 6.333 188 HB2 LEU 21 HB3 LEU 21 -3.081 7.191 6.365 189 HB3 LEU 21 HB2 LEU 21 -4.305 5.951 6.552 190 HG LEU 21 HG LEU 21 -3.002 5.127 8.565 191 HD11 LEU 21 HD11 LEU 21 -1.513 6.714 9.658 192 HD12 LEU 21 HD12 LEU 21 -1.628 7.791 8.266 193 HD13 LEU 21 HD13 LEU 21 -0.869 6.209 8.095 194 HD21 LEU 21 HD21 LEU 21 -3.919 6.859 10.032 195 HD22 LEU 21 HD22 LEU 21 -5.058 6.402 8.767 196 HD23 LEU 21 HD23 LEU 21 -4.155 7.910 8.635 197 H ALA 22 H ALA 22 -1.690 6.289 3.638 198 HA ALA 22 HA ALA 22 -4.069 5.892 2.170 199 HB1 ALA 22 HB1 ALA 22 -1.310 6.422 1.096 200 HB2 ALA 22 HB2 ALA 22 -2.468 7.646 1.612 201 HB3 ALA 22 HB3 ALA 22 -2.829 6.622 0.223 202 H ARG 23 H ARG 23 -1.466 3.743 2.858 203 HA ARG 23 HA ARG 23 -1.670 2.028 0.612 204 HB2 ARG 23 HB3 ARG 23 -1.085 1.121 3.435 205 HB3 ARG 23 HB2 ARG 23 -0.575 0.358 1.937 206 HG2 ARG 23 HG3 ARG 23 0.368 3.033 2.937 207 HG3 ARG 23 HG2 ARG 23 1.252 1.515 3.082 208 HD2 ARG 23 HD3 ARG 23 1.466 1.348 0.699 209 HD3 ARG 23 HD2 ARG 23 0.408 2.741 0.461 210 HE ARG 23 HE ARG 23 2.253 3.938 1.825 211 HH11 ARG 23 HH11 ARG 23 2.816 1.398 -0.539 212 HH12 ARG 23 HH12 ARG 23 4.397 1.982 -0.954 213 HH21 ARG 23 HH22 ARG 23 4.317 4.673 1.257 214 HH22 ARG 23 HH21 ARG 23 5.254 3.823 0.055 215 H VAL 24 H VAL 24 -3.259 2.064 3.758 216 HA VAL 24 HA VAL 24 -5.003 -0.125 3.255 217 HB VAL 24 HB VAL 24 -5.270 2.128 5.262 218 HG11 VAL 24 HG11 VAL 24 -7.394 0.999 4.912 219 HG12 VAL 24 HG12 VAL 24 -6.732 0.589 6.495 220 HG13 VAL 24 HG13 VAL 24 -6.623 -0.567 5.167 221 HG21 VAL 24 HG21 VAL 24 -4.086 -0.628 5.562 222 HG22 VAL 24 HG22 VAL 24 -4.312 0.540 6.863 223 HG23 VAL 24 HG23 VAL 24 -3.193 0.893 5.547 224 H LYS 25 H LYS 25 -5.200 3.360 2.836 225 HA LYS 25 HA LYS 25 -7.941 3.558 2.276 226 HB2 LYS 25 HB3 LYS 25 -6.375 5.482 2.701 227 HB3 LYS 25 HB2 LYS 25 -5.764 5.266 1.065 228 HG2 LYS 25 HG3 LYS 25 -8.103 5.595 0.243 229 HG3 LYS 25 HG2 LYS 25 -8.548 6.035 1.892 230 HD2 LYS 25 HD3 LYS 25 -6.875 7.848 1.826 231 HD3 LYS 25 HD2 LYS 25 -6.524 7.432 0.148 232 HE2 LYS 25 HE3 LYS 25 -8.971 7.800 -0.329 233 HE3 LYS 25 HE2 LYS 25 -9.102 8.473 1.293 234 HZ1 LYS 25 HZ1 LYS 25 -8.797 10.240 -0.261 235 HZ2 LYS 25 HZ2 LYS 25 -7.424 9.498 -0.929 236 HZ3 LYS 25 HZ3 LYS 25 -7.375 10.099 0.656 237 H PHE 26 H PHE 26 -5.163 2.945 0.159 238 HA PHE 26 HA PHE 26 -6.559 2.901 -2.272 239 HB2 PHE 26 HB3 PHE 26 -4.103 2.929 -2.152 240 HB3 PHE 26 HB2 PHE 26 -4.113 1.302 -1.476 241 HD1 PHE 26 HD2 PHE 26 -4.906 3.280 -4.496 242 HD2 PHE 26 HD1 PHE 26 -4.253 -0.591 -2.856 243 HE1 PHE 26 HE2 PHE 26 -4.860 2.329 -6.768 244 HE2 PHE 26 HE1 PHE 26 -4.209 -1.547 -5.118 245 HZ PHE 26 HZ PHE 26 -4.517 -0.096 -7.080 246 H MET 27 H MET 27 -5.759 0.265 -0.027 247 HA MET 27 HA MET 27 -7.065 -1.845 -1.297 248 HB2 MET 27 HB3 MET 27 -6.784 -1.276 1.658 249 HB3 MET 27 HB2 MET 27 -7.299 -2.816 0.985 250 HG2 MET 27 HG3 MET 27 -5.163 -3.097 -0.101 251 HG3 MET 27 HG2 MET 27 -4.646 -1.504 0.448 252 HE1 MET 27 HE1 MET 27 -2.439 -3.996 2.558 253 HE2 MET 27 HE2 MET 27 -2.426 -2.672 1.393 254 HE3 MET 27 HE3 MET 27 -3.006 -4.266 0.909 255 H GLN 28 H GLN 28 -8.344 0.488 1.047 256 HA GLN 28 HA GLN 28 -10.935 -0.553 1.222 257 HB2 GLN 28 HB3 GLN 28 -9.948 1.071 2.812 258 HB3 GLN 28 HB2 GLN 28 -10.052 2.318 1.580 259 HG2 GLN 28 HG3 GLN 28 -12.524 0.863 2.370 260 HG3 GLN 28 HG2 GLN 28 -11.871 2.090 3.451 261 HE21 GLN 28 HE22 GLN 28 -14.367 1.997 1.917 262 HE22 GLN 28 HE21 GLN 28 -14.369 3.427 0.943 263 H ASP 29 H ASP 29 -9.702 2.121 -0.779 264 HA ASP 29 HA ASP 29 -12.194 2.776 -1.904 265 HB2 ASP 29 HB3 ASP 29 -10.194 4.267 -1.887 266 HB3 ASP 29 HB2 ASP 29 -9.473 3.250 -3.130 267 H VAL 30 H VAL 30 -9.613 0.636 -3.047 268 HA VAL 30 HA VAL 30 -10.695 0.197 -5.616 269 HB VAL 30 HB VAL 30 -8.772 -1.437 -3.963 270 HG11 VAL 30 HG11 VAL 30 -9.915 -2.935 -5.517 271 HG12 VAL 30 HG12 VAL 30 -8.239 -2.675 -6.004 272 HG13 VAL 30 HG13 VAL 30 -9.544 -1.844 -6.851 273 HG21 VAL 30 HG21 VAL 30 -7.118 -0.540 -5.523 274 HG22 VAL 30 HG22 VAL 30 -7.978 0.751 -4.687 275 HG23 VAL 30 HG23 VAL 30 -8.389 0.357 -6.357 276 H VAL 31 H VAL 31 -11.176 -1.500 -2.545 277 HA VAL 31 HA VAL 31 -12.816 -3.517 -3.844 278 HB VAL 31 HB VAL 31 -13.033 -4.556 -1.655 279 HG11 VAL 31 HG11 VAL 31 -10.207 -3.699 -2.259 280 HG12 VAL 31 HG12 VAL 31 -11.059 -5.072 -2.964 281 HG13 VAL 31 HG13 VAL 31 -10.667 -5.066 -1.244 282 HG21 VAL 31 HG21 VAL 31 -11.910 -3.632 0.315 283 HG22 VAL 31 HG22 VAL 31 -13.171 -2.550 -0.276 284 HG23 VAL 31 HG23 VAL 31 -11.477 -2.192 -0.608 285 H ASN 32 H ASN 32 -13.277 -0.449 -2.573 286 HA ASN 32 HA ASN 32 -16.064 -0.911 -1.848 287 HB2 ASN 32 HB3 ASN 32 -14.807 0.592 -0.412 288 HB3 ASN 32 HB2 ASN 32 -14.357 1.587 -1.792 289 HD21 ASN 32 HD22 ASN 32 -16.949 0.664 0.362 290 HD22 ASN 32 HD21 ASN 32 -17.985 1.998 -0.021 291 H SER 33 H SER 33 -14.114 0.575 -4.353 292 HA SER 33 HA SER 33 -16.434 1.477 -5.831 293 HB2 SER 33 HB3 SER 33 -14.748 2.122 -7.557 294 HB3 SER 33 HB2 SER 33 -14.412 2.822 -5.974 295 HG SER 33 HG SER 33 -12.741 1.462 -5.693 296 H ASP 34 H ASP 34 -16.600 0.768 -8.188 297 HA ASP 34 HA ASP 34 -16.986 -2.051 -8.191 298 HB2 ASP 34 HB3 ASP 34 -17.600 0.175 -9.994 299 HB3 ASP 34 HB2 ASP 34 -17.273 -1.350 -10.816 300 H THR 35 H THR 35 -14.205 -0.390 -8.513 301 HA THR 35 HA THR 35 -12.755 -1.573 -10.544 302 HB THR 35 HB THR 35 -11.712 -1.137 -7.735 303 HG1 THR 35 HG1 THR 35 -12.312 0.874 -8.087 304 HG21 THR 35 HG21 THR 35 -9.600 -0.648 -8.887 305 HG22 THR 35 HG22 THR 35 -10.368 -0.988 -10.439 306 HG23 THR 35 HG23 THR 35 -10.167 -2.278 -9.252 307 H PHE 36 H PHE 36 -13.214 -2.749 -7.203 308 HA PHE 36 HA PHE 36 -13.136 -5.480 -8.233 309 HB2 PHE 36 HB3 PHE 36 -11.270 -4.341 -6.192 310 HB3 PHE 36 HB2 PHE 36 -11.771 -6.025 -6.057 311 HD1 PHE 36 HD1 PHE 36 -11.368 -7.556 -8.022 312 HD2 PHE 36 HD2 PHE 36 -9.585 -3.707 -7.695 313 HE1 PHE 36 HE1 PHE 36 -9.665 -8.209 -9.670 314 HE2 PHE 36 HE2 PHE 36 -7.880 -4.353 -9.343 315 HZ PHE 36 HZ PHE 36 -7.916 -6.607 -10.334 316 H LYS 37 H LYS 37 -15.149 -3.529 -7.035 317 HA LYS 37 HA LYS 37 -16.062 -4.874 -4.676 318 HB2 LYS 37 HB3 LYS 37 -16.624 -2.491 -5.142 319 HB3 LYS 37 HB2 LYS 37 -17.620 -3.022 -6.489 320 HG2 LYS 37 HG3 LYS 37 -19.120 -4.167 -5.008 321 HG3 LYS 37 HG2 LYS 37 -18.064 -3.854 -3.631 322 HD2 LYS 37 HD3 LYS 37 -19.969 -2.325 -3.656 323 HD3 LYS 37 HD2 LYS 37 -18.449 -1.458 -3.865 324 HE2 LYS 37 HE3 LYS 37 -20.084 -0.565 -5.383 325 HE3 LYS 37 HE2 LYS 37 -18.852 -1.426 -6.304 326 HZ1 LYS 37 HZ1 LYS 37 -21.131 -1.886 -7.062 327 HZ2 LYS 37 HZ2 LYS 37 -21.493 -2.558 -5.550 328 HZ3 LYS 37 HZ3 LYS 37 -20.334 -3.288 -6.543 329 H GLY 38 H GLY 38 -15.668 -6.869 -5.838 330 HA2 GLY 38 HA3 GLY 38 -18.149 -8.155 -6.445 331 HA3 GLY 38 HA2 GLY 38 -17.113 -8.019 -7.866 332 H GLN 39 H GLN 39 -14.648 -8.180 -6.504 333 HA GLN 39 HA GLN 39 -14.468 -10.985 -5.846 334 HB2 GLN 39 HB3 GLN 39 -12.378 -8.791 -5.835 335 HB3 GLN 39 HB2 GLN 39 -12.048 -10.504 -5.607 336 HG2 GLN 39 HG3 GLN 39 -13.256 -9.294 -8.085 337 HG3 GLN 39 HG2 GLN 39 -11.557 -9.723 -7.887 338 HE21 GLN 39 HE22 GLN 39 -10.949 -11.857 -7.911 339 HE22 GLN 39 HE21 GLN 39 -12.011 -13.131 -8.411 340 HA PRO 40 HA PRO 40 -15.517 -10.192 -1.630 341 HB2 PRO 40 HB2 PRO 40 -14.281 -12.826 -1.111 342 HB3 PRO 40 HB3 PRO 40 -15.933 -12.277 -0.813 343 HG2 PRO 40 HG3 PRO 40 -15.370 -13.985 -2.798 344 HG3 PRO 40 HG2 PRO 40 -16.620 -12.738 -2.973 345 HD2 PRO 40 HD3 PRO 40 -13.825 -12.787 -4.040 346 HD3 PRO 40 HD2 PRO 40 -15.319 -12.213 -4.813 347 H ILE 41 H ILE 41 -12.591 -12.214 -1.583 348 HA ILE 41 HA ILE 41 -11.234 -10.119 -0.021 349 HB ILE 41 HB ILE 41 -11.120 -13.092 0.557 350 HG12 ILE 41 HG13 ILE 41 -13.289 -12.178 1.194 351 HG13 ILE 41 HG12 ILE 41 -12.336 -12.543 2.629 352 HG21 ILE 41 HG21 ILE 41 -9.904 -12.444 2.579 353 HG22 ILE 41 HG22 ILE 41 -9.944 -10.758 2.062 354 HG23 ILE 41 HG23 ILE 41 -9.047 -11.949 1.120 355 HD11 ILE 41 HD11 ILE 41 -13.534 -10.433 2.843 356 HD12 ILE 41 HD12 ILE 41 -12.706 -9.815 1.416 357 HD13 ILE 41 HD13 ILE 41 -11.787 -10.187 2.874 358 H PHE 42 H PHE 42 -8.853 -10.314 -0.080 359 HA PHE 42 HA PHE 42 -8.015 -11.396 -2.678 360 HB2 PHE 42 HB3 PHE 42 -7.125 -8.955 -1.160 361 HB3 PHE 42 HB2 PHE 42 -6.171 -9.629 -2.477 362 HD1 PHE 42 HD2 PHE 42 -9.396 -8.075 -1.606 363 HD2 PHE 42 HD1 PHE 42 -6.803 -9.338 -4.736 364 HE1 PHE 42 HE2 PHE 42 -10.779 -6.865 -3.238 365 HE2 PHE 42 HE1 PHE 42 -8.186 -8.130 -6.372 366 HZ PHE 42 HZ PHE 42 -10.177 -6.891 -5.623 367 H ASP 43 H ASP 43 -5.330 -11.212 -2.475 368 HA ASP 43 HA ASP 43 -4.617 -13.081 -0.331 369 HB2 ASP 43 HB3 ASP 43 -3.319 -14.367 -2.092 370 HB3 ASP 43 HB2 ASP 43 -5.073 -14.500 -2.193 371 H HIS 44 H HIS 44 -2.009 -13.597 -1.176 372 HA HIS 44 HA HIS 44 -0.804 -11.088 -0.324 373 HB2 HIS 44 HB3 HIS 44 0.188 -13.924 -0.462 374 HB3 HIS 44 HB2 HIS 44 1.297 -12.583 -0.200 375 HD1 HIS 44 HD1 HIS 44 1.910 -12.932 2.204 376 HD2 HIS 44 HD2 HIS 44 -2.204 -12.994 1.587 377 HE1 HIS 44 HE1 HIS 44 0.877 -12.975 4.500 378 HE2 HIS 44 HE2 HIS 44 -1.617 -12.911 4.106 379 H ALA 45 H ALA 45 -1.001 -13.066 -3.171 380 HA ALA 45 HA ALA 45 1.169 -11.872 -4.585 381 HB1 ALA 45 HB1 ALA 45 0.153 -13.998 -5.286 382 HB2 ALA 45 HB2 ALA 45 0.125 -12.807 -6.586 383 HB3 ALA 45 HB3 ALA 45 -1.344 -13.149 -5.670 384 H HIS 46 H HIS 46 -2.300 -11.215 -4.416 385 HA HIS 46 HA HIS 46 -2.105 -8.851 -6.011 386 HB2 HIS 46 HB3 HIS 46 -4.265 -9.892 -4.173 387 HB3 HIS 46 HB2 HIS 46 -4.421 -8.391 -5.086 388 HD1 HIS 46 HD1 HIS 46 -4.649 -12.078 -5.433 389 HD2 HIS 46 HD2 HIS 46 -4.517 -8.747 -7.925 390 HE1 HIS 46 HE1 HIS 46 -5.397 -12.884 -7.691 391 HE2 HIS 46 HE2 HIS 46 -5.019 -10.925 -9.227 392 H THR 47 H THR 47 -1.362 -9.599 -2.772 393 HA THR 47 HA THR 47 -1.478 -6.987 -1.665 394 HB THR 47 HB THR 47 0.279 -9.347 -0.956 395 HG1 THR 47 HG1 THR 47 -2.121 -9.345 -0.586 396 HG21 THR 47 HG21 THR 47 1.418 -7.341 -0.238 397 HG22 THR 47 HG22 THR 47 0.724 -8.150 1.169 398 HG23 THR 47 HG23 THR 47 -0.064 -6.722 0.498 399 H ARG 48 H ARG 48 1.355 -8.852 -2.844 400 HA ARG 48 HA ARG 48 3.146 -6.710 -2.862 401 HB2 ARG 48 HB3 ARG 48 4.548 -8.045 -4.326 402 HB3 ARG 48 HB2 ARG 48 3.838 -9.071 -3.091 403 HG2 ARG 48 HG3 ARG 48 2.155 -9.828 -4.723 404 HG3 ARG 48 HG2 ARG 48 2.945 -8.845 -5.956 405 HD2 ARG 48 HD3 ARG 48 3.640 -11.176 -6.114 406 HD3 ARG 48 HD2 ARG 48 4.998 -10.137 -5.678 407 HE ARG 48 HE ARG 48 4.394 -10.899 -3.291 408 HH11 ARG 48 HH11 ARG 48 4.207 -12.881 -6.168 409 HH12 ARG 48 HH12 ARG 48 4.428 -14.373 -5.302 410 HH21 ARG 48 HH22 ARG 48 4.710 -12.834 -2.161 411 HH22 ARG 48 HH21 ARG 48 4.713 -14.349 -3.019 412 H GLU 49 H GLU 49 0.846 -7.793 -5.270 413 HA GLU 49 HA GLU 49 1.560 -6.216 -7.430 414 HB2 GLU 49 HB3 GLU 49 -0.960 -7.445 -6.437 415 HB3 GLU 49 HB2 GLU 49 -1.095 -6.242 -7.719 416 HG2 GLU 49 HG3 GLU 49 0.365 -7.556 -9.134 417 HG3 GLU 49 HG2 GLU 49 0.608 -8.720 -7.830 418 H PHE 50 H PHE 50 -0.882 -5.412 -4.939 419 HA PHE 50 HA PHE 50 -1.159 -2.749 -5.922 420 HB2 PHE 50 HB3 PHE 50 -2.176 -4.130 -3.447 421 HB3 PHE 50 HB2 PHE 50 -2.498 -2.432 -3.779 422 HD1 PHE 50 HD1 PHE 50 -2.770 -2.723 -6.793 423 HD2 PHE 50 HD2 PHE 50 -4.411 -4.925 -3.543 424 HE1 PHE 50 HE1 PHE 50 -4.707 -3.318 -8.181 425 HE2 PHE 50 HE2 PHE 50 -6.351 -5.532 -4.930 426 HZ PHE 50 HZ PHE 50 -6.499 -4.720 -7.253 427 H ILE 51 H ILE 51 0.524 -4.176 -3.152 428 HA ILE 51 HA ILE 51 1.222 -1.773 -1.884 429 HB ILE 51 HB ILE 51 2.413 -4.528 -1.810 430 HG12 ILE 51 HG13 ILE 51 0.325 -4.250 -0.626 431 HG13 ILE 51 HG12 ILE 51 1.624 -4.406 0.554 432 HG21 ILE 51 HG21 ILE 51 4.298 -3.026 -1.531 433 HG22 ILE 51 HG22 ILE 51 3.904 -3.817 -0.004 434 HG23 ILE 51 HG23 ILE 51 3.428 -2.140 -0.276 435 HD11 ILE 51 HD11 ILE 51 0.293 -1.844 -0.295 436 HD12 ILE 51 HD12 ILE 51 1.623 -1.976 0.857 437 HD13 ILE 51 HD13 ILE 51 0.057 -2.698 1.230 438 H GLN 52 H GLN 52 3.101 -3.735 -4.218 439 HA GLN 52 HA GLN 52 5.305 -1.938 -4.120 440 HB2 GLN 52 HB3 GLN 52 5.532 -4.335 -4.695 441 HB3 GLN 52 HB2 GLN 52 4.708 -4.021 -6.218 442 HG2 GLN 52 HG3 GLN 52 6.474 -2.689 -7.016 443 HG3 GLN 52 HG2 GLN 52 7.212 -2.576 -5.420 444 HE21 GLN 52 HE22 GLN 52 8.304 -4.341 -4.577 445 HE22 GLN 52 HE21 GLN 52 8.899 -5.602 -5.610 446 H SER 53 H SER 53 2.463 -2.188 -6.178 447 HA SER 53 HA SER 53 3.314 -0.375 -8.164 448 HB2 SER 53 HB3 SER 53 0.520 -0.936 -7.137 449 HB3 SER 53 HB2 SER 53 0.889 -0.023 -8.601 450 HG SER 53 HG SER 53 1.160 -2.768 -8.077 451 H PHE 54 H PHE 54 1.933 0.082 -4.962 452 HA PHE 54 HA PHE 54 1.529 2.881 -5.181 453 HB2 PHE 54 HB3 PHE 54 0.716 1.132 -3.365 454 HB3 PHE 54 HB2 PHE 54 2.201 1.616 -2.553 455 HD1 PHE 54 HD1 PHE 54 2.544 4.129 -2.138 456 HD2 PHE 54 HD2 PHE 54 -1.208 2.399 -3.155 457 HE1 PHE 54 HE1 PHE 54 1.391 6.098 -1.219 458 HE2 PHE 54 HE2 PHE 54 -2.368 4.364 -2.240 459 HZ PHE 54 HZ PHE 54 -1.067 6.219 -1.269 460 H ILE 55 H ILE 55 4.257 0.862 -4.234 461 HA ILE 55 HA ILE 55 6.000 2.988 -3.477 462 HB ILE 55 HB ILE 55 6.843 0.318 -4.622 463 HG12 ILE 55 HG13 ILE 55 6.167 1.001 -1.750 464 HG13 ILE 55 HG12 ILE 55 5.263 -0.085 -2.799 465 HG21 ILE 55 HG21 ILE 55 8.219 2.202 -2.712 466 HG22 ILE 55 HG22 ILE 55 8.613 1.984 -4.417 467 HG23 ILE 55 HG23 ILE 55 8.852 0.656 -3.280 468 HD11 ILE 55 HD11 ILE 55 7.172 -1.593 -2.888 469 HD12 ILE 55 HD12 ILE 55 6.635 -1.319 -1.230 470 HD13 ILE 55 HD13 ILE 55 8.080 -0.507 -1.835 471 H GLU 56 H GLU 56 5.210 1.373 -6.479 472 HA GLU 56 HA GLU 56 7.315 2.338 -8.075 473 HB2 GLU 56 HB3 GLU 56 5.610 0.452 -8.532 474 HB3 GLU 56 HB2 GLU 56 4.559 1.732 -9.120 475 HG2 GLU 56 HG3 GLU 56 5.691 0.735 -10.973 476 HG3 GLU 56 HG2 GLU 56 6.305 2.372 -10.741 477 H ARG 57 H ARG 57 4.314 3.747 -7.044 478 HA ARG 57 HA ARG 57 3.808 5.762 -8.809 479 HB2 ARG 57 HB3 ARG 57 2.372 5.539 -6.945 480 HB3 ARG 57 HB2 ARG 57 3.689 5.760 -5.799 481 HG2 ARG 57 HG3 ARG 57 3.917 8.104 -6.735 482 HG3 ARG 57 HG2 ARG 57 2.376 7.821 -7.541 483 HD2 ARG 57 HD3 ARG 57 1.204 7.730 -5.545 484 HD3 ARG 57 HD2 ARG 57 2.649 7.356 -4.600 485 HE ARG 57 HE ARG 57 3.322 9.754 -5.339 486 HH11 ARG 57 HH11 ARG 57 0.074 8.696 -4.495 487 HH12 ARG 57 HH12 ARG 57 -0.400 10.261 -3.912 488 HH21 ARG 57 HH22 ARG 57 2.699 11.776 -4.597 489 HH22 ARG 57 HH21 ARG 57 1.093 12.036 -3.979 490 H ASP 58 H ASP 58 6.370 5.741 -6.363 491 HA ASP 58 HA ASP 58 7.118 8.423 -6.456 492 HB2 ASP 58 HB3 ASP 58 7.963 6.737 -4.819 493 HB3 ASP 58 HB2 ASP 58 8.982 6.072 -6.090 494 H ASP 59 H ASP 59 8.139 5.716 -8.477 495 HA ASP 59 HA ASP 59 10.105 7.148 -9.927 496 HB2 ASP 59 HB3 ASP 59 10.095 4.702 -9.861 497 HB3 ASP 59 HB2 ASP 59 8.557 4.674 -10.718 498 H THR 60 H THR 60 6.663 6.809 -10.240 499 HA THR 60 HA THR 60 6.504 7.825 -12.908 500 HB THR 60 HB THR 60 4.311 7.709 -10.833 501 HG1 THR 60 HG1 THR 60 5.630 5.745 -12.292 502 HG21 THR 60 HG21 THR 60 2.827 7.571 -12.772 503 HG22 THR 60 HG22 THR 60 4.214 7.676 -13.855 504 HG23 THR 60 HG23 THR 60 3.790 9.048 -12.833 505 H GLU 61 H GLU 61 6.312 9.195 -9.672 506 HA GLU 61 HA GLU 61 5.750 11.850 -10.603 507 HB2 GLU 61 HB3 GLU 61 6.896 10.893 -7.967 508 HB3 GLU 61 HB2 GLU 61 6.396 12.546 -8.304 509 HG2 GLU 61 HG3 GLU 61 4.100 11.694 -8.741 510 HG3 GLU 61 HG2 GLU 61 4.643 10.103 -8.215 511 H LEU 62 H LEU 62 8.556 9.894 -10.015 512 HA LEU 62 HA LEU 62 10.518 11.924 -10.294 513 HB2 LEU 62 HB3 LEU 62 10.896 9.688 -9.268 514 HB3 LEU 62 HB2 LEU 62 10.754 8.966 -10.857 515 HG LEU 62 HG LEU 62 12.745 10.278 -11.582 516 HD11 LEU 62 HD11 LEU 62 12.625 12.108 -10.010 517 HD12 LEU 62 HD12 LEU 62 14.165 11.266 -9.832 518 HD13 LEU 62 HD13 LEU 62 12.874 11.000 -8.661 519 HD21 LEU 62 HD21 LEU 62 13.128 8.479 -9.193 520 HD22 LEU 62 HD22 LEU 62 14.371 8.905 -10.371 521 HD23 LEU 62 HD23 LEU 62 12.967 7.965 -10.872 522 H ASP 63 H ASP 63 8.630 10.066 -12.549 523 HA ASP 63 HA ASP 63 10.166 10.351 -14.862 524 HB2 ASP 63 HB3 ASP 63 7.205 10.079 -14.430 525 HB3 ASP 63 HB2 ASP 63 7.861 10.318 -16.044 526 H GLU 64 H GLU 64 7.917 12.577 -13.317 527 HA GLU 64 HA GLU 64 7.890 14.555 -15.298 528 HB2 GLU 64 HB3 GLU 64 7.460 14.558 -12.340 529 HB3 GLU 64 HB2 GLU 64 7.621 16.097 -13.173 530 HG2 GLU 64 HG3 GLU 64 5.634 13.976 -13.948 531 HG3 GLU 64 HG2 GLU 64 5.278 15.311 -12.851 532 H LEU 65 H LEU 65 10.209 13.873 -12.729 533 HA LEU 65 HA LEU 65 11.783 16.209 -13.225 534 HB2 LEU 65 HB3 LEU 65 12.464 13.654 -11.767 535 HB3 LEU 65 HB2 LEU 65 13.470 15.091 -11.789 536 HG LEU 65 HG LEU 65 10.709 14.862 -10.588 537 HD11 LEU 65 HD11 LEU 65 12.436 13.778 -9.268 538 HD12 LEU 65 HD12 LEU 65 11.867 15.247 -8.474 539 HD13 LEU 65 HD13 LEU 65 13.415 15.244 -9.321 540 HD21 LEU 65 HD21 LEU 65 12.577 17.228 -10.710 541 HD22 LEU 65 HD22 LEU 65 11.068 17.151 -9.799 542 HD23 LEU 65 HD23 LEU 65 11.040 17.069 -11.561 543 H LYS 66 H LYS 66 11.896 12.843 -14.280 544 HA LYS 66 HA LYS 66 14.290 12.957 -15.775 545 HB2 LYS 66 HB3 LYS 66 11.793 11.388 -16.460 546 HB3 LYS 66 HB2 LYS 66 13.429 11.040 -16.997 547 HG2 LYS 66 HG3 LYS 66 14.085 10.404 -14.784 548 HG3 LYS 66 HG2 LYS 66 12.531 10.933 -14.127 549 HD2 LYS 66 HD3 LYS 66 11.459 9.255 -15.701 550 HD3 LYS 66 HD2 LYS 66 13.080 8.621 -15.976 551 HE2 LYS 66 HE3 LYS 66 13.311 8.019 -13.678 552 HE3 LYS 66 HE2 LYS 66 11.826 8.869 -13.250 553 HZ1 LYS 66 HZ1 LYS 66 10.597 7.287 -14.649 554 HZ2 LYS 66 HZ2 LYS 66 11.413 6.515 -13.372 555 HZ3 LYS 66 HZ3 LYS 66 12.036 6.438 -14.948 556 H LYS 67 H LYS 67 11.005 13.840 -16.411 557 HA LYS 67 HA LYS 67 11.240 14.452 -19.168 558 HB2 LYS 67 HB3 LYS 67 9.143 13.852 -18.203 559 HB3 LYS 67 HB2 LYS 67 9.259 15.120 -17.002 560 HG2 LYS 67 HG3 LYS 67 8.865 16.804 -18.681 561 HG3 LYS 67 HG2 LYS 67 8.879 15.570 -19.953 562 HD2 LYS 67 HD3 LYS 67 6.880 14.649 -19.272 563 HD3 LYS 67 HD2 LYS 67 7.046 15.248 -17.623 564 HE2 LYS 67 HE3 LYS 67 6.708 17.563 -18.575 565 HE3 LYS 67 HE2 LYS 67 6.248 16.772 -20.086 566 HZ1 LYS 67 HZ1 LYS 67 4.352 17.327 -18.593 567 HZ2 LYS 67 HZ2 LYS 67 4.959 16.207 -17.471 568 HZ3 LYS 67 HZ3 LYS 67 4.447 15.685 -19.003 569 H LYS 68 H LYS 68 11.665 16.294 -16.202 570 HA LYS 68 HA LYS 68 11.963 18.823 -17.543 571 HB2 LYS 68 HB3 LYS 68 12.786 18.007 -14.746 572 HB3 LYS 68 HB2 LYS 68 12.739 19.653 -15.357 573 HG2 LYS 68 HG3 LYS 68 10.321 19.492 -15.634 574 HG3 LYS 68 HG2 LYS 68 10.362 17.829 -15.044 575 HD2 LYS 68 HD3 LYS 68 11.410 18.743 -12.931 576 HD3 LYS 68 HD2 LYS 68 11.004 20.352 -13.529 577 HE2 LYS 68 HE3 LYS 68 9.079 18.107 -12.934 578 HE3 LYS 68 HE2 LYS 68 9.295 19.585 -11.998 579 HZ1 LYS 68 HZ1 LYS 68 8.607 20.816 -14.049 580 HZ2 LYS 68 HZ2 LYS 68 7.389 19.875 -13.336 581 HZ3 LYS 68 HZ3 LYS 68 8.174 19.321 -14.731 582 H ARG 69 H ARG 69 13.910 16.101 -17.068 583 HA ARG 69 HA ARG 69 16.469 17.368 -17.019 584 HB2 ARG 69 HB3 ARG 69 15.999 15.075 -16.144 585 HB3 ARG 69 HB2 ARG 69 15.764 14.526 -17.794 586 HG2 ARG 69 HG3 ARG 69 18.337 15.850 -17.167 587 HG3 ARG 69 HG2 ARG 69 18.060 14.249 -16.482 588 HD2 ARG 69 HD3 ARG 69 17.623 13.357 -18.701 589 HD3 ARG 69 HD2 ARG 69 17.826 14.962 -19.402 590 HE ARG 69 HE ARG 69 20.135 14.211 -17.934 591 HH11 ARG 69 HH11 ARG 69 18.439 13.574 -20.935 592 HH12 ARG 69 HH12 ARG 69 19.888 13.157 -21.812 593 HH21 ARG 69 HH22 ARG 69 22.036 13.652 -19.074 594 HH22 ARG 69 HH21 ARG 69 21.929 13.174 -20.745 595 H ARG 70 H ARG 70 14.158 17.051 -19.403 596 HA ARG 70 HA ARG 70 15.739 16.784 -21.735 597 HB2 ARG 70 HB3 ARG 70 13.032 17.937 -21.150 598 HB3 ARG 70 HB2 ARG 70 13.755 18.158 -22.737 599 HG2 ARG 70 HG3 ARG 70 13.262 15.492 -21.426 600 HG3 ARG 70 HG2 ARG 70 12.215 16.242 -22.635 601 HD2 ARG 70 HD3 ARG 70 14.231 16.323 -24.149 602 HD3 ARG 70 HD2 ARG 70 15.055 15.305 -22.971 603 HE ARG 70 HE ARG 70 12.538 14.226 -23.841 604 HH11 ARG 70 HH11 ARG 70 15.952 14.500 -24.548 605 HH12 ARG 70 HH12 ARG 70 15.988 13.098 -25.574 606 HH21 ARG 70 HH22 ARG 70 12.575 12.360 -25.206 607 HH22 ARG 70 HH21 ARG 70 14.078 11.888 -25.950 608 H SER 71 H SER 71 15.815 19.116 -19.412 609 HA SER 71 HA SER 71 16.300 21.418 -21.072 610 HB2 SER 71 HB3 SER 71 16.845 21.031 -18.120 611 HB3 SER 71 HB2 SER 71 16.697 22.566 -18.978 612 HG SER 71 HG SER 71 14.722 20.758 -18.174 613 H ASN 72 H ASN 72 18.509 22.555 -19.746 614 HA ASN 72 HA ASN 72 20.660 21.240 -21.112 615 HB2 ASN 72 HB3 ASN 72 20.610 23.676 -20.983 616 HB3 ASN 72 HB2 ASN 72 20.647 23.611 -19.225 617 HD21 ASN 72 HD22 ASN 72 22.501 24.819 -19.068 618 HD22 ASN 72 HD21 ASN 72 24.059 24.205 -19.532 619 H ARG 73 H ARG 73 19.638 21.651 -17.773 620 HA ARG 73 HA ARG 73 21.412 19.446 -17.042 621 HB2 ARG 73 HB3 ARG 73 21.054 21.946 -15.377 622 HB3 ARG 73 HB2 ARG 73 22.026 20.546 -14.945 623 HG2 ARG 73 HG3 ARG 73 23.460 20.982 -16.911 624 HG3 ARG 73 HG2 ARG 73 22.520 22.440 -17.233 625 HD2 ARG 73 HD3 ARG 73 24.421 23.170 -16.066 626 HD3 ARG 73 HD2 ARG 73 23.117 23.168 -14.880 627 HE ARG 73 HE ARG 73 24.231 20.730 -14.532 628 HH11 ARG 73 HH11 ARG 73 25.571 23.967 -14.670 629 HH12 ARG 73 HH12 ARG 73 26.902 23.596 -13.624 630 HH21 ARG 73 HH22 ARG 73 26.023 20.232 -13.183 631 HH22 ARG 73 HH21 ARG 73 27.180 21.474 -12.800 632 HA PRO 74 HA PRO 74 17.774 17.807 -15.168 633 HB2 PRO 74 HB2 PRO 74 18.884 16.086 -13.401 634 HB3 PRO 74 HB3 PRO 74 18.931 15.812 -15.147 635 HG2 PRO 74 HG3 PRO 74 21.040 16.958 -13.355 636 HG3 PRO 74 HG2 PRO 74 21.205 15.735 -14.629 637 HD2 PRO 74 HD3 PRO 74 21.842 18.327 -15.028 638 HD3 PRO 74 HD2 PRO 74 21.169 17.307 -16.316 639 HA PRO 75 HA PRO 75 16.759 19.752 -11.294 640 HB2 PRO 75 HB2 PRO 75 15.677 17.183 -10.308 641 HB3 PRO 75 HB3 PRO 75 14.860 18.731 -10.545 642 HG2 PRO 75 HG3 PRO 75 14.414 16.676 -12.190 643 HG3 PRO 75 HG2 PRO 75 14.490 18.341 -12.799 644 HD2 PRO 75 HD3 PRO 75 16.567 16.184 -12.915 645 HD3 PRO 75 HD2 PRO 75 16.089 17.357 -14.161 646 H SER 76 H SER 76 18.616 16.872 -11.360 647 HA SER 76 HA SER 76 20.241 15.994 -10.074 648 HB2 SER 76 HB3 SER 76 21.258 18.168 -10.658 649 HB3 SER 76 HB2 SER 76 20.600 18.860 -9.176 650 HG SER 76 HG SER 76 22.410 18.201 -8.329 651 H ASN 77 H ASN 77 19.796 18.452 -7.601 652 HA ASN 77 HA ASN 77 19.783 16.527 -5.545 653 HB2 ASN 77 HB3 ASN 77 20.487 18.898 -5.251 654 HB3 ASN 77 HB2 ASN 77 18.800 19.386 -5.386 655 HD21 ASN 77 HD22 ASN 77 18.543 20.196 -3.369 656 HD22 ASN 77 HD21 ASN 77 18.645 19.243 -1.930 657 H ARG 78 H ARG 78 17.181 18.290 -7.137 658 HA ARG 78 HA ARG 78 15.089 17.480 -5.421 659 HB2 ARG 78 HB3 ARG 78 14.872 18.121 -8.369 660 HB3 ARG 78 HB2 ARG 78 13.585 18.206 -7.174 661 HG2 ARG 78 HG3 ARG 78 16.040 19.952 -7.254 662 HG3 ARG 78 HG2 ARG 78 14.413 20.420 -7.750 663 HD2 ARG 78 HD3 ARG 78 15.186 19.546 -4.970 664 HD3 ARG 78 HD2 ARG 78 15.026 21.222 -5.486 665 HE ARG 78 HE ARG 78 12.647 19.789 -6.047 666 HH11 ARG 78 HH11 ARG 78 14.457 21.208 -3.411 667 HH12 ARG 78 HH12 ARG 78 13.061 21.474 -2.411 668 HH21 ARG 78 HH22 ARG 78 10.805 20.118 -4.752 669 HH22 ARG 78 HH21 ARG 78 10.962 20.832 -3.175 670 H GLN 79 H GLN 79 16.660 15.985 -8.133 671 HA GLN 79 HA GLN 79 14.715 13.905 -8.522 672 HB2 GLN 79 HB3 GLN 79 16.060 14.668 -10.384 673 HB3 GLN 79 HB2 GLN 79 17.543 14.310 -9.518 674 HG2 GLN 79 HG3 GLN 79 17.028 11.926 -9.620 675 HG3 GLN 79 HG2 GLN 79 15.538 12.292 -10.492 676 HE21 GLN 79 HE22 GLN 79 17.897 10.721 -11.290 677 HE22 GLN 79 HE21 GLN 79 18.454 11.446 -12.759 678 H VAL 80 H VAL 80 17.940 14.135 -7.045 679 HA VAL 80 HA VAL 80 18.117 11.437 -6.246 680 HB VAL 80 HB VAL 80 19.413 13.859 -4.975 681 HG11 VAL 80 HG11 VAL 80 21.066 12.269 -4.105 682 HG12 VAL 80 HG12 VAL 80 20.120 10.935 -4.765 683 HG13 VAL 80 HG13 VAL 80 19.450 11.939 -3.480 684 HG21 VAL 80 HG21 VAL 80 19.965 13.645 -7.341 685 HG22 VAL 80 HG22 VAL 80 20.441 11.966 -7.087 686 HG23 VAL 80 HG23 VAL 80 21.363 13.267 -6.335 687 H LEU 81 H LEU 81 16.960 14.332 -4.555 688 HA LEU 81 HA LEU 81 16.431 13.147 -2.075 689 HB2 LEU 81 HB3 LEU 81 16.475 15.579 -2.485 690 HB3 LEU 81 HB2 LEU 81 14.985 15.443 -3.400 691 HG LEU 81 HG LEU 81 13.833 14.662 -1.341 692 HD11 LEU 81 HD11 LEU 81 14.942 14.969 0.818 693 HD12 LEU 81 HD12 LEU 81 16.447 15.362 -0.012 694 HD13 LEU 81 HD13 LEU 81 15.754 13.747 -0.161 695 HD21 LEU 81 HD21 LEU 81 13.769 16.852 -0.253 696 HD22 LEU 81 HD22 LEU 81 13.737 17.003 -2.011 697 HD23 LEU 81 HD23 LEU 81 15.226 17.328 -1.124 698 H LEU 82 H LEU 82 14.411 13.452 -4.967 699 HA LEU 82 HA LEU 82 12.104 12.296 -3.780 700 HB2 LEU 82 HB3 LEU 82 11.900 13.687 -5.753 701 HB3 LEU 82 HB2 LEU 82 12.904 12.584 -6.677 702 HG LEU 82 HG LEU 82 11.187 10.863 -6.534 703 HD11 LEU 82 HD11 LEU 82 8.978 11.365 -5.612 704 HD12 LEU 82 HD12 LEU 82 9.566 12.934 -5.058 705 HD13 LEU 82 HD13 LEU 82 10.227 11.451 -4.369 706 HD21 LEU 82 HD21 LEU 82 11.123 12.418 -8.404 707 HD22 LEU 82 HD22 LEU 82 10.087 13.502 -7.473 708 HD23 LEU 82 HD23 LEU 82 9.500 11.904 -7.939 709 H GLN 83 H GLN 83 14.719 11.008 -5.798 710 HA GLN 83 HA GLN 83 13.851 8.404 -6.139 711 HB2 GLN 83 HB3 GLN 83 15.843 9.301 -7.237 712 HB3 GLN 83 HB2 GLN 83 16.677 9.387 -5.691 713 HG2 GLN 83 HG3 GLN 83 16.469 6.914 -5.515 714 HG3 GLN 83 HG2 GLN 83 15.804 6.904 -7.147 715 HE21 GLN 83 HE22 GLN 83 18.239 5.676 -6.095 716 HE22 GLN 83 HE21 GLN 83 19.542 6.317 -7.045 717 H GLN 84 H GLN 84 15.341 9.899 -3.349 718 HA GLN 84 HA GLN 84 15.976 7.550 -1.931 719 HB2 GLN 84 HB3 GLN 84 15.458 10.358 -0.972 720 HB3 GLN 84 HB2 GLN 84 16.063 9.065 0.056 721 HG2 GLN 84 HG3 GLN 84 18.016 8.836 -1.419 722 HG3 GLN 84 HG2 GLN 84 17.418 10.179 -2.390 723 HE21 GLN 84 HE22 GLN 84 19.906 9.899 -0.919 724 HE22 GLN 84 HE21 GLN 84 19.959 11.230 0.187 725 H ARG 85 H ARG 85 12.965 9.292 -2.287 726 HA ARG 85 HA ARG 85 11.634 8.332 0.001 727 HB2 ARG 85 HB3 ARG 85 10.587 9.084 -2.730 728 HB3 ARG 85 HB2 ARG 85 9.538 8.629 -1.396 729 HG2 ARG 85 HG3 ARG 85 10.422 10.510 -0.085 730 HG3 ARG 85 HG2 ARG 85 11.413 10.980 -1.469 731 HD2 ARG 85 HD3 ARG 85 9.480 11.419 -2.798 732 HD3 ARG 85 HD2 ARG 85 8.415 10.707 -1.586 733 HE ARG 85 HE ARG 85 9.965 12.999 -0.716 734 HH11 ARG 85 HH11 ARG 85 6.938 11.885 -2.098 735 HH12 ARG 85 HH12 ARG 85 6.034 13.238 -1.494 736 HH21 ARG 85 HH22 ARG 85 8.769 14.793 0.046 737 HH22 ARG 85 HH21 ARG 85 7.059 14.884 -0.291 738 H ARG 86 H ARG 86 11.707 7.078 -3.309 739 HA ARG 86 HA ARG 86 10.316 4.682 -2.748 740 HB2 ARG 86 HB3 ARG 86 10.342 5.220 -5.000 741 HB3 ARG 86 HB2 ARG 86 12.041 5.663 -4.984 742 HG2 ARG 86 HG3 ARG 86 11.882 2.905 -4.373 743 HG3 ARG 86 HG2 ARG 86 10.839 3.211 -5.764 744 HD2 ARG 86 HD3 ARG 86 13.634 4.301 -5.624 745 HD3 ARG 86 HD2 ARG 86 13.313 2.669 -6.202 746 HE ARG 86 HE ARG 86 12.384 3.537 -8.129 747 HH11 ARG 86 HH11 ARG 86 13.084 6.137 -5.889 748 HH12 ARG 86 HH12 ARG 86 12.771 7.385 -7.046 749 HH21 ARG 86 HH22 ARG 86 12.074 5.170 -9.674 750 HH22 ARG 86 HH21 ARG 86 12.245 6.831 -9.214 751 H ASP 87 H ASP 87 13.749 5.509 -2.768 752 HA ASP 87 HA ASP 87 14.738 2.880 -2.521 753 HB2 ASP 87 HB3 ASP 87 16.044 4.971 -3.138 754 HB3 ASP 87 HB2 ASP 87 16.071 5.355 -1.420 755 H GLN 88 H GLN 88 13.840 5.321 -0.136 756 HA GLN 88 HA GLN 88 14.567 3.869 2.170 757 HB2 GLN 88 HB3 GLN 88 14.059 6.313 2.095 758 HB3 GLN 88 HB2 GLN 88 12.361 5.922 1.871 759 HG2 GLN 88 HG3 GLN 88 12.351 4.795 4.053 760 HG3 GLN 88 HG2 GLN 88 14.041 5.245 4.276 761 HE21 GLN 88 HE22 GLN 88 11.736 5.951 5.897 762 HE22 GLN 88 HE21 GLN 88 11.658 7.678 5.900 763 H GLU 89 H GLU 89 11.603 3.982 0.246 764 HA GLU 89 HA GLU 89 10.039 2.381 1.965 765 HB2 GLU 89 HB3 GLU 89 9.840 2.959 -0.985 766 HB3 GLU 89 HB2 GLU 89 8.685 1.932 -0.146 767 HG2 GLU 89 HG3 GLU 89 8.202 3.815 1.387 768 HG3 GLU 89 HG2 GLU 89 9.260 4.833 0.410 769 H LEU 90 H LEU 90 12.113 1.541 -0.801 770 HA LEU 90 HA LEU 90 11.561 -1.186 -0.905 771 HB2 LEU 90 HB3 LEU 90 13.841 0.522 -1.690 772 HB3 LEU 90 HB2 LEU 90 14.204 -1.179 -1.486 773 HG LEU 90 HG LEU 90 13.715 -0.669 -3.816 774 HD11 LEU 90 HD11 LEU 90 11.982 -2.347 -4.213 775 HD12 LEU 90 HD12 LEU 90 11.541 -2.292 -2.506 776 HD13 LEU 90 HD13 LEU 90 13.135 -2.874 -2.986 777 HD21 LEU 90 HD21 LEU 90 10.996 0.190 -2.838 778 HD22 LEU 90 HD22 LEU 90 11.492 0.040 -4.524 779 HD23 LEU 90 HD23 LEU 90 12.247 1.251 -3.488 780 H LYS 91 H LYS 91 13.827 0.578 1.159 781 HA LYS 91 HA LYS 91 14.849 -1.719 2.501 782 HB2 LYS 91 HB3 LYS 91 14.749 1.172 3.387 783 HB3 LYS 91 HB2 LYS 91 15.719 -0.089 4.135 784 HG2 LYS 91 HG3 LYS 91 17.089 -0.293 2.203 785 HG3 LYS 91 HG2 LYS 91 16.014 0.743 1.262 786 HD2 LYS 91 HD3 LYS 91 16.560 2.633 2.712 787 HD3 LYS 91 HD2 LYS 91 17.619 1.597 3.672 788 HE2 LYS 91 HE3 LYS 91 17.985 2.093 0.724 789 HE3 LYS 91 HE2 LYS 91 18.783 3.038 1.979 790 HZ1 LYS 91 HZ1 LYS 91 19.909 1.094 2.750 791 HZ2 LYS 91 HZ2 LYS 91 20.158 1.218 1.074 792 HZ3 LYS 91 HZ3 LYS 91 19.046 0.091 1.689 793 H GLU 92 H GLU 92 12.356 0.667 3.277 794 HA GLU 92 HA GLU 92 11.686 -0.206 5.842 795 HB2 GLU 92 HB3 GLU 92 10.986 1.929 4.668 796 HB3 GLU 92 HB2 GLU 92 9.771 0.978 3.830 797 HG2 GLU 92 HG3 GLU 92 8.724 2.073 5.658 798 HG3 GLU 92 HG2 GLU 92 8.825 0.355 6.044 799 H PHE 93 H PHE 93 10.176 -1.003 2.725 800 HA PHE 93 HA PHE 93 8.275 -2.782 3.844 801 HB2 PHE 93 HB3 PHE 93 9.218 -2.265 1.038 802 HB3 PHE 93 HB2 PHE 93 8.057 -3.540 1.394 803 HD1 PHE 93 HD1 PHE 93 8.630 0.112 1.777 804 HD2 PHE 93 HD2 PHE 93 5.798 -3.055 1.581 805 HE1 PHE 93 HE1 PHE 93 6.804 1.756 1.708 806 HE2 PHE 93 HE2 PHE 93 3.966 -1.416 1.510 807 HZ PHE 93 HZ PHE 93 4.468 0.994 1.573 808 H LYS 94 H LYS 94 11.562 -3.222 2.696 809 HA LYS 94 HA LYS 94 11.448 -6.041 2.457 810 HB2 LYS 94 HB3 LYS 94 13.295 -4.699 1.521 811 HB3 LYS 94 HB2 LYS 94 13.836 -4.317 3.151 812 HG2 LYS 94 HG3 LYS 94 14.389 -6.603 3.577 813 HG3 LYS 94 HG2 LYS 94 13.651 -7.117 2.059 814 HD2 LYS 94 HD3 LYS 94 15.340 -5.844 0.816 815 HD3 LYS 94 HD2 LYS 94 16.080 -5.345 2.342 816 HE2 LYS 94 HE3 LYS 94 16.635 -7.624 2.876 817 HE3 LYS 94 HE2 LYS 94 15.747 -8.216 1.474 818 HZ1 LYS 94 HZ1 LYS 94 18.146 -8.170 1.100 819 HZ2 LYS 94 HZ2 LYS 94 18.169 -6.493 1.356 820 HZ3 LYS 94 HZ3 LYS 94 17.331 -7.138 0.030 821 H ALA 95 H ALA 95 11.930 -3.881 5.168 822 HA ALA 95 HA ALA 95 12.562 -6.033 6.997 823 HB1 ALA 95 HB1 ALA 95 13.571 -3.838 7.315 824 HB2 ALA 95 HB2 ALA 95 12.585 -4.284 8.707 825 HB3 ALA 95 HB3 ALA 95 11.973 -3.123 7.529 826 H GLY 96 H GLY 96 9.794 -5.185 5.532 827 HA2 GLY 96 HA3 GLY 96 7.721 -6.207 5.983 828 HA3 GLY 96 HA2 GLY 96 8.199 -6.385 7.665 829 H PHE 97 H PHE 97 6.599 -4.435 5.350 830 HA PHE 97 HA PHE 97 6.438 -2.088 7.043 831 HB2 PHE 97 HB3 PHE 97 6.519 -1.977 4.530 832 HB3 PHE 97 HB2 PHE 97 4.917 -2.706 4.494 833 HD1 PHE 97 HD1 PHE 97 6.776 0.232 5.807 834 HD2 PHE 97 HD2 PHE 97 3.025 -1.364 4.584 835 HE1 PHE 97 HE1 PHE 97 5.769 2.469 5.987 836 HE2 PHE 97 HE2 PHE 97 2.012 0.870 4.763 837 HZ PHE 97 HZ PHE 97 3.384 2.792 5.465 838 H LEU 98 H LEU 98 4.446 -1.282 7.911 839 HA LEU 98 HA LEU 98 2.827 -3.317 9.078 840 HB2 LEU 98 HB3 LEU 98 3.406 -1.168 10.196 841 HB3 LEU 98 HB2 LEU 98 2.377 -0.330 9.050 842 HG LEU 98 HG LEU 98 0.430 -1.613 9.907 843 HD11 LEU 98 HD11 LEU 98 1.633 -3.572 10.725 844 HD12 LEU 98 HD12 LEU 98 0.651 -2.850 11.999 845 HD13 LEU 98 HD13 LEU 98 2.395 -2.590 11.976 846 HD21 LEU 98 HD21 LEU 98 0.908 0.619 10.758 847 HD22 LEU 98 HD22 LEU 98 1.977 -0.063 11.984 848 HD23 LEU 98 HD23 LEU 98 0.247 -0.407 12.030 849 H CYS 99 H CYS 99 1.580 -4.430 7.700 850 HA CYS 99 HA CYS 99 -0.379 -2.905 6.119 851 HB2 CYS 99 HB3 CYS 99 1.028 -5.452 5.282 852 HB3 CYS 99 HB2 CYS 99 -0.248 -4.646 4.375 853 HG CYS 99 HG CYS 99 2.265 -2.590 5.053 854 HA PRO 100 HA PRO 100 -3.299 -5.426 8.260 855 HB2 PRO 100 HB2 PRO 100 -5.443 -5.195 6.642 856 HB3 PRO 100 HB3 PRO 100 -4.853 -3.847 7.620 857 HG2 PRO 100 HG3 PRO 100 -4.437 -4.406 4.712 858 HG3 PRO 100 HG2 PRO 100 -4.773 -2.863 5.519 859 HD2 PRO 100 HD3 PRO 100 -2.276 -3.651 4.718 860 HD3 PRO 100 HD2 PRO 100 -2.574 -2.532 6.063 861 H ASP 101 H ASP 101 -4.249 -7.462 8.249 862 HA ASP 101 HA ASP 101 -3.345 -9.430 6.454 863 HB2 ASP 101 HB3 ASP 101 -4.323 -9.709 8.828 864 HB3 ASP 101 HB2 ASP 101 -5.898 -9.647 8.046 865 H LEU 102 H LEU 102 -3.772 -9.154 4.334 866 HA LEU 102 HA LEU 102 -6.262 -7.989 3.454 867 HB2 LEU 102 HB3 LEU 102 -3.940 -7.530 2.498 868 HB3 LEU 102 HB2 LEU 102 -4.055 -9.100 1.730 869 HG LEU 102 HG LEU 102 -6.145 -8.284 0.584 870 HD11 LEU 102 HD11 LEU 102 -6.666 -6.456 2.120 871 HD12 LEU 102 HD12 LEU 102 -6.499 -5.877 0.462 872 HD13 LEU 102 HD13 LEU 102 -5.196 -5.618 1.621 873 HD21 LEU 102 HD21 LEU 102 -4.930 -7.010 -1.099 874 HD22 LEU 102 HD22 LEU 102 -3.982 -8.393 -0.551 875 HD23 LEU 102 HD23 LEU 102 -3.596 -6.772 0.030 876 H SER 103 H SER 103 -5.462 -11.026 4.358 877 HA SER 103 HA SER 103 -7.088 -12.295 2.259 878 HB2 SER 103 HB3 SER 103 -4.945 -13.512 4.018 879 HB3 SER 103 HB2 SER 103 -5.898 -14.389 2.818 880 HG SER 103 HG SER 103 -5.019 -12.498 1.420 881 H ASP 104 H ASP 104 -7.712 -11.007 5.023 882 HA ASP 104 HA ASP 104 -9.328 -13.271 5.995 883 HB2 ASP 104 HB3 ASP 104 -7.743 -12.404 7.674 884 HB3 ASP 104 HB2 ASP 104 -8.470 -10.805 7.525 885 H ALA 105 H ALA 105 -11.515 -13.017 6.224 886 HA ALA 105 HA ALA 105 -12.657 -11.023 4.511 887 HB1 ALA 105 HB1 ALA 105 -14.038 -13.115 6.189 888 HB2 ALA 105 HB2 ALA 105 -13.474 -13.336 4.532 889 HB3 ALA 105 HB3 ALA 105 -14.760 -12.181 4.880 890 H LYS 106 H LYS 106 -12.394 -11.484 7.962 891 HA LYS 106 HA LYS 106 -14.457 -9.593 8.632 892 HB2 LYS 106 HB3 LYS 106 -12.254 -10.803 10.318 893 HB3 LYS 106 HB2 LYS 106 -13.587 -9.839 10.940 894 HG2 LYS 106 HG3 LYS 106 -15.174 -11.505 10.288 895 HG3 LYS 106 HG2 LYS 106 -13.926 -12.432 9.456 896 HD2 LYS 106 HD3 LYS 106 -12.782 -12.793 11.595 897 HD3 LYS 106 HD2 LYS 106 -14.052 -11.886 12.419 898 HE2 LYS 106 HE3 LYS 106 -14.324 -14.354 12.556 899 HE3 LYS 106 HE2 LYS 106 -15.695 -13.521 11.827 900 HZ1 LYS 106 HZ1 LYS 106 -13.532 -14.756 10.217 901 HZ2 LYS 106 HZ2 LYS 106 -15.054 -14.221 9.687 902 HZ3 LYS 106 HZ3 LYS 106 -14.934 -15.596 10.673 903 H ASN 107 H ASN 107 -10.925 -9.656 8.664 904 HA ASN 107 HA ASN 107 -10.482 -7.061 9.610 905 HB2 ASN 107 HB3 ASN 107 -8.748 -8.864 9.328 906 HB3 ASN 107 HB2 ASN 107 -8.758 -8.521 7.601 907 HD21 ASN 107 HD22 ASN 107 -6.800 -7.664 7.301 908 HD22 ASN 107 HD21 ASN 107 -6.208 -6.253 8.112 909 H MET 108 H MET 108 -10.830 -8.258 6.283 910 HA MET 108 HA MET 108 -10.428 -5.719 5.082 911 HB2 MET 108 HB3 MET 108 -10.036 -7.699 3.769 912 HB3 MET 108 HB2 MET 108 -11.691 -8.243 4.008 913 HG2 MET 108 HG3 MET 108 -12.556 -6.538 2.619 914 HG3 MET 108 HG2 MET 108 -11.016 -5.683 2.591 915 HE1 MET 108 HE1 MET 108 -8.802 -7.948 0.358 916 HE2 MET 108 HE2 MET 108 -8.886 -7.816 2.116 917 HE3 MET 108 HE3 MET 108 -8.955 -6.360 1.113 918 H GLU 109 H GLU 109 -13.157 -7.198 6.588 919 HA GLU 109 HA GLU 109 -15.147 -5.674 5.248 920 HB2 GLU 109 HB3 GLU 109 -15.574 -7.788 6.537 921 HB3 GLU 109 HB2 GLU 109 -15.339 -6.865 8.015 922 HG2 GLU 109 HG3 GLU 109 -17.263 -5.584 7.656 923 HG3 GLU 109 HG2 GLU 109 -17.371 -6.067 5.963 924 H PHE 110 H PHE 110 -13.326 -5.226 8.270 925 HA PHE 110 HA PHE 110 -14.454 -2.677 8.868 926 HB2 PHE 110 HB3 PHE 110 -11.657 -3.595 9.568 927 HB3 PHE 110 HB2 PHE 110 -12.600 -2.352 10.377 928 HD1 PHE 110 HD2 PHE 110 -15.008 -3.338 11.202 929 HD2 PHE 110 HD1 PHE 110 -11.394 -5.525 10.704 930 HE1 PHE 110 HE2 PHE 110 -15.811 -5.019 12.811 931 HE2 PHE 110 HE1 PHE 110 -12.187 -7.212 12.316 932 HZ PHE 110 HZ PHE 110 -14.398 -6.957 13.371 933 H LEU 111 H LEU 111 -11.636 -3.784 7.095 934 HA LEU 111 HA LEU 111 -10.437 -1.356 6.499 935 HB2 LEU 111 HB3 LEU 111 -9.385 -3.529 6.154 936 HB3 LEU 111 HB2 LEU 111 -10.530 -3.907 4.887 937 HG LEU 111 HG LEU 111 -8.802 -1.503 4.522 938 HD11 LEU 111 HD11 LEU 111 -7.248 -3.201 5.338 939 HD12 LEU 111 HD12 LEU 111 -7.005 -2.886 3.620 940 HD13 LEU 111 HD13 LEU 111 -7.858 -4.340 4.138 941 HD21 LEU 111 HD21 LEU 111 -9.744 -3.673 2.649 942 HD22 LEU 111 HD22 LEU 111 -8.919 -2.182 2.197 943 HD23 LEU 111 HD23 LEU 111 -10.544 -2.119 2.884 944 H ARG 112 H ARG 112 -13.021 -3.060 4.751 945 HA ARG 112 HA ARG 112 -13.030 -1.297 2.522 946 HB2 ARG 112 HB3 ARG 112 -14.000 -3.692 2.734 947 HB3 ARG 112 HB2 ARG 112 -15.425 -2.899 3.390 948 HG2 ARG 112 HG3 ARG 112 -15.617 -1.578 1.321 949 HG3 ARG 112 HG2 ARG 112 -14.219 -2.432 0.668 950 HD2 ARG 112 HD3 ARG 112 -16.947 -3.520 1.313 951 HD3 ARG 112 HD2 ARG 112 -16.112 -3.508 -0.239 952 HE ARG 112 HE ARG 112 -15.452 -5.245 2.054 953 HH11 ARG 112 HH11 ARG 112 -15.308 -4.540 -1.382 954 HH12 ARG 112 HH12 ARG 112 -14.641 -6.087 -1.797 955 HH21 ARG 112 HH22 ARG 112 -14.592 -7.285 1.502 956 HH22 ARG 112 HH21 ARG 112 -14.221 -7.656 -0.151 957 H ASN 113 H ASN 113 -14.138 -0.910 5.694 958 HA ASN 113 HA ASN 113 -15.923 1.284 4.863 959 HB2 ASN 113 HB3 ASN 113 -16.072 -0.499 7.300 960 HB3 ASN 113 HB2 ASN 113 -17.001 0.987 7.134 961 HD21 ASN 113 HD22 ASN 113 -16.633 -2.301 6.091 962 HD22 ASN 113 HD21 ASN 113 -18.115 -2.390 5.202 963 H TRP 114 H TRP 114 -12.941 0.880 5.663 964 HA TRP 114 HA TRP 114 -12.509 2.511 7.942 965 HB2 TRP 114 HB3 TRP 114 -10.854 0.898 7.131 966 HB3 TRP 114 HB2 TRP 114 -10.682 1.801 5.633 967 HD1 TRP 114 HD1 TRP 114 -9.975 2.249 9.421 968 HE1 TRP 114 HE1 TRP 114 -7.928 3.807 9.654 969 HE3 TRP 114 HE3 TRP 114 -9.273 3.430 4.498 970 HZ2 TRP 114 HZ2 TRP 114 -6.250 5.313 7.981 971 HZ3 TRP 114 HZ3 TRP 114 -7.424 4.936 3.902 972 HH2 TRP 114 HH2 TRP 114 -5.944 5.858 5.608 973 H ASN 115 H ASN 115 -13.106 4.567 8.032 974 HA ASN 115 HA ASN 115 -13.233 6.190 5.607 975 HB2 ASN 115 HB3 ASN 115 -14.151 6.744 8.438 976 HB3 ASN 115 HB2 ASN 115 -14.377 7.841 7.081 977 HD21 ASN 115 HD22 ASN 115 -16.321 6.544 8.812 978 HD22 ASN 115 HD21 ASN 115 -17.371 5.655 7.766 979 H GLY 116 H GLY 116 -10.638 5.483 6.779 980 HA2 GLY 116 HA3 GLY 116 -8.627 6.617 7.055 981 HA3 GLY 116 HA2 GLY 116 -9.517 8.135 7.020 982 H THR 117 H THR 117 -10.791 5.817 9.103 983 HA THR 117 HA THR 117 -10.433 7.414 11.402 984 HB THR 117 HB THR 117 -11.145 4.496 11.490 985 HG1 THR 117 HG1 THR 117 -12.910 6.608 10.705 986 HG21 THR 117 HG21 THR 117 -12.189 6.927 12.951 987 HG22 THR 117 HG22 THR 117 -11.061 5.737 13.600 988 HG23 THR 117 HG23 THR 117 -12.716 5.264 13.213 989 H PHE 118 H PHE 118 -8.578 7.639 12.465 990 HA PHE 118 HA PHE 118 -6.342 5.952 12.108 991 HB2 PHE 118 HB3 PHE 118 -6.151 8.337 12.671 992 HB3 PHE 118 HB2 PHE 118 -6.860 8.026 14.251 993 HD1 PHE 118 HD1 PHE 118 -3.929 7.324 12.109 994 HD2 PHE 118 HD2 PHE 118 -5.531 7.308 16.051 995 HE1 PHE 118 HE1 PHE 118 -1.683 6.898 13.017 996 HE2 PHE 118 HE2 PHE 118 -3.288 6.881 16.966 997 HZ PHE 118 HZ PHE 118 -1.363 6.676 15.447 998 H GLY 119 H GLY 119 -8.694 6.274 14.745 999 HA2 GLY 119 HA3 GLY 119 -7.442 4.418 16.489 1000 HA3 GLY 119 HA2 GLY 119 -9.116 4.948 16.575 1001 H LEU 120 H LEU 120 -9.477 4.020 13.734 1002 HA LEU 120 HA LEU 120 -10.580 1.487 14.320 1003 HB2 LEU 120 HB3 LEU 120 -11.185 3.227 12.483 1004 HB3 LEU 120 HB2 LEU 120 -9.944 2.435 11.538 1005 HG LEU 120 HG LEU 120 -12.267 0.898 12.687 1006 HD11 LEU 120 HD11 LEU 120 -12.127 2.287 10.013 1007 HD12 LEU 120 HD12 LEU 120 -13.183 2.723 11.357 1008 HD13 LEU 120 HD13 LEU 120 -13.394 1.176 10.535 1009 HD21 LEU 120 HD21 LEU 120 -11.779 -0.597 10.779 1010 HD22 LEU 120 HD22 LEU 120 -10.425 -0.458 11.902 1011 HD23 LEU 120 HD23 LEU 120 -10.394 0.416 10.368 1012 H LEU 121 H LEU 121 -7.455 2.512 13.270 1013 HA LEU 121 HA LEU 121 -6.541 0.177 12.007 1014 HB2 LEU 121 HB3 LEU 121 -4.984 2.205 13.612 1015 HB3 LEU 121 HB2 LEU 121 -4.275 1.003 12.553 1016 HG LEU 121 HG LEU 121 -6.093 3.249 11.671 1017 HD11 LEU 121 HD11 LEU 121 -3.121 2.870 11.325 1018 HD12 LEU 121 HD12 LEU 121 -3.899 4.044 12.387 1019 HD13 LEU 121 HD13 LEU 121 -4.087 4.177 10.639 1020 HD21 LEU 121 HD21 LEU 121 -6.331 1.279 10.263 1021 HD22 LEU 121 HD22 LEU 121 -4.581 1.183 10.076 1022 HD23 LEU 121 HD23 LEU 121 -5.465 2.552 9.406 1023 H ASN 122 H ASN 122 -7.138 0.875 15.332 1024 HA ASN 122 HA ASN 122 -5.456 -1.215 16.361 1025 HB2 ASN 122 HB3 ASN 122 -7.677 0.371 17.664 1026 HB3 ASN 122 HB2 ASN 122 -6.667 -0.800 18.509 1027 HD21 ASN 122 HD22 ASN 122 -6.883 2.365 17.199 1028 HD22 ASN 122 HD21 ASN 122 -5.340 2.932 17.738 1029 H THR 123 H THR 123 -8.621 -1.028 15.030 1030 HA THR 123 HA THR 123 -9.417 -3.590 16.158 1031 HB THR 123 HB THR 123 -11.531 -3.309 15.037 1032 HG1 THR 123 HG1 THR 123 -10.121 -1.367 13.569 1033 HG21 THR 123 HG21 THR 123 -10.640 -0.649 16.151 1034 HG22 THR 123 HG22 THR 123 -11.229 -2.018 17.098 1035 HG23 THR 123 HG23 THR 123 -12.307 -1.195 15.971 1036 H LEU 124 H LEU 124 -7.680 -2.397 13.556 1037 HA LEU 124 HA LEU 124 -8.319 -4.546 11.729 1038 HB2 LEU 124 HB3 LEU 124 -6.379 -2.251 11.568 1039 HB3 LEU 124 HB2 LEU 124 -6.533 -3.472 10.321 1040 HG LEU 124 HG LEU 124 -8.714 -1.577 11.195 1041 HD11 LEU 124 HD11 LEU 124 -8.401 -0.577 8.989 1042 HD12 LEU 124 HD12 LEU 124 -7.046 -1.665 8.690 1043 HD13 LEU 124 HD13 LEU 124 -6.940 -0.455 9.970 1044 HD21 LEU 124 HD21 LEU 124 -8.659 -3.609 8.966 1045 HD22 LEU 124 HD22 LEU 124 -9.958 -2.463 9.294 1046 HD23 LEU 124 HD23 LEU 124 -9.593 -3.737 10.457 1047 H ARG 125 H ARG 125 -7.072 -6.258 11.265 1048 HA ARG 125 HA ARG 125 -4.934 -6.907 13.089 1049 HB2 ARG 125 HB3 ARG 125 -6.393 -8.359 10.922 1050 HB3 ARG 125 HB2 ARG 125 -4.832 -8.971 11.455 1051 HG2 ARG 125 HG3 ARG 125 -5.602 -9.431 13.598 1052 HG3 ARG 125 HG2 ARG 125 -6.985 -8.350 13.436 1053 HD2 ARG 125 HD3 ARG 125 -7.519 -10.800 13.361 1054 HD3 ARG 125 HD2 ARG 125 -8.110 -9.855 11.999 1055 HE ARG 125 HE ARG 125 -5.583 -10.960 11.366 1056 HH11 ARG 125 HH11 ARG 125 -8.894 -11.938 11.951 1057 HH12 ARG 125 HH12 ARG 125 -8.871 -13.199 10.751 1058 HH21 ARG 125 HH22 ARG 125 -5.532 -12.659 9.807 1059 HH22 ARG 125 HH21 ARG 125 -6.949 -13.635 9.571 1060 H LEU 126 H LEU 126 -3.466 -5.315 12.623 1061 HA LEU 126 HA LEU 126 -2.314 -5.205 9.944 1062 HB2 LEU 126 HB3 LEU 126 -1.885 -3.474 12.381 1063 HB3 LEU 126 HB2 LEU 126 -1.141 -3.204 10.818 1064 HG LEU 126 HG LEU 126 -4.131 -3.244 11.158 1065 HD11 LEU 126 HD11 LEU 126 -3.229 -1.549 12.663 1066 HD12 LEU 126 HD12 LEU 126 -4.067 -0.820 11.294 1067 HD13 LEU 126 HD13 LEU 126 -2.303 -0.857 11.331 1068 HD21 LEU 126 HD21 LEU 126 -2.316 -2.014 9.089 1069 HD22 LEU 126 HD22 LEU 126 -4.078 -1.947 9.098 1070 HD23 LEU 126 HD23 LEU 126 -3.255 -3.494 8.889 1071 H ILE 127 H ILE 127 -0.486 -6.189 9.469 1072 HA ILE 127 HA ILE 127 1.275 -7.056 11.666 1073 HB ILE 127 HB ILE 127 1.771 -9.096 10.288 1074 HG12 ILE 127 HG13 ILE 127 -0.690 -8.190 8.771 1075 HG13 ILE 127 HG12 ILE 127 0.947 -8.273 8.132 1076 HG21 ILE 127 HG21 ILE 127 -0.248 -10.311 10.975 1077 HG22 ILE 127 HG22 ILE 127 -1.066 -8.773 11.259 1078 HG23 ILE 127 HG23 ILE 127 0.332 -9.223 12.237 1079 HD11 ILE 127 HD11 ILE 127 0.929 -10.695 8.395 1080 HD12 ILE 127 HD12 ILE 127 -0.402 -10.145 7.377 1081 HD13 ILE 127 HD13 ILE 127 -0.706 -10.612 9.050 1082 H ARG 128 H ARG 128 3.397 -7.991 10.411 1083 HA ARG 128 HA ARG 128 4.305 -5.735 8.789 1084 HB2 ARG 128 HB3 ARG 128 5.908 -7.965 10.064 1085 HB3 ARG 128 HB2 ARG 128 6.572 -6.572 9.219 1086 HG2 ARG 128 HG3 ARG 128 5.564 -5.101 10.924 1087 HG3 ARG 128 HG2 ARG 128 5.004 -6.534 11.789 1088 HD2 ARG 128 HD3 ARG 128 7.038 -5.784 12.808 1089 HD3 ARG 128 HD2 ARG 128 7.369 -7.285 11.946 1090 HE ARG 128 HE ARG 128 8.264 -5.799 10.129 1091 HH11 ARG 128 HH11 ARG 128 8.252 -4.772 13.486 1092 HH12 ARG 128 HH12 ARG 128 9.597 -3.694 13.285 1093 HH21 ARG 128 HH22 ARG 128 10.045 -4.403 9.881 1094 HH22 ARG 128 HH21 ARG 128 10.613 -3.476 11.246 1095 H ILE 129 H ILE 129 4.275 -5.942 6.671 1096 HA ILE 129 HA ILE 129 4.583 -8.640 5.531 1097 HB ILE 129 HB ILE 129 2.901 -6.351 4.519 1098 HG12 ILE 129 HG13 ILE 129 2.214 -9.142 5.459 1099 HG13 ILE 129 HG12 ILE 129 1.832 -7.634 6.283 1100 HG21 ILE 129 HG21 ILE 129 4.017 -7.412 2.637 1101 HG22 ILE 129 HG22 ILE 129 2.296 -7.795 2.633 1102 HG23 ILE 129 HG23 ILE 129 3.466 -8.995 3.186 1103 HD11 ILE 129 HD11 ILE 129 -0.119 -8.553 5.169 1104 HD12 ILE 129 HD12 ILE 129 0.736 -8.521 3.624 1105 HD13 ILE 129 HD13 ILE 129 0.347 -7.010 4.450 1106 H ASN 130 H ASN 130 6.232 -8.927 4.243 1107 HA ASN 130 HA ASN 130 8.100 -6.863 3.661 1108 HB2 ASN 130 HB3 ASN 130 8.864 -9.143 3.934 1109 HB3 ASN 130 HB2 ASN 130 7.821 -9.696 2.629 1110 HD21 ASN 130 HD22 ASN 130 10.795 -8.124 3.461 1111 HD22 ASN 130 HD21 ASN 130 11.466 -8.117 1.864 1112 H ASP 131 H ASP 131 8.686 -6.046 1.637 1113 HA ASP 131 HA ASP 131 6.997 -4.781 0.049 1114 HB2 ASP 131 HB3 ASP 131 9.229 -4.344 -0.359 1115 HB3 ASP 131 HB2 ASP 131 9.643 -6.043 -0.537 1116 H LYS 132 H LYS 132 7.839 -8.178 -0.507 1117 HA LYS 132 HA LYS 132 6.056 -8.205 -2.822 1118 HB2 LYS 132 HB3 LYS 132 8.165 -10.132 -1.854 1119 HB3 LYS 132 HB2 LYS 132 7.093 -10.480 -3.209 1120 HG2 LYS 132 HG3 LYS 132 7.966 -8.707 -4.487 1121 HG3 LYS 132 HG2 LYS 132 8.796 -8.013 -3.096 1122 HD2 LYS 132 HD3 LYS 132 10.314 -9.909 -3.034 1123 HD3 LYS 132 HD2 LYS 132 9.455 -10.658 -4.385 1124 HE2 LYS 132 HE3 LYS 132 11.504 -9.503 -5.110 1125 HE3 LYS 132 HE2 LYS 132 10.051 -8.813 -5.832 1126 HZ1 LYS 132 HZ1 LYS 132 10.151 -7.134 -3.936 1127 HZ2 LYS 132 HZ2 LYS 132 11.326 -6.992 -5.155 1128 HZ3 LYS 132 HZ3 LYS 132 11.732 -7.690 -3.668 1129 H GLY 133 H GLY 133 4.920 -8.040 -0.222 1130 HA2 GLY 133 HA3 GLY 133 3.041 -8.875 0.795 1131 HA3 GLY 133 HA2 GLY 133 2.851 -9.928 -0.599 1132 H GLU 134 H GLU 134 5.577 -9.822 1.622 1133 HA GLU 134 HA GLU 134 5.134 -12.685 2.099 1134 HB2 GLU 134 HB3 GLU 134 7.575 -10.945 2.398 1135 HB3 GLU 134 HB2 GLU 134 7.512 -12.611 2.957 1136 HG2 GLU 134 HG3 GLU 134 7.065 -11.725 0.115 1137 HG3 GLU 134 HG2 GLU 134 8.578 -12.366 0.755 1138 H GLN 135 H GLN 135 4.803 -13.535 4.059 1139 HA GLN 135 HA GLN 135 3.892 -11.914 6.186 1140 HB2 GLN 135 HB3 GLN 135 3.124 -14.229 5.774 1141 HB3 GLN 135 HB2 GLN 135 4.716 -14.824 6.223 1142 HG2 GLN 135 HG3 GLN 135 3.220 -15.115 8.068 1143 HG3 GLN 135 HG2 GLN 135 4.399 -13.867 8.476 1144 HE21 GLN 135 HE22 GLN 135 3.086 -12.943 10.021 1145 HE22 GLN 135 HE21 GLN 135 1.670 -12.039 9.621 1146 H VAL 136 H VAL 136 5.077 -10.772 7.583 1147 HA VAL 136 HA VAL 136 7.753 -11.785 8.303 1148 HB VAL 136 HB VAL 136 6.929 -8.879 8.219 1149 HG11 VAL 136 HG11 VAL 136 9.344 -8.456 8.455 1150 HG12 VAL 136 HG12 VAL 136 9.611 -10.192 8.634 1151 HG13 VAL 136 HG13 VAL 136 8.666 -9.315 9.838 1152 HG21 VAL 136 HG21 VAL 136 6.991 -9.719 5.959 1153 HG22 VAL 136 HG22 VAL 136 8.575 -10.443 6.243 1154 HG23 VAL 136 HG23 VAL 136 8.393 -8.689 6.252 1155 H VAL 137 H VAL 137 7.902 -12.350 10.375 1156 HA VAL 137 HA VAL 137 6.226 -10.983 12.356 1157 HB VAL 137 HB VAL 137 8.032 -13.382 12.740 1158 HG11 VAL 137 HG11 VAL 137 6.850 -13.654 14.872 1159 HG12 VAL 137 HG12 VAL 137 5.960 -12.164 14.562 1160 HG13 VAL 137 HG13 VAL 137 7.708 -12.115 14.790 1161 HG21 VAL 137 HG21 VAL 137 5.033 -13.267 12.432 1162 HG22 VAL 137 HG22 VAL 137 5.974 -14.706 12.820 1163 HG23 VAL 137 HG23 VAL 137 6.175 -13.917 11.256 1164 H GLY 138 H GLY 138 9.554 -12.151 12.095 1165 HA2 GLY 138 HA3 GLY 138 11.556 -11.047 12.334 1166 HA3 GLY 138 HA2 GLY 138 10.665 -9.539 12.454 1167 H GLY 139 H GLY 139 9.451 -9.298 14.604 1168 HA2 GLY 139 HA3 GLY 139 9.636 -9.054 16.896 1169 HA3 GLY 139 HA2 GLY 139 10.793 -10.382 16.905 1170 H ASN 140 H ASN 140 10.977 -7.470 14.963 1171 HA ASN 140 HA ASN 140 12.626 -5.945 14.656 1172 HB2 ASN 140 HB3 ASN 140 11.854 -5.177 16.898 1173 HB3 ASN 140 HB2 ASN 140 13.071 -6.209 17.642 1174 HD21 ASN 140 HD22 ASN 140 14.181 -4.537 18.592 1175 HD22 ASN 140 HD21 ASN 140 15.102 -3.383 17.693 1176 H GLU 141 H GLU 141 13.420 -8.208 13.764 1177 HA GLU 141 HA GLU 141 16.073 -8.756 14.908 1178 HB2 GLU 141 HB3 GLU 141 14.425 -10.660 14.857 1179 HB3 GLU 141 HB2 GLU 141 14.435 -10.549 13.104 1180 HG2 GLU 141 HG3 GLU 141 16.829 -11.062 13.091 1181 HG3 GLU 141 HG2 GLU 141 16.803 -11.189 14.850 Start of MODEL 9 1 H MET 1 H MET 1 -2.213 19.926 24.615 2 HA MET 1 HA MET 1 -3.929 18.237 22.901 3 HB2 MET 1 HB3 MET 1 -3.190 21.158 22.806 4 HB3 MET 1 HB2 MET 1 -3.803 20.297 21.400 5 HG2 MET 1 HG3 MET 1 -5.851 19.762 22.620 6 HG3 MET 1 HG2 MET 1 -5.234 20.618 24.030 7 HE1 MET 1 HE1 MET 1 -8.075 21.115 22.514 8 HE2 MET 1 HE2 MET 1 -8.162 22.872 22.632 9 HE3 MET 1 HE3 MET 1 -7.594 21.924 24.005 10 H ARG 2 H ARG 2 -2.918 18.970 20.508 11 HA ARG 2 HA ARG 2 -0.749 17.188 20.299 12 HB2 ARG 2 HB3 ARG 2 -0.718 17.831 17.923 13 HB3 ARG 2 HB2 ARG 2 -2.348 17.487 18.492 14 HG2 ARG 2 HG3 ARG 2 -2.909 19.780 18.559 15 HG3 ARG 2 HG2 ARG 2 -1.227 20.268 18.343 16 HD2 ARG 2 HD3 ARG 2 -1.233 19.345 16.094 17 HD3 ARG 2 HD2 ARG 2 -2.894 18.792 16.310 18 HE ARG 2 HE ARG 2 -3.639 21.014 16.196 19 HH11 ARG 2 HH11 ARG 2 -0.159 20.795 15.856 20 HH12 ARG 2 HH12 ARG 2 0.000 22.378 15.158 21 HH21 ARG 2 HH22 ARG 2 -3.440 23.078 15.289 22 HH22 ARG 2 HH21 ARG 2 -1.878 23.674 14.804 23 H GLU 3 H GLU 3 1.288 17.662 19.159 24 HA GLU 3 HA GLU 3 2.696 19.840 20.417 25 HB2 GLU 3 HB3 GLU 3 3.600 17.786 18.387 26 HB3 GLU 3 HB2 GLU 3 4.661 18.932 19.193 27 HG2 GLU 3 HG3 GLU 3 4.209 17.921 21.330 28 HG3 GLU 3 HG2 GLU 3 3.016 16.843 20.603 29 H ASP 4 H ASP 4 4.240 21.151 18.998 30 HA ASP 4 HA ASP 4 2.709 22.270 16.758 31 HB2 ASP 4 HB3 ASP 4 3.406 23.799 18.595 32 HB3 ASP 4 HB2 ASP 4 5.089 23.427 18.239 33 H LYS 5 H LYS 5 5.120 20.125 17.348 34 HA LYS 5 HA LYS 5 7.024 20.707 15.341 35 HB2 LYS 5 HB3 LYS 5 7.339 19.144 17.291 36 HB3 LYS 5 HB2 LYS 5 6.306 17.993 16.459 37 HG2 LYS 5 HG3 LYS 5 7.919 17.992 14.572 38 HG3 LYS 5 HG2 LYS 5 8.977 19.027 15.534 39 HD2 LYS 5 HD3 LYS 5 8.955 17.264 17.307 40 HD3 LYS 5 HD2 LYS 5 8.074 16.225 16.186 41 HE2 LYS 5 HE3 LYS 5 10.389 15.645 16.069 42 HE3 LYS 5 HE2 LYS 5 9.959 16.481 14.577 43 HZ1 LYS 5 HZ1 LYS 5 11.002 18.465 15.361 44 HZ2 LYS 5 HZ2 LYS 5 12.103 17.191 15.569 45 HZ3 LYS 5 HZ3 LYS 5 11.254 17.801 16.901 46 H ILE 6 H ILE 6 6.814 20.571 13.208 47 HA ILE 6 HA ILE 6 4.515 19.111 12.116 48 HB ILE 6 HB ILE 6 6.183 21.296 10.850 49 HG12 ILE 6 HG13 ILE 6 3.359 21.367 11.938 50 HG13 ILE 6 HG12 ILE 6 4.769 22.063 12.731 51 HG21 ILE 6 HG21 ILE 6 3.670 19.946 9.864 52 HG22 ILE 6 HG22 ILE 6 5.285 19.770 9.178 53 HG23 ILE 6 HG23 ILE 6 4.461 21.328 9.104 54 HD11 ILE 6 HD11 ILE 6 3.447 23.757 11.597 55 HD12 ILE 6 HD12 ILE 6 3.653 22.907 10.066 56 HD13 ILE 6 HD13 ILE 6 5.050 23.617 10.879 57 H ALA 7 H ALA 7 4.810 17.361 10.889 58 HA ALA 7 HA ALA 7 7.533 16.694 10.007 59 HB1 ALA 7 HB1 ALA 7 6.442 15.028 11.431 60 HB2 ALA 7 HB2 ALA 7 6.723 14.393 9.810 61 HB3 ALA 7 HB3 ALA 7 5.106 14.916 10.285 62 H ALA 8 H ALA 8 7.901 16.036 7.843 63 HA ALA 8 HA ALA 8 5.835 16.122 5.871 64 HB1 ALA 8 HB1 ALA 8 6.579 18.113 4.676 65 HB2 ALA 8 HB2 ALA 8 7.770 18.439 5.937 66 HB3 ALA 8 HB3 ALA 8 6.048 18.525 6.306 67 H LYS 9 H LYS 9 6.831 16.083 3.619 68 HA LYS 9 HA LYS 9 8.834 14.067 3.555 69 HB2 LYS 9 HB3 LYS 9 7.567 15.705 1.361 70 HB3 LYS 9 HB2 LYS 9 8.719 14.414 1.062 71 HG2 LYS 9 HG3 LYS 9 7.201 12.810 2.096 72 HG3 LYS 9 HG2 LYS 9 6.047 14.106 2.417 73 HD2 LYS 9 HD3 LYS 9 5.748 14.499 0.066 74 HD3 LYS 9 HD2 LYS 9 7.037 13.363 -0.332 75 HE2 LYS 9 HE3 LYS 9 5.705 11.535 0.619 76 HE3 LYS 9 HE2 LYS 9 4.416 12.677 0.995 77 HZ1 LYS 9 HZ1 LYS 9 5.432 12.239 -1.758 78 HZ2 LYS 9 HZ2 LYS 9 4.023 13.062 -1.292 79 HZ3 LYS 9 HZ3 LYS 9 4.127 11.377 -1.114 80 H LYS 10 H LYS 10 10.635 14.964 4.567 81 HA LYS 10 HA LYS 10 12.426 16.254 2.723 82 HB2 LYS 10 HB3 LYS 10 11.164 18.144 3.885 83 HB3 LYS 10 HB2 LYS 10 11.958 17.633 5.368 84 HG2 LYS 10 HG3 LYS 10 14.127 18.095 4.415 85 HG3 LYS 10 HG2 LYS 10 13.387 18.502 2.865 86 HD2 LYS 10 HD3 LYS 10 12.118 20.308 4.078 87 HD3 LYS 10 HD2 LYS 10 13.141 19.980 5.476 88 HE2 LYS 10 HE3 LYS 10 15.122 20.525 4.187 89 HE3 LYS 10 HE2 LYS 10 14.140 20.773 2.743 90 HZ1 LYS 10 HZ1 LYS 10 14.602 22.890 3.663 91 HZ2 LYS 10 HZ2 LYS 10 14.143 22.401 5.224 92 HZ3 LYS 10 HZ3 LYS 10 12.974 22.562 4.003 93 H LYS 11 H LYS 11 12.052 15.656 6.218 94 HA LYS 11 HA LYS 11 14.683 14.388 6.256 95 HB2 LYS 11 HB3 LYS 11 12.771 15.142 8.474 96 HB3 LYS 11 HB2 LYS 11 14.278 14.275 8.741 97 HG2 LYS 11 HG3 LYS 11 15.526 16.159 7.810 98 HG3 LYS 11 HG2 LYS 11 14.012 17.029 7.552 99 HD2 LYS 11 HD3 LYS 11 13.583 17.064 9.932 100 HD3 LYS 11 HD2 LYS 11 15.019 16.082 10.234 101 HE2 LYS 11 HE3 LYS 11 15.033 18.826 8.986 102 HE3 LYS 11 HE2 LYS 11 15.370 18.491 10.683 103 HZ1 LYS 11 HZ1 LYS 11 16.928 17.361 8.418 104 HZ2 LYS 11 HZ2 LYS 11 17.292 17.236 10.069 105 HZ3 LYS 11 HZ3 LYS 11 17.382 18.740 9.291 106 H LEU 12 H LEU 12 14.733 12.333 5.708 107 HA LEU 12 HA LEU 12 12.386 10.741 5.574 108 HB2 LEU 12 HB3 LEU 12 15.285 10.006 5.190 109 HB3 LEU 12 HB2 LEU 12 13.935 8.946 4.834 110 HG LEU 12 HG LEU 12 14.524 11.577 3.472 111 HD11 LEU 12 HD11 LEU 12 14.724 8.735 2.484 112 HD12 LEU 12 HD12 LEU 12 16.076 9.810 2.842 113 HD13 LEU 12 HD13 LEU 12 14.979 10.186 1.514 114 HD21 LEU 12 HD21 LEU 12 12.346 9.553 2.957 115 HD22 LEU 12 HD22 LEU 12 12.686 10.974 1.971 116 HD23 LEU 12 HD23 LEU 12 12.125 11.166 3.632 117 H HIS 13 H HIS 13 11.697 10.780 7.747 118 HA HIS 13 HA HIS 13 12.121 8.352 9.060 119 HB2 HIS 13 HB3 HIS 13 14.253 9.395 9.812 120 HB3 HIS 13 HB2 HIS 13 13.331 10.704 10.545 121 HD1 HIS 13 HD1 HIS 13 12.934 10.396 12.970 122 HD2 HIS 13 HD2 HIS 13 13.349 6.757 10.988 123 HE1 HIS 13 HE1 HIS 13 12.711 8.623 14.741 124 HE2 HIS 13 HE2 HIS 13 13.082 6.435 13.545 125 H GLN 14 H GLN 14 11.206 11.737 9.384 126 HA GLN 14 HA GLN 14 8.695 10.835 10.614 127 HB2 GLN 14 HB3 GLN 14 10.333 13.279 11.252 128 HB3 GLN 14 HB2 GLN 14 8.617 13.190 11.632 129 HG2 GLN 14 HG3 GLN 14 9.053 11.166 12.970 130 HG3 GLN 14 HG2 GLN 14 10.776 11.357 12.648 131 HE21 GLN 14 HE22 GLN 14 9.261 11.388 15.166 132 HE22 GLN 14 HE21 GLN 14 9.644 12.906 15.923 133 H ASP 15 H ASP 15 7.441 10.773 8.911 134 HA ASP 15 HA ASP 15 6.962 13.256 7.431 135 HB2 ASP 15 HB3 ASP 15 8.386 11.819 6.020 136 HB3 ASP 15 HB2 ASP 15 7.261 10.485 6.222 137 H LYS 16 H LYS 16 4.819 12.878 6.104 138 HA LYS 16 HA LYS 16 2.723 12.499 7.914 139 HB2 LYS 16 HB3 LYS 16 2.627 12.242 4.900 140 HB3 LYS 16 HB2 LYS 16 1.254 12.538 5.956 141 HG2 LYS 16 HG3 LYS 16 3.593 14.398 5.594 142 HG3 LYS 16 HG2 LYS 16 2.023 14.561 4.805 143 HD2 LYS 16 HD3 LYS 16 0.957 14.744 7.018 144 HD3 LYS 16 HD2 LYS 16 2.548 14.637 7.776 145 HE2 LYS 16 HE3 LYS 16 3.240 16.677 6.651 146 HE3 LYS 16 HE2 LYS 16 1.684 16.769 5.827 147 HZ1 LYS 16 HZ1 LYS 16 0.618 16.975 8.015 148 HZ2 LYS 16 HZ2 LYS 16 1.699 18.246 7.700 149 HZ3 LYS 16 HZ3 LYS 16 2.147 16.997 8.753 150 H ARG 17 H ARG 17 1.172 10.822 8.140 151 HA ARG 17 HA ARG 17 2.334 8.198 7.972 152 HB2 ARG 17 HB3 ARG 17 -0.441 9.035 8.828 153 HB3 ARG 17 HB2 ARG 17 0.245 7.430 9.032 154 HG2 ARG 17 HG3 ARG 17 2.072 8.531 10.395 155 HG3 ARG 17 HG2 ARG 17 1.069 9.984 10.380 156 HD2 ARG 17 HD3 ARG 17 0.635 8.771 12.406 157 HD3 ARG 17 HD2 ARG 17 -0.780 8.650 11.362 158 HE ARG 17 HE ARG 17 0.860 6.430 10.860 159 HH11 ARG 17 HH11 ARG 17 -1.101 7.729 13.471 160 HH12 ARG 17 HH12 ARG 17 -1.423 6.172 14.164 161 HH21 ARG 17 HH22 ARG 17 0.441 4.405 11.769 162 HH22 ARG 17 HH21 ARG 17 -0.559 4.276 13.194 163 H VAL 18 H VAL 18 1.441 9.833 5.544 164 HA VAL 18 HA VAL 18 -0.556 8.480 4.138 165 HB VAL 18 HB VAL 18 1.939 9.818 3.058 166 HG11 VAL 18 HG11 VAL 18 -0.626 9.102 1.645 167 HG12 VAL 18 HG12 VAL 18 0.953 8.363 1.382 168 HG13 VAL 18 HG13 VAL 18 0.693 10.056 0.962 169 HG21 VAL 18 HG21 VAL 18 0.596 11.321 4.407 170 HG22 VAL 18 HG22 VAL 18 -0.846 10.889 3.488 171 HG23 VAL 18 HG23 VAL 18 0.475 11.754 2.702 172 H HIS 19 H HIS 19 2.799 7.694 4.739 173 HA HIS 19 HA HIS 19 3.238 5.724 2.814 174 HB2 HIS 19 HB3 HIS 19 4.247 5.756 5.672 175 HB3 HIS 19 HB2 HIS 19 4.901 4.771 4.369 176 HD1 HIS 19 HD1 HIS 19 6.377 5.962 2.596 177 HD2 HIS 19 HD2 HIS 19 5.003 8.434 5.651 178 HE1 HIS 19 HE1 HIS 19 7.725 8.076 2.427 179 HE2 HIS 19 HE2 HIS 19 6.681 9.649 4.104 180 H GLU 20 H GLU 20 1.568 5.584 5.895 181 HA GLU 20 HA GLU 20 1.200 2.700 5.684 182 HB2 GLU 20 HB3 GLU 20 0.217 4.526 7.879 183 HB3 GLU 20 HB2 GLU 20 0.456 2.786 7.953 184 HG2 GLU 20 HG3 GLU 20 2.832 3.042 7.893 185 HG3 GLU 20 HG2 GLU 20 2.685 4.772 7.584 186 H LEU 21 H LEU 21 -0.822 5.579 6.256 187 HA LEU 21 HA LEU 21 -3.223 4.075 6.240 188 HB2 LEU 21 HB3 LEU 21 -2.899 7.060 5.989 189 HB3 LEU 21 HB2 LEU 21 -4.357 6.205 6.462 190 HG LEU 21 HG LEU 21 -1.785 6.284 8.042 191 HD11 LEU 21 HD11 LEU 21 -3.078 7.625 9.629 192 HD12 LEU 21 HD12 LEU 21 -4.443 7.622 8.513 193 HD13 LEU 21 HD13 LEU 21 -2.936 8.421 8.061 194 HD21 LEU 21 HD21 LEU 21 -4.464 5.065 8.703 195 HD22 LEU 21 HD22 LEU 21 -3.081 5.174 9.793 196 HD23 LEU 21 HD23 LEU 21 -2.983 4.181 8.339 197 H ALA 22 H ALA 22 -1.536 5.859 3.725 198 HA ALA 22 HA ALA 22 -3.797 6.058 1.997 199 HB1 ALA 22 HB1 ALA 22 -1.887 7.564 1.764 200 HB2 ALA 22 HB2 ALA 22 -2.228 6.706 0.260 201 HB3 ALA 22 HB3 ALA 22 -0.875 6.205 1.275 202 H ARG 23 H ARG 23 -1.305 3.640 2.502 203 HA ARG 23 HA ARG 23 -1.881 2.048 0.232 204 HB2 ARG 23 HB3 ARG 23 -0.859 1.189 2.951 205 HB3 ARG 23 HB2 ARG 23 -0.841 0.197 1.503 206 HG2 ARG 23 HG3 ARG 23 0.673 1.851 0.446 207 HG3 ARG 23 HG2 ARG 23 0.718 2.728 1.979 208 HD2 ARG 23 HD3 ARG 23 1.536 0.644 3.071 209 HD3 ARG 23 HD2 ARG 23 1.624 -0.106 1.482 210 HE ARG 23 HE ARG 23 3.125 2.359 1.813 211 HH11 ARG 23 HH11 ARG 23 3.153 -1.136 1.856 212 HH12 ARG 23 HH12 ARG 23 4.871 -1.260 1.688 213 HH21 ARG 23 HH22 ARG 23 5.429 2.212 1.641 214 HH22 ARG 23 HH21 ARG 23 6.161 0.637 1.566 215 H VAL 24 H VAL 24 -3.140 2.162 3.512 216 HA VAL 24 HA VAL 24 -4.946 -0.011 3.272 217 HB VAL 24 HB VAL 24 -5.076 2.364 5.145 218 HG11 VAL 24 HG11 VAL 24 -6.337 -0.368 5.348 219 HG12 VAL 24 HG12 VAL 24 -7.183 1.149 5.041 220 HG13 VAL 24 HG13 VAL 24 -6.385 0.882 6.591 221 HG21 VAL 24 HG21 VAL 24 -3.934 0.910 6.754 222 HG22 VAL 24 HG22 VAL 24 -2.944 1.205 5.324 223 HG23 VAL 24 HG23 VAL 24 -3.783 -0.335 5.514 224 H LYS 25 H LYS 25 -5.278 3.495 2.883 225 HA LYS 25 HA LYS 25 -8.019 3.624 2.366 226 HB2 LYS 25 HB3 LYS 25 -6.378 5.550 2.720 227 HB3 LYS 25 HB2 LYS 25 -5.928 5.358 1.034 228 HG2 LYS 25 HG3 LYS 25 -8.736 5.943 1.950 229 HG3 LYS 25 HG2 LYS 25 -7.568 7.187 1.512 230 HD2 LYS 25 HD3 LYS 25 -7.385 6.175 -0.735 231 HD3 LYS 25 HD2 LYS 25 -8.622 5.002 -0.280 232 HE2 LYS 25 HE3 LYS 25 -10.163 6.915 0.160 233 HE3 LYS 25 HE2 LYS 25 -8.932 7.990 -0.502 234 HZ1 LYS 25 HZ1 LYS 25 -10.548 5.951 -1.890 235 HZ2 LYS 25 HZ2 LYS 25 -9.053 6.437 -2.532 236 HZ3 LYS 25 HZ3 LYS 25 -10.290 7.573 -2.307 237 H PHE 26 H PHE 26 -5.284 3.126 0.158 238 HA PHE 26 HA PHE 26 -6.693 3.015 -2.239 239 HB2 PHE 26 HB3 PHE 26 -4.246 3.085 -2.132 240 HB3 PHE 26 HB2 PHE 26 -4.216 1.470 -1.434 241 HD1 PHE 26 HD1 PHE 26 -5.189 3.355 -4.478 242 HD2 PHE 26 HD2 PHE 26 -4.155 -0.414 -2.795 243 HE1 PHE 26 HE1 PHE 26 -5.083 2.380 -6.734 244 HE2 PHE 26 HE2 PHE 26 -4.048 -1.392 -5.047 245 HZ PHE 26 HZ PHE 26 -4.515 0.001 -7.019 246 H MET 27 H MET 27 -5.937 0.423 0.057 247 HA MET 27 HA MET 27 -7.163 -1.677 -1.367 248 HB2 MET 27 HB3 MET 27 -6.693 -1.329 1.597 249 HB3 MET 27 HB2 MET 27 -7.209 -2.832 0.841 250 HG2 MET 27 HG3 MET 27 -5.166 -2.994 -0.385 251 HG3 MET 27 HG2 MET 27 -4.665 -1.389 0.147 252 HE1 MET 27 HE1 MET 27 -2.165 -3.816 1.979 253 HE2 MET 27 HE2 MET 27 -2.311 -2.448 0.876 254 HE3 MET 27 HE3 MET 27 -2.861 -4.048 0.374 255 H GLN 28 H GLN 28 -8.399 0.344 1.296 256 HA GLN 28 HA GLN 28 -10.974 -0.659 1.490 257 HB2 GLN 28 HB3 GLN 28 -10.042 1.031 3.019 258 HB3 GLN 28 HB2 GLN 28 -10.089 2.225 1.730 259 HG2 GLN 28 HG3 GLN 28 -12.602 1.768 1.648 260 HG3 GLN 28 HG2 GLN 28 -12.373 0.970 3.203 261 HE21 GLN 28 HE22 GLN 28 -13.921 3.332 2.599 262 HE22 GLN 28 HE21 GLN 28 -13.274 4.596 3.582 263 H ASP 29 H ASP 29 -9.744 1.908 -0.594 264 HA ASP 29 HA ASP 29 -12.154 2.583 -1.851 265 HB2 ASP 29 HB3 ASP 29 -10.062 3.935 -1.919 266 HB3 ASP 29 HB2 ASP 29 -9.366 2.748 -3.015 267 H VAL 30 H VAL 30 -9.558 0.409 -2.952 268 HA VAL 30 HA VAL 30 -10.719 -0.326 -5.381 269 HB VAL 30 HB VAL 30 -8.763 -1.789 -3.611 270 HG11 VAL 30 HG11 VAL 30 -9.601 -2.486 -6.424 271 HG12 VAL 30 HG12 VAL 30 -9.917 -3.443 -4.975 272 HG13 VAL 30 HG13 VAL 30 -8.262 -3.217 -5.540 273 HG21 VAL 30 HG21 VAL 30 -7.973 0.308 -4.560 274 HG22 VAL 30 HG22 VAL 30 -8.431 -0.236 -6.174 275 HG23 VAL 30 HG23 VAL 30 -7.143 -1.062 -5.298 276 H VAL 31 H VAL 31 -11.057 -1.814 -2.178 277 HA VAL 31 HA VAL 31 -12.562 -4.055 -3.092 278 HB VAL 31 HB VAL 31 -12.316 -2.865 -0.319 279 HG11 VAL 31 HG11 VAL 31 -13.146 -5.001 0.517 280 HG12 VAL 31 HG12 VAL 31 -13.388 -5.565 -1.137 281 HG13 VAL 31 HG13 VAL 31 -14.346 -4.222 -0.514 282 HG21 VAL 31 HG21 VAL 31 -10.739 -4.695 0.071 283 HG22 VAL 31 HG22 VAL 31 -10.198 -3.639 -1.233 284 HG23 VAL 31 HG23 VAL 31 -10.919 -5.205 -1.608 285 H ASN 32 H ASN 32 -13.396 -0.819 -2.055 286 HA ASN 32 HA ASN 32 -16.235 -1.561 -1.982 287 HB2 ASN 32 HB3 ASN 32 -14.842 0.900 -0.913 288 HB3 ASN 32 HB2 ASN 32 -16.571 0.583 -0.793 289 HD21 ASN 32 HD22 ASN 32 -14.683 0.976 1.347 290 HD22 ASN 32 HD21 ASN 32 -14.696 -0.467 2.296 291 H SER 33 H SER 33 -14.217 -0.606 -4.245 292 HA SER 33 HA SER 33 -16.242 1.067 -5.578 293 HB2 SER 33 HB3 SER 33 -14.265 2.421 -5.159 294 HB3 SER 33 HB2 SER 33 -13.225 1.180 -5.853 295 HG SER 33 HG SER 33 -13.486 2.442 -7.545 296 H ASP 34 H ASP 34 -16.605 0.648 -7.765 297 HA ASP 34 HA ASP 34 -16.591 -2.070 -8.476 298 HB2 ASP 34 HB3 ASP 34 -17.458 -1.285 -10.666 299 HB3 ASP 34 HB2 ASP 34 -18.303 -0.575 -9.295 300 H THR 35 H THR 35 -13.993 -0.083 -8.482 301 HA THR 35 HA THR 35 -12.630 -0.559 -10.854 302 HB THR 35 HB THR 35 -11.387 -0.473 -8.097 303 HG1 THR 35 HG1 THR 35 -12.557 1.528 -9.720 304 HG21 THR 35 HG21 THR 35 -9.504 0.580 -9.288 305 HG22 THR 35 HG22 THR 35 -10.353 0.347 -10.818 306 HG23 THR 35 HG23 THR 35 -9.824 -1.050 -9.879 307 H PHE 36 H PHE 36 -12.476 -2.456 -7.817 308 HA PHE 36 HA PHE 36 -12.108 -4.878 -9.421 309 HB2 PHE 36 HB3 PHE 36 -10.275 -4.007 -7.183 310 HB3 PHE 36 HB2 PHE 36 -10.366 -5.669 -7.753 311 HD1 PHE 36 HD2 PHE 36 -9.916 -6.055 -10.260 312 HD2 PHE 36 HD1 PHE 36 -8.817 -2.510 -8.178 313 HE1 PHE 36 HE2 PHE 36 -8.264 -5.545 -12.008 314 HE2 PHE 36 HE1 PHE 36 -7.163 -1.994 -9.924 315 HZ PHE 36 HZ PHE 36 -6.884 -3.513 -11.842 316 H LYS 37 H LYS 37 -14.307 -3.724 -7.957 317 HA LYS 37 HA LYS 37 -14.598 -4.849 -5.380 318 HB2 LYS 37 HB3 LYS 37 -15.819 -2.864 -6.285 319 HB3 LYS 37 HB2 LYS 37 -16.763 -3.956 -7.286 320 HG2 LYS 37 HG3 LYS 37 -17.718 -4.990 -5.337 321 HG3 LYS 37 HG2 LYS 37 -16.685 -4.020 -4.281 322 HD2 LYS 37 HD3 LYS 37 -17.767 -1.995 -5.002 323 HD3 LYS 37 HD2 LYS 37 -18.703 -2.879 -6.209 324 HE2 LYS 37 HE3 LYS 37 -18.872 -3.319 -3.236 325 HE3 LYS 37 HE2 LYS 37 -19.991 -2.330 -4.172 326 HZ1 LYS 37 HZ1 LYS 37 -19.507 -5.174 -4.835 327 HZ2 LYS 37 HZ2 LYS 37 -20.806 -4.192 -5.294 328 HZ3 LYS 37 HZ3 LYS 37 -20.669 -4.712 -3.689 329 H GLY 38 H GLY 38 -14.794 -6.240 -8.467 330 HA2 GLY 38 HA3 GLY 38 -16.652 -8.324 -7.946 331 HA3 GLY 38 HA2 GLY 38 -15.400 -8.342 -9.181 332 H GLN 39 H GLN 39 -13.451 -7.732 -6.904 333 HA GLN 39 HA GLN 39 -13.260 -10.471 -5.832 334 HB2 GLN 39 HB3 GLN 39 -11.038 -8.524 -6.490 335 HB3 GLN 39 HB2 GLN 39 -10.810 -10.097 -5.739 336 HG2 GLN 39 HG3 GLN 39 -11.559 -11.222 -7.702 337 HG3 GLN 39 HG2 GLN 39 -12.061 -9.702 -8.443 338 HE21 GLN 39 HE22 GLN 39 -10.771 -10.044 -10.231 339 HE22 GLN 39 HE21 GLN 39 -9.049 -9.882 -10.177 340 HA PRO 40 HA PRO 40 -14.072 -7.806 -2.221 341 HB2 PRO 40 HB2 PRO 40 -14.765 -10.371 -0.961 342 HB3 PRO 40 HB3 PRO 40 -15.751 -8.921 -1.166 343 HG2 PRO 40 HG3 PRO 40 -16.227 -11.165 -2.566 344 HG3 PRO 40 HG2 PRO 40 -16.482 -9.553 -3.261 345 HD2 PRO 40 HD3 PRO 40 -14.193 -11.445 -3.659 346 HD3 PRO 40 HD2 PRO 40 -15.044 -10.441 -4.852 347 H ILE 41 H ILE 41 -12.220 -10.777 -2.423 348 HA ILE 41 HA ILE 41 -10.575 -9.840 -0.163 349 HB ILE 41 HB ILE 41 -10.873 -12.744 -0.937 350 HG12 ILE 41 HG13 ILE 41 -13.070 -11.911 -0.184 351 HG13 ILE 41 HG12 ILE 41 -12.367 -13.027 0.981 352 HG21 ILE 41 HG21 ILE 41 -9.860 -13.161 1.224 353 HG22 ILE 41 HG22 ILE 41 -9.856 -11.432 1.583 354 HG23 ILE 41 HG23 ILE 41 -8.840 -12.067 0.285 355 HD11 ILE 41 HD11 ILE 41 -13.425 -11.151 2.087 356 HD12 ILE 41 HD12 ILE 41 -12.393 -10.027 1.201 357 HD13 ILE 41 HD13 ILE 41 -11.683 -11.142 2.369 358 H PHE 42 H PHE 42 -8.401 -9.751 -0.507 359 HA PHE 42 HA PHE 42 -7.463 -10.635 -3.149 360 HB2 PHE 42 HB3 PHE 42 -6.569 -8.284 -1.474 361 HB3 PHE 42 HB2 PHE 42 -5.702 -8.852 -2.897 362 HD1 PHE 42 HD2 PHE 42 -6.902 -8.858 -5.112 363 HD2 PHE 42 HD1 PHE 42 -8.407 -6.849 -1.676 364 HE1 PHE 42 HE2 PHE 42 -8.355 -7.492 -6.554 365 HE2 PHE 42 HE1 PHE 42 -9.864 -5.482 -3.110 366 HZ PHE 42 HZ PHE 42 -9.837 -5.801 -5.553 367 H ASP 43 H ASP 43 -5.255 -11.350 -3.276 368 HA ASP 43 HA ASP 43 -4.573 -12.955 -0.946 369 HB2 ASP 43 HB3 ASP 43 -3.031 -14.112 -2.550 370 HB3 ASP 43 HB2 ASP 43 -4.730 -14.167 -3.013 371 H HIS 44 H HIS 44 -2.022 -13.406 -0.970 372 HA HIS 44 HA HIS 44 -0.939 -10.950 0.079 373 HB2 HIS 44 HB3 HIS 44 0.229 -13.734 -0.130 374 HB3 HIS 44 HB2 HIS 44 1.016 -12.390 0.687 375 HD1 HIS 44 HD1 HIS 44 0.739 -12.568 3.132 376 HD2 HIS 44 HD2 HIS 44 -2.599 -13.997 1.107 377 HE1 HIS 44 HE1 HIS 44 -0.874 -13.306 4.915 378 HE2 HIS 44 HE2 HIS 44 -2.972 -13.929 3.666 379 H ALA 45 H ALA 45 -0.646 -12.753 -2.864 380 HA ALA 45 HA ALA 45 1.781 -11.480 -3.724 381 HB1 ALA 45 HB1 ALA 45 -0.291 -12.970 -5.337 382 HB2 ALA 45 HB2 ALA 45 1.142 -13.679 -4.592 383 HB3 ALA 45 HB3 ALA 45 1.317 -12.502 -5.892 384 H HIS 46 H HIS 46 -1.686 -11.070 -4.285 385 HA HIS 46 HA HIS 46 -1.492 -8.761 -5.898 386 HB2 HIS 46 HB3 HIS 46 -3.625 -10.094 -4.359 387 HB3 HIS 46 HB2 HIS 46 -3.846 -8.363 -4.594 388 HD1 HIS 46 HD1 HIS 46 -4.340 -11.559 -6.239 389 HD2 HIS 46 HD2 HIS 46 -3.747 -7.621 -7.435 390 HE1 HIS 46 HE1 HIS 46 -5.089 -11.454 -8.641 391 HE2 HIS 46 HE2 HIS 46 -4.431 -9.145 -9.407 392 H THR 47 H THR 47 -1.148 -9.262 -2.482 393 HA THR 47 HA THR 47 -1.325 -6.601 -1.606 394 HB THR 47 HB THR 47 0.497 -8.802 -0.606 395 HG1 THR 47 HG1 THR 47 -2.057 -8.739 -0.520 396 HG21 THR 47 HG21 THR 47 0.671 -7.484 1.449 397 HG22 THR 47 HG22 THR 47 -0.297 -6.202 0.716 398 HG23 THR 47 HG23 THR 47 1.296 -6.586 0.064 399 H ARG 48 H ARG 48 1.574 -8.479 -2.520 400 HA ARG 48 HA ARG 48 3.391 -6.373 -2.554 401 HB2 ARG 48 HB3 ARG 48 3.872 -8.863 -2.789 402 HB3 ARG 48 HB2 ARG 48 3.466 -8.687 -4.491 403 HG2 ARG 48 HG3 ARG 48 5.263 -7.041 -4.743 404 HG3 ARG 48 HG2 ARG 48 5.676 -7.241 -3.039 405 HD2 ARG 48 HD3 ARG 48 5.892 -9.756 -3.662 406 HD3 ARG 48 HD2 ARG 48 6.024 -9.154 -5.314 407 HE ARG 48 HE ARG 48 7.826 -8.209 -3.183 408 HH11 ARG 48 HH11 ARG 48 7.336 -9.562 -6.375 409 HH12 ARG 48 HH12 ARG 48 9.022 -9.542 -6.780 410 HH21 ARG 48 HH22 ARG 48 10.044 -8.219 -3.682 411 HH22 ARG 48 HH21 ARG 48 10.569 -8.790 -5.246 412 H GLU 49 H GLU 49 1.221 -7.535 -5.076 413 HA GLU 49 HA GLU 49 2.099 -5.922 -7.185 414 HB2 GLU 49 HB3 GLU 49 0.554 -7.808 -7.472 415 HB3 GLU 49 HB2 GLU 49 -0.695 -6.923 -6.608 416 HG2 GLU 49 HG3 GLU 49 -0.564 -5.172 -8.387 417 HG3 GLU 49 HG2 GLU 49 0.506 -6.252 -9.280 418 H PHE 50 H PHE 50 -0.677 -5.358 -4.999 419 HA PHE 50 HA PHE 50 -1.211 -2.786 -6.033 420 HB2 PHE 50 HB3 PHE 50 -2.134 -4.293 -3.622 421 HB3 PHE 50 HB2 PHE 50 -2.503 -2.578 -3.765 422 HD1 PHE 50 HD2 PHE 50 -2.821 -2.521 -6.779 423 HD2 PHE 50 HD1 PHE 50 -4.331 -5.163 -3.802 424 HE1 PHE 50 HE2 PHE 50 -4.751 -3.025 -8.215 425 HE2 PHE 50 HE1 PHE 50 -6.267 -5.674 -5.237 426 HZ PHE 50 HZ PHE 50 -6.479 -4.597 -7.446 427 H ILE 51 H ILE 51 0.730 -3.865 -3.278 428 HA ILE 51 HA ILE 51 1.218 -1.303 -2.223 429 HB ILE 51 HB ILE 51 2.918 -3.791 -2.113 430 HG12 ILE 51 HG13 ILE 51 0.858 -4.019 -0.876 431 HG13 ILE 51 HG12 ILE 51 2.166 -3.778 0.280 432 HG21 ILE 51 HG21 ILE 51 4.368 -1.856 -1.910 433 HG22 ILE 51 HG22 ILE 51 4.207 -2.667 -0.351 434 HG23 ILE 51 HG23 ILE 51 3.319 -1.176 -0.665 435 HD11 ILE 51 HD11 ILE 51 0.178 -2.525 0.896 436 HD12 ILE 51 HD12 ILE 51 0.229 -1.669 -0.645 437 HD13 ILE 51 HD13 ILE 51 1.525 -1.446 0.529 438 H GLN 52 H GLN 52 2.975 -3.239 -4.625 439 HA GLN 52 HA GLN 52 5.041 -1.378 -5.095 440 HB2 GLN 52 HB3 GLN 52 5.228 -3.726 -5.755 441 HB3 GLN 52 HB2 GLN 52 3.924 -3.521 -6.915 442 HG2 GLN 52 HG3 GLN 52 6.100 -3.536 -8.003 443 HG3 GLN 52 HG2 GLN 52 5.287 -1.988 -8.213 444 HE21 GLN 52 HE22 GLN 52 7.220 -0.921 -8.629 445 HE22 GLN 52 HE21 GLN 52 8.377 -0.599 -7.384 446 H SER 53 H SER 53 1.851 -1.811 -6.531 447 HA SER 53 HA SER 53 2.043 -0.021 -8.656 448 HB2 SER 53 HB3 SER 53 0.104 -1.461 -8.395 449 HB3 SER 53 HB2 SER 53 -0.325 -0.671 -6.879 450 HG SER 53 HG SER 53 -0.524 0.303 -9.522 451 H PHE 54 H PHE 54 1.149 0.563 -5.279 452 HA PHE 54 HA PHE 54 0.667 3.319 -5.496 453 HB2 PHE 54 HB3 PHE 54 -0.014 1.925 -3.565 454 HB3 PHE 54 HB2 PHE 54 1.674 1.770 -3.096 455 HD1 PHE 54 HD2 PHE 54 -1.084 4.195 -3.528 456 HD2 PHE 54 HD1 PHE 54 2.727 3.422 -1.800 457 HE1 PHE 54 HE2 PHE 54 -1.281 6.248 -2.185 458 HE2 PHE 54 HE1 PHE 54 2.538 5.470 -0.454 459 HZ PHE 54 HZ PHE 54 0.533 6.888 -0.646 460 H ILE 55 H ILE 55 3.618 1.521 -4.705 461 HA ILE 55 HA ILE 55 5.218 3.819 -4.205 462 HB ILE 55 HB ILE 55 6.198 1.083 -5.037 463 HG12 ILE 55 HG13 ILE 55 5.574 2.122 -2.263 464 HG13 ILE 55 HG12 ILE 55 4.645 0.908 -3.135 465 HG21 ILE 55 HG21 ILE 55 8.199 1.702 -3.761 466 HG22 ILE 55 HG22 ILE 55 7.497 3.288 -3.439 467 HG23 ILE 55 HG23 ILE 55 7.899 2.821 -5.092 468 HD11 ILE 55 HD11 ILE 55 7.500 0.621 -2.228 469 HD12 ILE 55 HD12 ILE 55 6.563 -0.594 -3.095 470 HD13 ILE 55 HD13 ILE 55 6.084 -0.109 -1.468 471 H GLU 56 H GLU 56 4.468 1.942 -7.056 472 HA GLU 56 HA GLU 56 6.554 2.915 -8.709 473 HB2 GLU 56 HB3 GLU 56 5.165 0.826 -9.054 474 HB3 GLU 56 HB2 GLU 56 3.867 1.872 -9.608 475 HG2 GLU 56 HG3 GLU 56 5.050 0.947 -11.489 476 HG3 GLU 56 HG2 GLU 56 5.315 2.688 -11.412 477 H ARG 57 H ARG 57 3.372 4.102 -7.889 478 HA ARG 57 HA ARG 57 3.277 5.960 -10.074 479 HB2 ARG 57 HB3 ARG 57 1.549 5.692 -7.614 480 HB3 ARG 57 HB2 ARG 57 1.240 6.828 -8.924 481 HG2 ARG 57 HG3 ARG 57 1.119 4.931 -10.496 482 HG3 ARG 57 HG2 ARG 57 1.325 3.828 -9.139 483 HD2 ARG 57 HD3 ARG 57 -0.746 4.657 -8.148 484 HD3 ARG 57 HD2 ARG 57 -0.945 5.781 -9.495 485 HE ARG 57 HE ARG 57 -1.020 2.838 -9.745 486 HH11 ARG 57 HH11 ARG 57 -2.021 6.038 -10.771 487 HH12 ARG 57 HH12 ARG 57 -3.026 5.441 -12.058 488 HH21 ARG 57 HH22 ARG 57 -2.353 2.057 -11.418 489 HH22 ARG 57 HH21 ARG 57 -3.250 3.177 -12.405 490 H ASP 58 H ASP 58 4.675 6.006 -6.937 491 HA ASP 58 HA ASP 58 4.869 8.862 -6.712 492 HB2 ASP 58 HB3 ASP 58 5.175 7.236 -4.791 493 HB3 ASP 58 HB2 ASP 58 6.724 6.795 -5.507 494 H ASP 59 H ASP 59 6.799 6.260 -8.029 495 HA ASP 59 HA ASP 59 9.052 7.786 -8.811 496 HB2 ASP 59 HB3 ASP 59 9.050 5.311 -8.606 497 HB3 ASP 59 HB2 ASP 59 7.991 5.216 -10.007 498 H THR 60 H THR 60 5.891 7.431 -10.085 499 HA THR 60 HA THR 60 6.384 8.079 -12.781 500 HB THR 60 HB THR 60 3.901 8.728 -11.179 501 HG1 THR 60 HG1 THR 60 5.011 6.367 -11.665 502 HG21 THR 60 HG21 THR 60 3.967 9.771 -13.400 503 HG22 THR 60 HG22 THR 60 2.751 8.496 -13.333 504 HG23 THR 60 HG23 THR 60 4.296 8.198 -14.130 505 H GLU 61 H GLU 61 6.122 10.021 -9.874 506 HA GLU 61 HA GLU 61 6.183 12.521 -11.346 507 HB2 GLU 61 HB3 GLU 61 5.013 12.344 -9.168 508 HB3 GLU 61 HB2 GLU 61 6.545 11.973 -8.389 509 HG2 GLU 61 HG3 GLU 61 7.397 14.170 -8.989 510 HG3 GLU 61 HG2 GLU 61 5.883 14.542 -9.811 511 H LEU 62 H LEU 62 8.317 10.302 -9.795 512 HA LEU 62 HA LEU 62 10.642 11.897 -9.658 513 HB2 LEU 62 HB3 LEU 62 10.294 9.847 -8.366 514 HB3 LEU 62 HB2 LEU 62 10.285 8.905 -9.840 515 HG LEU 62 HG LEU 62 12.636 9.360 -10.201 516 HD11 LEU 62 HD11 LEU 62 13.957 10.602 -8.575 517 HD12 LEU 62 HD12 LEU 62 12.497 10.978 -7.660 518 HD13 LEU 62 HD13 LEU 62 12.712 11.629 -9.286 519 HD21 LEU 62 HD21 LEU 62 13.532 8.212 -8.203 520 HD22 LEU 62 HD22 LEU 62 12.066 7.454 -8.831 521 HD23 LEU 62 HD23 LEU 62 11.984 8.472 -7.393 522 H ASP 63 H ASP 63 9.522 9.498 -12.039 523 HA ASP 63 HA ASP 63 11.693 9.974 -13.829 524 HB2 ASP 63 HB3 ASP 63 10.491 7.840 -13.834 525 HB3 ASP 63 HB2 ASP 63 9.013 8.660 -14.328 526 H GLU 64 H GLU 64 8.665 11.523 -13.253 527 HA GLU 64 HA GLU 64 8.332 12.850 -15.715 528 HB2 GLU 64 HB3 GLU 64 6.820 12.748 -13.561 529 HB3 GLU 64 HB2 GLU 64 7.709 14.190 -13.102 530 HG2 GLU 64 HG3 GLU 64 6.207 13.917 -15.693 531 HG3 GLU 64 HG2 GLU 64 5.501 14.573 -14.219 532 H LEU 65 H LEU 65 10.180 13.626 -12.805 533 HA LEU 65 HA LEU 65 11.357 16.025 -13.764 534 HB2 LEU 65 HB3 LEU 65 12.476 14.059 -11.760 535 HB3 LEU 65 HB2 LEU 65 12.956 15.734 -11.949 536 HG LEU 65 HG LEU 65 10.219 14.828 -11.053 537 HD11 LEU 65 HD11 LEU 65 10.913 15.591 -8.833 538 HD12 LEU 65 HD12 LEU 65 12.535 15.907 -9.449 539 HD13 LEU 65 HD13 LEU 65 11.917 14.256 -9.399 540 HD21 LEU 65 HD21 LEU 65 10.206 16.992 -12.171 541 HD22 LEU 65 HD22 LEU 65 11.507 17.555 -11.120 542 HD23 LEU 65 HD23 LEU 65 9.924 17.180 -10.440 543 H LYS 66 H LYS 66 12.209 12.634 -13.913 544 HA LYS 66 HA LYS 66 14.863 13.006 -14.847 545 HB2 LYS 66 HB3 LYS 66 14.078 11.022 -13.593 546 HB3 LYS 66 HB2 LYS 66 13.109 10.550 -14.979 547 HG2 LYS 66 HG3 LYS 66 14.970 9.988 -16.246 548 HG3 LYS 66 HG2 LYS 66 16.064 10.934 -15.235 549 HD2 LYS 66 HD3 LYS 66 16.385 8.563 -14.831 550 HD3 LYS 66 HD2 LYS 66 15.723 9.343 -13.396 551 HE2 LYS 66 HE3 LYS 66 14.655 7.186 -13.814 552 HE3 LYS 66 HE2 LYS 66 13.501 8.511 -13.956 553 HZ1 LYS 66 HZ1 LYS 66 14.863 7.544 -16.374 554 HZ2 LYS 66 HZ2 LYS 66 13.325 8.244 -16.205 555 HZ3 LYS 66 HZ3 LYS 66 13.582 6.634 -15.736 556 H LYS 67 H LYS 67 11.768 12.662 -16.441 557 HA LYS 67 HA LYS 67 12.679 12.140 -19.056 558 HB2 LYS 67 HB3 LYS 67 10.210 13.481 -17.986 559 HB3 LYS 67 HB2 LYS 67 10.507 13.370 -19.712 560 HG2 LYS 67 HG3 LYS 67 10.609 10.900 -19.479 561 HG3 LYS 67 HG2 LYS 67 10.144 11.088 -17.784 562 HD2 LYS 67 HD3 LYS 67 8.070 12.131 -18.414 563 HD3 LYS 67 HD2 LYS 67 8.548 12.151 -20.111 564 HE2 LYS 67 HE3 LYS 67 7.005 10.359 -19.799 565 HE3 LYS 67 HE2 LYS 67 8.604 9.661 -20.051 566 HZ1 LYS 67 HZ1 LYS 67 8.806 9.287 -17.689 567 HZ2 LYS 67 HZ2 LYS 67 7.379 8.578 -18.259 568 HZ3 LYS 67 HZ3 LYS 67 7.311 10.036 -17.398 569 H LYS 68 H LYS 68 12.813 14.994 -17.143 570 HA LYS 68 HA LYS 68 12.753 16.845 -19.337 571 HB2 LYS 68 HB3 LYS 68 13.563 17.285 -16.460 572 HB3 LYS 68 HB2 LYS 68 13.205 18.541 -17.639 573 HG2 LYS 68 HG3 LYS 68 10.906 17.646 -17.823 574 HG3 LYS 68 HG2 LYS 68 11.288 16.505 -16.534 575 HD2 LYS 68 HD3 LYS 68 11.803 18.426 -15.054 576 HD3 LYS 68 HD2 LYS 68 11.284 19.514 -16.344 577 HE2 LYS 68 HE3 LYS 68 9.610 17.456 -14.915 578 HE3 LYS 68 HE2 LYS 68 9.469 19.208 -14.794 579 HZ1 LYS 68 HZ1 LYS 68 9.064 17.707 -17.321 580 HZ2 LYS 68 HZ2 LYS 68 8.709 19.336 -17.028 581 HZ3 LYS 68 HZ3 LYS 68 7.805 18.119 -16.269 582 H ARG 69 H ARG 69 15.213 15.595 -17.161 583 HA ARG 69 HA ARG 69 17.424 15.708 -17.027 584 HB2 ARG 69 HB3 ARG 69 18.741 15.026 -18.944 585 HB3 ARG 69 HB2 ARG 69 17.311 14.041 -18.741 586 HG2 ARG 69 HG3 ARG 69 17.162 16.295 -20.660 587 HG3 ARG 69 HG2 ARG 69 18.141 14.897 -21.099 588 HD2 ARG 69 HD3 ARG 69 16.075 13.512 -20.435 589 HD3 ARG 69 HD2 ARG 69 15.198 15.038 -20.537 590 HE ARG 69 HE ARG 69 16.649 13.776 -22.779 591 HH11 ARG 69 HH11 ARG 69 14.072 15.830 -21.564 592 HH12 ARG 69 HH12 ARG 69 13.338 16.041 -23.123 593 HH21 ARG 69 HH22 ARG 69 15.652 14.030 -24.821 594 HH22 ARG 69 HH21 ARG 69 14.221 15.020 -24.966 595 H ARG 70 H ARG 70 16.847 17.725 -19.918 596 HA ARG 70 HA ARG 70 18.636 19.689 -18.645 597 HB2 ARG 70 HB3 ARG 70 19.550 18.734 -20.763 598 HB3 ARG 70 HB2 ARG 70 18.151 19.383 -21.614 599 HG2 ARG 70 HG3 ARG 70 18.817 21.654 -20.827 600 HG3 ARG 70 HG2 ARG 70 20.293 20.938 -20.180 601 HD2 ARG 70 HD3 ARG 70 19.432 20.884 -23.070 602 HD3 ARG 70 HD2 ARG 70 20.633 21.974 -22.382 603 HE ARG 70 HE ARG 70 20.945 19.113 -22.898 604 HH11 ARG 70 HH11 ARG 70 22.309 22.044 -21.519 605 HH12 ARG 70 HH12 ARG 70 23.954 21.493 -21.685 606 HH21 ARG 70 HH22 ARG 70 23.105 18.417 -23.116 607 HH22 ARG 70 HH21 ARG 70 24.404 19.453 -22.605 608 H SER 71 H SER 71 15.757 19.234 -20.617 609 HA SER 71 HA SER 71 14.971 21.940 -20.723 610 HB2 SER 71 HB3 SER 71 13.200 19.491 -20.847 611 HB3 SER 71 HB2 SER 71 12.843 21.089 -21.501 612 HG SER 71 HG SER 71 13.587 19.610 -23.100 613 H ASN 72 H ASN 72 13.891 23.184 -19.311 614 HA ASN 72 HA ASN 72 12.767 23.914 -17.473 615 HB2 ASN 72 HB3 ASN 72 11.226 21.950 -17.939 616 HB3 ASN 72 HB2 ASN 72 12.172 21.028 -16.780 617 HD21 ASN 72 HD22 ASN 72 9.362 21.722 -16.703 618 HD22 ASN 72 HD21 ASN 72 9.123 22.610 -15.235 619 H ARG 73 H ARG 73 14.985 21.268 -17.171 620 HA ARG 73 HA ARG 73 16.794 20.919 -15.873 621 HB2 ARG 73 HB3 ARG 73 16.134 23.565 -14.575 622 HB3 ARG 73 HB2 ARG 73 17.614 22.646 -14.331 623 HG2 ARG 73 HG3 ARG 73 18.403 23.108 -16.460 624 HG3 ARG 73 HG2 ARG 73 16.797 23.513 -17.073 625 HD2 ARG 73 HD3 ARG 73 18.448 25.120 -15.129 626 HD3 ARG 73 HD2 ARG 73 18.096 25.531 -16.808 627 HE ARG 73 HE ARG 73 15.927 25.263 -14.834 628 HH11 ARG 73 HH11 ARG 73 17.658 27.140 -17.233 629 HH12 ARG 73 HH12 ARG 73 16.503 28.445 -17.215 630 HH21 ARG 73 HH22 ARG 73 14.413 26.965 -14.810 631 HH22 ARG 73 HH21 ARG 73 14.665 28.349 -15.838 632 HA PRO 74 HA PRO 74 14.176 18.926 -12.790 633 HB2 PRO 74 HB2 PRO 74 15.936 16.879 -12.346 634 HB3 PRO 74 HB3 PRO 74 14.768 16.897 -13.672 635 HG2 PRO 74 HG3 PRO 74 17.680 17.584 -13.702 636 HG3 PRO 74 HG2 PRO 74 16.734 16.662 -14.884 637 HD2 PRO 74 HD3 PRO 74 17.403 19.241 -15.282 638 HD3 PRO 74 HD2 PRO 74 15.869 18.563 -15.866 639 HA PRO 75 HA PRO 75 16.053 20.789 -9.219 640 HB2 PRO 75 HB2 PRO 75 14.368 18.860 -7.733 641 HB3 PRO 75 HB3 PRO 75 14.413 20.625 -7.634 642 HG2 PRO 75 HG3 PRO 75 12.375 19.364 -8.818 643 HG3 PRO 75 HG2 PRO 75 13.002 20.897 -9.452 644 HD2 PRO 75 HD3 PRO 75 13.448 18.111 -10.443 645 HD3 PRO 75 HD2 PRO 75 13.201 19.611 -11.363 646 H SER 76 H SER 76 18.069 20.224 -8.764 647 HA SER 76 HA SER 76 19.106 17.643 -8.859 648 HB2 SER 76 HB3 SER 76 21.072 18.747 -7.613 649 HB3 SER 76 HB2 SER 76 20.626 19.403 -9.188 650 HG SER 76 HG SER 76 20.324 21.240 -8.225 651 H ASN 77 H ASN 77 17.762 19.454 -6.160 652 HA ASN 77 HA ASN 77 18.602 17.423 -4.265 653 HB2 ASN 77 HB3 ASN 77 18.527 19.804 -3.591 654 HB3 ASN 77 HB2 ASN 77 16.783 19.803 -3.839 655 HD21 ASN 77 HD22 ASN 77 16.324 20.301 -1.718 656 HD22 ASN 77 HD21 ASN 77 16.557 19.173 -0.422 657 H ARG 78 H ARG 78 15.503 18.642 -5.550 658 HA ARG 78 HA ARG 78 13.865 16.905 -4.104 659 HB2 ARG 78 HB3 ARG 78 13.476 18.509 -6.584 660 HB3 ARG 78 HB2 ARG 78 12.276 17.293 -6.176 661 HG2 ARG 78 HG3 ARG 78 12.007 18.364 -3.960 662 HG3 ARG 78 HG2 ARG 78 13.119 19.632 -4.480 663 HD2 ARG 78 HD3 ARG 78 11.627 20.359 -6.183 664 HD3 ARG 78 HD2 ARG 78 10.599 18.941 -5.975 665 HE ARG 78 HE ARG 78 10.587 20.195 -3.529 666 HH11 ARG 78 HH11 ARG 78 9.708 21.101 -6.814 667 HH12 ARG 78 HH12 ARG 78 8.482 22.227 -6.303 668 HH21 ARG 78 HH22 ARG 78 8.971 21.650 -2.873 669 HH22 ARG 78 HH21 ARG 78 8.074 22.553 -4.058 670 H GLN 79 H GLN 79 15.312 16.461 -7.334 671 HA GLN 79 HA GLN 79 13.939 14.073 -7.931 672 HB2 GLN 79 HB3 GLN 79 15.142 15.355 -9.643 673 HB3 GLN 79 HB2 GLN 79 16.673 14.963 -8.871 674 HG2 GLN 79 HG3 GLN 79 16.278 12.583 -9.326 675 HG3 GLN 79 HG2 GLN 79 14.770 13.002 -10.136 676 HE21 GLN 79 HE22 GLN 79 17.147 11.651 -11.166 677 HE22 GLN 79 HE21 GLN 79 17.688 12.599 -12.505 678 H VAL 80 H VAL 80 17.104 14.631 -6.424 679 HA VAL 80 HA VAL 80 17.722 11.878 -6.112 680 HB VAL 80 HB VAL 80 18.800 14.272 -4.608 681 HG11 VAL 80 HG11 VAL 80 19.884 11.459 -4.781 682 HG12 VAL 80 HG12 VAL 80 19.163 12.204 -3.355 683 HG13 VAL 80 HG13 VAL 80 20.681 12.827 -4.003 684 HG21 VAL 80 HG21 VAL 80 20.711 14.061 -6.134 685 HG22 VAL 80 HG22 VAL 80 19.211 14.388 -7.002 686 HG23 VAL 80 HG23 VAL 80 19.881 12.755 -6.981 687 H LEU 81 H LEU 81 16.283 14.301 -3.963 688 HA LEU 81 HA LEU 81 16.089 12.664 -1.687 689 HB2 LEU 81 HB3 LEU 81 15.835 15.127 -1.680 690 HB3 LEU 81 HB2 LEU 81 14.292 14.952 -2.492 691 HG LEU 81 HG LEU 81 13.405 13.740 -0.536 692 HD11 LEU 81 HD11 LEU 81 15.491 12.780 0.278 693 HD12 LEU 81 HD12 LEU 81 14.682 13.699 1.547 694 HD13 LEU 81 HD13 LEU 81 16.074 14.387 0.711 695 HD21 LEU 81 HD21 LEU 81 13.097 16.153 -0.710 696 HD22 LEU 81 HD22 LEU 81 14.634 16.419 0.111 697 HD23 LEU 81 HD23 LEU 81 13.294 15.664 0.973 698 H LEU 82 H LEU 82 13.823 13.243 -4.358 699 HA LEU 82 HA LEU 82 11.741 11.613 -3.334 700 HB2 LEU 82 HB3 LEU 82 11.385 13.322 -5.056 701 HB3 LEU 82 HB2 LEU 82 12.376 12.415 -6.179 702 HG LEU 82 HG LEU 82 10.721 10.627 -6.243 703 HD11 LEU 82 HD11 LEU 82 8.546 10.902 -5.149 704 HD12 LEU 82 HD12 LEU 82 9.144 12.350 -4.338 705 HD13 LEU 82 HD13 LEU 82 9.859 10.779 -3.977 706 HD21 LEU 82 HD21 LEU 82 10.499 12.463 -7.820 707 HD22 LEU 82 HD22 LEU 82 9.520 13.359 -6.658 708 HD23 LEU 82 HD23 LEU 82 8.912 11.853 -7.345 709 H GLN 83 H GLN 83 14.420 11.001 -5.569 710 HA GLN 83 HA GLN 83 13.904 8.328 -6.163 711 HB2 GLN 83 HB3 GLN 83 15.613 9.598 -7.323 712 HB3 GLN 83 HB2 GLN 83 16.544 9.767 -5.842 713 HG2 GLN 83 HG3 GLN 83 16.993 7.393 -5.812 714 HG3 GLN 83 HG2 GLN 83 15.977 7.159 -7.234 715 HE21 GLN 83 HE22 GLN 83 18.841 6.614 -6.760 716 HE22 GLN 83 HE21 GLN 83 19.678 7.458 -8.023 717 H GLN 84 H GLN 84 15.826 9.689 -3.490 718 HA GLN 84 HA GLN 84 16.369 7.150 -2.307 719 HB2 GLN 84 HB3 GLN 84 16.542 9.938 -1.155 720 HB3 GLN 84 HB2 GLN 84 17.136 8.490 -0.354 721 HG2 GLN 84 HG3 GLN 84 18.688 8.114 -2.217 722 HG3 GLN 84 HG2 GLN 84 18.112 9.597 -2.977 723 HE21 GLN 84 HE22 GLN 84 20.779 8.869 -2.050 724 HE22 GLN 84 HE21 GLN 84 21.240 10.091 -0.918 725 H ARG 85 H ARG 85 13.764 9.416 -2.097 726 HA ARG 85 HA ARG 85 12.615 8.535 0.328 727 HB2 ARG 85 HB3 ARG 85 12.025 10.624 -1.032 728 HB3 ARG 85 HB2 ARG 85 11.064 9.558 -2.050 729 HG2 ARG 85 HG3 ARG 85 10.158 8.873 0.404 730 HG3 ARG 85 HG2 ARG 85 10.540 10.578 0.647 731 HD2 ARG 85 HD3 ARG 85 8.252 10.396 -0.056 732 HD3 ARG 85 HD2 ARG 85 9.190 11.111 -1.367 733 HE ARG 85 HE ARG 85 8.630 9.325 -2.676 734 HH11 ARG 85 HH11 ARG 85 8.214 8.396 0.671 735 HH12 ARG 85 HH12 ARG 85 7.528 6.839 0.301 736 HH21 ARG 85 HH22 ARG 85 7.739 7.309 -3.180 737 HH22 ARG 85 HH21 ARG 85 7.249 6.231 -1.902 738 H ARG 86 H ARG 86 12.047 7.629 -3.064 739 HA ARG 86 HA ARG 86 10.223 5.537 -2.468 740 HB2 ARG 86 HB3 ARG 86 10.434 6.581 -4.725 741 HB3 ARG 86 HB2 ARG 86 12.000 5.793 -4.905 742 HG2 ARG 86 HG3 ARG 86 10.883 3.605 -4.631 743 HG3 ARG 86 HG2 ARG 86 9.332 4.439 -4.581 744 HD2 ARG 86 HD3 ARG 86 9.842 5.360 -6.845 745 HD3 ARG 86 HD2 ARG 86 11.275 4.327 -6.881 746 HE ARG 86 HE ARG 86 8.755 2.999 -6.343 747 HH11 ARG 86 HH11 ARG 86 11.137 3.872 -8.753 748 HH12 ARG 86 HH12 ARG 86 10.609 2.670 -9.885 749 HH21 ARG 86 HH22 ARG 86 8.071 1.416 -7.828 750 HH22 ARG 86 HH21 ARG 86 8.843 1.294 -9.376 751 H ASP 87 H ASP 87 13.703 5.735 -2.797 752 HA ASP 87 HA ASP 87 14.399 3.044 -2.724 753 HB2 ASP 87 HB3 ASP 87 16.045 4.801 -3.089 754 HB3 ASP 87 HB2 ASP 87 15.786 5.422 -1.464 755 H GLN 88 H GLN 88 13.833 5.285 -0.017 756 HA GLN 88 HA GLN 88 14.185 3.390 2.041 757 HB2 GLN 88 HB3 GLN 88 14.135 5.865 2.378 758 HB3 GLN 88 HB2 GLN 88 12.397 5.829 2.102 759 HG2 GLN 88 HG3 GLN 88 12.298 4.153 4.014 760 HG3 GLN 88 HG2 GLN 88 13.953 4.641 4.372 761 HE21 GLN 88 HE22 GLN 88 11.597 4.912 6.002 762 HE22 GLN 88 HE21 GLN 88 11.415 6.598 6.330 763 H GLU 89 H GLU 89 11.326 4.463 0.267 764 HA GLU 89 HA GLU 89 9.350 3.098 1.684 765 HB2 GLU 89 HB3 GLU 89 9.150 4.823 -0.227 766 HB3 GLU 89 HB2 GLU 89 9.301 3.448 -1.308 767 HG2 GLU 89 HG3 GLU 89 7.010 3.818 -1.125 768 HG3 GLU 89 HG2 GLU 89 7.325 2.453 -0.056 769 H LEU 90 H LEU 90 11.305 2.070 -1.086 770 HA LEU 90 HA LEU 90 10.151 -0.500 -1.350 771 HB2 LEU 90 HB3 LEU 90 12.827 0.580 -2.227 772 HB3 LEU 90 HB2 LEU 90 12.230 -1.011 -2.659 773 HG LEU 90 HG LEU 90 10.881 1.587 -3.398 774 HD11 LEU 90 HD11 LEU 90 12.555 -0.280 -5.074 775 HD12 LEU 90 HD12 LEU 90 13.024 1.334 -4.538 776 HD13 LEU 90 HD13 LEU 90 11.679 1.134 -5.660 777 HD21 LEU 90 HD21 LEU 90 10.346 -1.253 -4.262 778 HD22 LEU 90 HD22 LEU 90 9.531 0.188 -4.875 779 HD23 LEU 90 HD23 LEU 90 9.333 -0.287 -3.188 780 H LYS 91 H LYS 91 13.126 0.625 0.252 781 HA LYS 91 HA LYS 91 14.000 -1.908 1.101 782 HB2 LYS 91 HB3 LYS 91 15.450 0.078 1.088 783 HB3 LYS 91 HB2 LYS 91 14.495 0.784 2.386 784 HG2 LYS 91 HG3 LYS 91 15.155 -1.038 3.871 785 HG3 LYS 91 HG2 LYS 91 16.111 -1.753 2.570 786 HD2 LYS 91 HD3 LYS 91 17.499 0.258 2.489 787 HD3 LYS 91 HD2 LYS 91 16.542 0.973 3.787 788 HE2 LYS 91 HE3 LYS 91 17.223 -0.821 5.291 789 HE3 LYS 91 HE2 LYS 91 18.157 -1.567 3.993 790 HZ1 LYS 91 HZ1 LYS 91 19.572 0.372 3.918 791 HZ2 LYS 91 HZ2 LYS 91 19.547 -0.258 5.494 792 HZ3 LYS 91 HZ3 LYS 91 18.652 1.136 5.123 793 H GLU 92 H GLU 92 11.813 0.431 2.549 794 HA GLU 92 HA GLU 92 11.555 -0.829 5.072 795 HB2 GLU 92 HB3 GLU 92 10.834 1.537 4.362 796 HB3 GLU 92 HB2 GLU 92 9.389 0.771 3.717 797 HG2 GLU 92 HG3 GLU 92 8.859 1.587 5.872 798 HG3 GLU 92 HG2 GLU 92 8.975 -0.169 5.993 799 H PHE 93 H PHE 93 9.832 -1.114 2.023 800 HA PHE 93 HA PHE 93 7.863 -2.949 2.964 801 HB2 PHE 93 HB3 PHE 93 7.475 -1.506 1.029 802 HB3 PHE 93 HB2 PHE 93 8.796 -2.280 0.164 803 HD1 PHE 93 HD1 PHE 93 5.851 -3.548 2.086 804 HD2 PHE 93 HD2 PHE 93 8.027 -3.534 -1.572 805 HE1 PHE 93 HE1 PHE 93 4.261 -5.169 1.136 806 HE2 PHE 93 HE2 PHE 93 6.441 -5.153 -2.527 807 HZ PHE 93 HZ PHE 93 4.557 -5.973 -1.172 808 H LYS 94 H LYS 94 11.069 -3.229 1.661 809 HA LYS 94 HA LYS 94 10.950 -6.031 1.104 810 HB2 LYS 94 HB3 LYS 94 12.534 -4.630 -0.071 811 HB3 LYS 94 HB2 LYS 94 13.264 -4.111 1.437 812 HG2 LYS 94 HG3 LYS 94 13.297 -7.016 0.880 813 HG3 LYS 94 HG2 LYS 94 14.319 -5.991 -0.131 814 HD2 LYS 94 HD3 LYS 94 15.333 -5.038 1.905 815 HD3 LYS 94 HD2 LYS 94 14.342 -6.118 2.886 816 HE2 LYS 94 HE3 LYS 94 16.365 -7.001 0.830 817 HE3 LYS 94 HE2 LYS 94 16.646 -6.949 2.569 818 HZ1 LYS 94 HZ1 LYS 94 16.076 -9.167 1.934 819 HZ2 LYS 94 HZ2 LYS 94 14.670 -8.644 1.141 820 HZ3 LYS 94 HZ3 LYS 94 14.786 -8.526 2.827 821 H ALA 95 H ALA 95 11.972 -4.059 3.838 822 HA ALA 95 HA ALA 95 12.972 -6.314 5.327 823 HB1 ALA 95 HB1 ALA 95 12.411 -3.492 6.235 824 HB2 ALA 95 HB2 ALA 95 13.948 -4.088 5.609 825 HB3 ALA 95 HB3 ALA 95 13.315 -4.712 7.132 826 H GLY 96 H GLY 96 10.047 -4.340 5.301 827 HA2 GLY 96 HA3 GLY 96 8.113 -5.978 5.978 828 HA3 GLY 96 HA2 GLY 96 8.939 -5.885 7.526 829 H PHE 97 H PHE 97 6.534 -4.569 5.650 830 HA PHE 97 HA PHE 97 6.599 -2.038 7.162 831 HB2 PHE 97 HB3 PHE 97 6.866 -1.799 4.680 832 HB3 PHE 97 HB2 PHE 97 5.273 -2.525 4.480 833 HD1 PHE 97 HD2 PHE 97 7.072 0.374 5.890 834 HD2 PHE 97 HD1 PHE 97 3.315 -1.237 4.710 835 HE1 PHE 97 HE2 PHE 97 6.043 2.590 6.159 836 HE2 PHE 97 HE1 PHE 97 2.279 0.977 4.981 837 HZ PHE 97 HZ PHE 97 3.644 2.893 5.705 838 H LEU 98 H LEU 98 4.556 -1.209 7.868 839 HA LEU 98 HA LEU 98 2.808 -3.198 8.907 840 HB2 LEU 98 HB3 LEU 98 3.339 -1.011 10.001 841 HB3 LEU 98 HB2 LEU 98 2.390 -0.210 8.765 842 HG LEU 98 HG LEU 98 0.398 -1.512 9.542 843 HD11 LEU 98 HD11 LEU 98 2.249 -2.271 11.799 844 HD12 LEU 98 HD12 LEU 98 1.577 -3.366 10.589 845 HD13 LEU 98 HD13 LEU 98 0.511 -2.566 11.746 846 HD21 LEU 98 HD21 LEU 98 0.040 -0.151 11.545 847 HD22 LEU 98 HD22 LEU 98 0.766 0.793 10.245 848 HD23 LEU 98 HD23 LEU 98 1.760 0.236 11.591 849 H CYS 99 H CYS 99 1.700 -4.324 7.389 850 HA CYS 99 HA CYS 99 -0.123 -2.788 5.660 851 HB2 CYS 99 HB3 CYS 99 1.250 -5.369 4.874 852 HB3 CYS 99 HB2 CYS 99 0.200 -4.384 3.863 853 HG CYS 99 HG CYS 99 3.371 -3.655 4.896 854 HA PRO 100 HA PRO 100 -3.137 -5.342 7.634 855 HB2 PRO 100 HB2 PRO 100 -5.249 -4.930 6.008 856 HB3 PRO 100 HB3 PRO 100 -4.634 -3.684 7.100 857 HG2 PRO 100 HG3 PRO 100 -4.205 -4.013 4.163 858 HG3 PRO 100 HG2 PRO 100 -4.491 -2.533 5.096 859 HD2 PRO 100 HD3 PRO 100 -2.013 -3.351 4.248 860 HD3 PRO 100 HD2 PRO 100 -2.282 -2.322 5.669 861 H ASP 101 H ASP 101 -3.976 -7.365 7.542 862 HA ASP 101 HA ASP 101 -3.146 -9.130 5.466 863 HB2 ASP 101 HB3 ASP 101 -3.336 -10.006 7.688 864 HB3 ASP 101 HB2 ASP 101 -5.012 -9.484 7.814 865 H LEU 102 H LEU 102 -4.049 -9.260 3.541 866 HA LEU 102 HA LEU 102 -6.714 -8.219 3.112 867 HB2 LEU 102 HB3 LEU 102 -4.665 -9.303 1.190 868 HB3 LEU 102 HB2 LEU 102 -6.219 -8.648 0.715 869 HG LEU 102 HG LEU 102 -3.910 -7.162 1.953 870 HD11 LEU 102 HD11 LEU 102 -4.059 -5.875 -0.140 871 HD12 LEU 102 HD12 LEU 102 -5.338 -6.960 -0.692 872 HD13 LEU 102 HD13 LEU 102 -3.710 -7.581 -0.418 873 HD21 LEU 102 HD21 LEU 102 -5.320 -5.166 1.850 874 HD22 LEU 102 HD22 LEU 102 -5.997 -6.367 2.949 875 HD23 LEU 102 HD23 LEU 102 -6.690 -6.154 1.342 876 H SER 103 H SER 103 -5.356 -11.272 3.736 877 HA SER 103 HA SER 103 -7.210 -12.679 1.983 878 HB2 SER 103 HB3 SER 103 -6.000 -14.733 2.866 879 HB3 SER 103 HB2 SER 103 -5.028 -13.604 1.931 880 HG SER 103 HG SER 103 -4.930 -12.909 4.534 881 H ASP 104 H ASP 104 -7.981 -11.152 4.449 882 HA ASP 104 HA ASP 104 -9.523 -13.335 5.652 883 HB2 ASP 104 HB3 ASP 104 -7.787 -12.550 7.223 884 HB3 ASP 104 HB2 ASP 104 -8.452 -10.921 7.119 885 H ALA 105 H ALA 105 -11.650 -13.078 5.553 886 HA ALA 105 HA ALA 105 -12.723 -10.814 4.176 887 HB1 ALA 105 HB1 ALA 105 -13.616 -13.077 3.863 888 HB2 ALA 105 HB2 ALA 105 -14.867 -11.950 4.390 889 HB3 ALA 105 HB3 ALA 105 -14.164 -13.089 5.540 890 H LYS 106 H LYS 106 -12.428 -11.766 7.499 891 HA LYS 106 HA LYS 106 -14.398 -10.010 8.573 892 HB2 LYS 106 HB3 LYS 106 -11.953 -10.860 10.097 893 HB3 LYS 106 HB2 LYS 106 -13.597 -10.642 10.680 894 HG2 LYS 106 HG3 LYS 106 -14.297 -12.674 9.567 895 HG3 LYS 106 HG2 LYS 106 -12.682 -12.879 8.883 896 HD2 LYS 106 HD3 LYS 106 -11.815 -12.928 11.252 897 HD3 LYS 106 HD2 LYS 106 -13.496 -13.019 11.779 898 HE2 LYS 106 HE3 LYS 106 -12.640 -15.244 11.711 899 HE3 LYS 106 HE2 LYS 106 -13.748 -15.055 10.353 900 HZ1 LYS 106 HZ1 LYS 106 -11.739 -16.214 9.692 901 HZ2 LYS 106 HZ2 LYS 106 -10.781 -14.914 10.207 902 HZ3 LYS 106 HZ3 LYS 106 -11.834 -14.718 8.898 903 H ASN 107 H ASN 107 -10.975 -9.808 7.843 904 HA ASN 107 HA ASN 107 -10.563 -7.242 9.007 905 HB2 ASN 107 HB3 ASN 107 -8.810 -9.042 8.362 906 HB3 ASN 107 HB2 ASN 107 -8.894 -8.324 6.755 907 HD21 ASN 107 HD22 ASN 107 -6.829 -7.518 6.777 908 HD22 ASN 107 HD21 ASN 107 -6.346 -6.212 7.810 909 H MET 108 H MET 108 -11.344 -8.377 5.740 910 HA MET 108 HA MET 108 -11.333 -5.884 4.464 911 HB2 MET 108 HB3 MET 108 -12.879 -8.412 3.964 912 HB3 MET 108 HB2 MET 108 -13.130 -6.981 2.975 913 HG2 MET 108 HG3 MET 108 -10.511 -8.412 3.357 914 HG3 MET 108 HG2 MET 108 -11.559 -8.530 1.943 915 HE1 MET 108 HE1 MET 108 -8.444 -7.753 1.822 916 HE2 MET 108 HE2 MET 108 -8.481 -6.439 0.644 917 HE3 MET 108 HE3 MET 108 -9.465 -7.883 0.390 918 H GLU 109 H GLU 109 -13.752 -7.430 6.495 919 HA GLU 109 HA GLU 109 -15.824 -5.577 6.173 920 HB2 GLU 109 HB3 GLU 109 -16.147 -7.645 7.428 921 HB3 GLU 109 HB2 GLU 109 -15.004 -7.107 8.652 922 HG2 GLU 109 HG3 GLU 109 -16.513 -5.230 9.186 923 HG3 GLU 109 HG2 GLU 109 -17.671 -5.865 8.020 924 H PHE 110 H PHE 110 -13.082 -5.593 8.448 925 HA PHE 110 HA PHE 110 -13.657 -3.165 9.716 926 HB2 PHE 110 HB3 PHE 110 -11.067 -4.633 9.276 927 HB3 PHE 110 HB2 PHE 110 -11.131 -3.110 10.156 928 HD1 PHE 110 HD2 PHE 110 -12.689 -2.984 12.172 929 HD2 PHE 110 HD1 PHE 110 -11.485 -6.641 10.365 930 HE1 PHE 110 HE2 PHE 110 -13.281 -4.190 14.231 931 HE2 PHE 110 HE1 PHE 110 -12.074 -7.855 12.422 932 HZ PHE 110 HZ PHE 110 -12.973 -6.629 14.359 933 H LEU 111 H LEU 111 -11.976 -3.802 6.678 934 HA LEU 111 HA LEU 111 -11.050 -1.179 6.229 935 HB2 LEU 111 HB3 LEU 111 -11.689 -3.488 4.439 936 HB3 LEU 111 HB2 LEU 111 -11.359 -1.918 3.732 937 HG LEU 111 HG LEU 111 -9.467 -3.406 5.556 938 HD11 LEU 111 HD11 LEU 111 -8.146 -3.788 3.531 939 HD12 LEU 111 HD12 LEU 111 -9.425 -3.056 2.561 940 HD13 LEU 111 HD13 LEU 111 -9.727 -4.562 3.429 941 HD21 LEU 111 HD21 LEU 111 -7.850 -1.725 4.835 942 HD22 LEU 111 HD22 LEU 111 -9.222 -0.979 5.652 943 HD23 LEU 111 HD23 LEU 111 -9.102 -0.916 3.893 944 H ARG 112 H ARG 112 -14.175 -2.687 5.717 945 HA ARG 112 HA ARG 112 -15.264 -0.359 4.409 946 HB2 ARG 112 HB3 ARG 112 -16.574 -2.849 5.508 947 HB3 ARG 112 HB2 ARG 112 -17.451 -1.562 4.688 948 HG2 ARG 112 HG3 ARG 112 -16.005 -1.915 2.704 949 HG3 ARG 112 HG2 ARG 112 -15.284 -3.296 3.530 950 HD2 ARG 112 HD3 ARG 112 -17.364 -4.464 3.551 951 HD3 ARG 112 HD2 ARG 112 -18.234 -3.036 2.984 952 HE ARG 112 HE ARG 112 -16.382 -3.513 1.037 953 HH11 ARG 112 HH11 ARG 112 -18.945 -5.402 2.510 954 HH12 ARG 112 HH12 ARG 112 -19.219 -6.357 1.086 955 HH21 ARG 112 HH22 ARG 112 -16.757 -4.783 -0.831 956 HH22 ARG 112 HH21 ARG 112 -17.990 -6.009 -0.800 957 H ASN 113 H ASN 113 -14.401 -0.926 7.534 958 HA ASN 113 HA ASN 113 -16.517 0.811 8.608 959 HB2 ASN 113 HB3 ASN 113 -14.519 -0.977 10.002 960 HB3 ASN 113 HB2 ASN 113 -15.510 0.199 10.858 961 HD21 ASN 113 HD22 ASN 113 -17.757 -0.134 10.983 962 HD22 ASN 113 HD21 ASN 113 -18.441 -1.710 10.733 963 H TRP 114 H TRP 114 -13.102 0.582 7.970 964 HA TRP 114 HA TRP 114 -12.239 2.723 9.586 965 HB2 TRP 114 HB3 TRP 114 -10.716 1.012 8.638 966 HB3 TRP 114 HB2 TRP 114 -10.987 1.684 7.034 967 HD1 TRP 114 HD1 TRP 114 -9.817 3.130 10.454 968 HE1 TRP 114 HE1 TRP 114 -7.845 4.724 10.004 969 HE3 TRP 114 HE3 TRP 114 -9.586 2.718 5.369 970 HZ2 TRP 114 HZ2 TRP 114 -6.385 5.674 7.791 971 HZ3 TRP 114 HZ3 TRP 114 -7.871 4.001 4.159 972 HH2 TRP 114 HH2 TRP 114 -6.305 5.448 5.346 973 H ASN 115 H ASN 115 -12.430 4.826 9.359 974 HA ASN 115 HA ASN 115 -13.103 5.922 6.711 975 HB2 ASN 115 HB3 ASN 115 -14.624 7.489 7.748 976 HB3 ASN 115 HB2 ASN 115 -15.069 5.863 8.248 977 HD21 ASN 115 HD22 ASN 115 -15.684 8.376 9.508 978 HD22 ASN 115 HD21 ASN 115 -15.025 8.310 11.107 979 H GLY 116 H GLY 116 -10.664 5.694 8.674 980 HA2 GLY 116 HA3 GLY 116 -8.790 7.242 8.220 981 HA3 GLY 116 HA2 GLY 116 -9.924 8.551 8.521 982 H THR 117 H THR 117 -11.010 6.664 10.729 983 HA THR 117 HA THR 117 -9.822 7.869 12.931 984 HB THR 117 HB THR 117 -11.223 5.188 12.826 985 HG1 THR 117 HG1 THR 117 -12.703 6.624 12.109 986 HG21 THR 117 HG21 THR 117 -10.802 7.096 15.131 987 HG22 THR 117 HG22 THR 117 -10.025 5.525 14.933 988 HG23 THR 117 HG23 THR 117 -11.768 5.621 15.179 989 H PHE 118 H PHE 118 -7.948 7.580 13.949 990 HA PHE 118 HA PHE 118 -6.004 5.810 12.854 991 HB2 PHE 118 HB3 PHE 118 -5.849 7.543 15.327 992 HB3 PHE 118 HB2 PHE 118 -4.485 6.776 14.520 993 HD1 PHE 118 HD2 PHE 118 -3.724 7.573 12.335 994 HD2 PHE 118 HD1 PHE 118 -6.859 9.524 14.451 995 HE1 PHE 118 HE2 PHE 118 -3.469 9.547 10.887 996 HE2 PHE 118 HE1 PHE 118 -6.609 11.500 13.007 997 HZ PHE 118 HZ PHE 118 -4.914 11.512 11.222 998 H GLY 119 H GLY 119 -7.984 5.792 15.751 999 HA2 GLY 119 HA3 GLY 119 -6.627 3.700 17.103 1000 HA3 GLY 119 HA2 GLY 119 -8.288 4.199 17.384 1001 H LEU 120 H LEU 120 -8.660 3.672 14.365 1002 HA LEU 120 HA LEU 120 -9.701 1.017 14.735 1003 HB2 LEU 120 HB3 LEU 120 -10.633 3.088 13.381 1004 HB3 LEU 120 HB2 LEU 120 -9.660 2.412 12.094 1005 HG LEU 120 HG LEU 120 -11.676 0.700 13.516 1006 HD11 LEU 120 HD11 LEU 120 -12.216 2.556 11.202 1007 HD12 LEU 120 HD12 LEU 120 -12.875 2.705 12.832 1008 HD13 LEU 120 HD13 LEU 120 -13.325 1.332 11.820 1009 HD21 LEU 120 HD21 LEU 120 -11.741 -0.442 11.341 1010 HD22 LEU 120 HD22 LEU 120 -10.113 -0.419 12.023 1011 HD23 LEU 120 HD23 LEU 120 -10.541 0.691 10.720 1012 H LEU 121 H LEU 121 -6.747 2.302 13.735 1013 HA LEU 121 HA LEU 121 -6.046 0.270 11.828 1014 HB2 LEU 121 HB3 LEU 121 -4.477 2.385 13.271 1015 HB3 LEU 121 HB2 LEU 121 -3.655 1.129 12.369 1016 HG LEU 121 HG LEU 121 -3.789 3.050 10.972 1017 HD11 LEU 121 HD11 LEU 121 -4.155 0.936 9.838 1018 HD12 LEU 121 HD12 LEU 121 -5.083 2.225 9.071 1019 HD13 LEU 121 HD13 LEU 121 -5.890 1.064 10.126 1020 HD21 LEU 121 HD21 LEU 121 -5.882 4.138 10.385 1021 HD22 LEU 121 HD22 LEU 121 -5.594 4.210 12.123 1022 HD23 LEU 121 HD23 LEU 121 -6.758 3.058 11.471 1023 H ASN 122 H ASN 122 -6.483 0.240 15.098 1024 HA ASN 122 HA ASN 122 -4.545 -1.911 15.534 1025 HB2 ASN 122 HB3 ASN 122 -6.292 -0.377 17.470 1026 HB3 ASN 122 HB2 ASN 122 -5.253 -1.720 17.932 1027 HD21 ASN 122 HD22 ASN 122 -3.132 -1.015 16.091 1028 HD22 ASN 122 HD21 ASN 122 -2.357 0.382 16.750 1029 H THR 123 H THR 123 -7.897 -1.272 15.054 1030 HA THR 123 HA THR 123 -8.720 -3.929 15.874 1031 HB THR 123 HB THR 123 -10.973 -3.228 15.160 1032 HG1 THR 123 HG1 THR 123 -10.608 -1.843 13.471 1033 HG21 THR 123 HG21 THR 123 -10.152 -2.642 17.420 1034 HG22 THR 123 HG22 THR 123 -11.315 -1.469 16.800 1035 HG23 THR 123 HG23 THR 123 -9.591 -1.092 16.789 1036 H LEU 124 H LEU 124 -8.135 -2.055 12.979 1037 HA LEU 124 HA LEU 124 -8.635 -4.127 11.090 1038 HB2 LEU 124 HB3 LEU 124 -7.739 -1.410 11.105 1039 HB3 LEU 124 HB2 LEU 124 -6.565 -2.357 10.217 1040 HG LEU 124 HG LEU 124 -9.517 -2.320 9.584 1041 HD11 LEU 124 HD11 LEU 124 -7.238 -0.790 8.332 1042 HD12 LEU 124 HD12 LEU 124 -8.583 -0.107 9.247 1043 HD13 LEU 124 HD13 LEU 124 -8.880 -0.882 7.692 1044 HD21 LEU 124 HD21 LEU 124 -7.128 -3.336 8.048 1045 HD22 LEU 124 HD22 LEU 124 -8.792 -3.304 7.463 1046 HD23 LEU 124 HD23 LEU 124 -8.358 -4.327 8.833 1047 H ARG 125 H ARG 125 -7.297 -5.810 10.502 1048 HA ARG 125 HA ARG 125 -5.033 -6.280 12.222 1049 HB2 ARG 125 HB3 ARG 125 -6.005 -7.962 9.910 1050 HB3 ARG 125 HB2 ARG 125 -4.839 -8.448 11.132 1051 HG2 ARG 125 HG3 ARG 125 -6.846 -7.848 12.750 1052 HG3 ARG 125 HG2 ARG 125 -7.784 -8.211 11.301 1053 HD2 ARG 125 HD3 ARG 125 -5.847 -10.011 12.738 1054 HD3 ARG 125 HD2 ARG 125 -7.588 -10.220 12.575 1055 HE ARG 125 HE ARG 125 -5.951 -10.244 10.145 1056 HH11 ARG 125 HH11 ARG 125 -7.989 -11.922 12.435 1057 HH12 ARG 125 HH12 ARG 125 -8.066 -13.384 11.500 1058 HH21 ARG 125 HH22 ARG 125 -6.025 -12.184 8.892 1059 HH22 ARG 125 HH21 ARG 125 -6.916 -13.546 9.513 1060 H LEU 126 H LEU 126 -3.803 -4.434 11.495 1061 HA LEU 126 HA LEU 126 -2.372 -4.873 8.986 1062 HB2 LEU 126 HB3 LEU 126 -2.463 -2.619 10.959 1063 HB3 LEU 126 HB2 LEU 126 -1.092 -2.770 9.878 1064 HG LEU 126 HG LEU 126 -2.789 -2.768 7.973 1065 HD11 LEU 126 HD11 LEU 126 -4.562 -1.704 10.162 1066 HD12 LEU 126 HD12 LEU 126 -4.778 -3.226 9.297 1067 HD13 LEU 126 HD13 LEU 126 -4.924 -1.693 8.436 1068 HD21 LEU 126 HD21 LEU 126 -2.931 -0.330 7.971 1069 HD22 LEU 126 HD22 LEU 126 -1.332 -0.886 8.465 1070 HD23 LEU 126 HD23 LEU 126 -2.475 -0.300 9.674 1071 H ILE 127 H ILE 127 -0.657 -6.115 8.973 1072 HA ILE 127 HA ILE 127 0.769 -6.560 11.512 1073 HB ILE 127 HB ILE 127 1.452 -8.753 10.565 1074 HG12 ILE 127 HG13 ILE 127 -0.547 -8.079 8.390 1075 HG13 ILE 127 HG12 ILE 127 1.196 -8.184 8.176 1076 HG21 ILE 127 HG21 ILE 127 -0.443 -8.596 12.085 1077 HG22 ILE 127 HG22 ILE 127 -0.709 -9.857 10.883 1078 HG23 ILE 127 HG23 ILE 127 -1.526 -8.302 10.724 1079 HD11 ILE 127 HD11 ILE 127 -0.629 -10.450 8.946 1080 HD12 ILE 127 HD12 ILE 127 1.119 -10.559 8.733 1081 HD13 ILE 127 HD13 ILE 127 0.085 -10.176 7.356 1082 H ARG 128 H ARG 128 3.032 -7.750 10.650 1083 HA ARG 128 HA ARG 128 4.343 -5.581 9.190 1084 HB2 ARG 128 HB3 ARG 128 5.626 -7.899 10.654 1085 HB3 ARG 128 HB2 ARG 128 6.420 -6.437 10.084 1086 HG2 ARG 128 HG3 ARG 128 5.082 -5.117 11.675 1087 HG3 ARG 128 HG2 ARG 128 4.359 -6.609 12.274 1088 HD2 ARG 128 HD3 ARG 128 7.257 -5.795 12.418 1089 HD3 ARG 128 HD2 ARG 128 6.126 -5.952 13.760 1090 HE ARG 128 HE ARG 128 7.166 -8.204 12.165 1091 HH11 ARG 128 HH11 ARG 128 5.847 -6.913 15.152 1092 HH12 ARG 128 HH12 ARG 128 6.116 -8.383 16.044 1093 HH21 ARG 128 HH22 ARG 128 7.518 -10.121 13.337 1094 HH22 ARG 128 HH21 ARG 128 7.039 -10.217 15.005 1095 H ILE 129 H ILE 129 4.244 -5.896 7.062 1096 HA ILE 129 HA ILE 129 4.568 -8.636 6.022 1097 HB ILE 129 HB ILE 129 2.905 -6.326 5.064 1098 HG12 ILE 129 HG13 ILE 129 2.284 -9.229 5.637 1099 HG13 ILE 129 HG12 ILE 129 1.877 -7.857 6.662 1100 HG21 ILE 129 HG21 ILE 129 3.640 -8.767 3.459 1101 HG22 ILE 129 HG22 ILE 129 4.074 -7.096 3.097 1102 HG23 ILE 129 HG23 ILE 129 2.386 -7.604 3.024 1103 HD11 ILE 129 HD11 ILE 129 -0.060 -8.627 5.432 1104 HD12 ILE 129 HD12 ILE 129 0.793 -8.393 3.905 1105 HD13 ILE 129 HD13 ILE 129 0.395 -7.003 4.914 1106 H ASN 130 H ASN 130 6.213 -9.028 4.681 1107 HA ASN 130 HA ASN 130 7.566 -6.711 3.469 1108 HB2 ASN 130 HB3 ASN 130 9.670 -7.714 3.731 1109 HB3 ASN 130 HB2 ASN 130 8.858 -8.045 5.254 1110 HD21 ASN 130 HD22 ASN 130 10.163 -9.381 2.350 1111 HD22 ASN 130 HD21 ASN 130 10.026 -11.043 2.805 1112 H ASP 131 H ASP 131 8.130 -6.806 1.375 1113 HA ASP 131 HA ASP 131 7.896 -7.318 -0.824 1114 HB2 ASP 131 HB3 ASP 131 9.049 -9.749 0.440 1115 HB3 ASP 131 HB2 ASP 131 8.588 -9.834 -1.256 1116 H LYS 132 H LYS 132 7.164 -10.641 -0.309 1117 HA LYS 132 HA LYS 132 4.865 -10.276 -2.038 1118 HB2 LYS 132 HB3 LYS 132 6.641 -11.930 -2.543 1119 HB3 LYS 132 HB2 LYS 132 6.236 -12.795 -1.072 1120 HG2 LYS 132 HG3 LYS 132 4.076 -13.380 -1.950 1121 HG3 LYS 132 HG2 LYS 132 4.353 -12.387 -3.385 1122 HD2 LYS 132 HD3 LYS 132 5.932 -13.852 -4.250 1123 HD3 LYS 132 HD2 LYS 132 6.273 -14.569 -2.675 1124 HE2 LYS 132 HE3 LYS 132 3.700 -14.906 -4.211 1125 HE3 LYS 132 HE2 LYS 132 5.018 -16.079 -4.173 1126 HZ1 LYS 132 HZ1 LYS 132 3.404 -16.736 -2.574 1127 HZ2 LYS 132 HZ2 LYS 132 3.343 -15.188 -1.892 1128 HZ3 LYS 132 HZ3 LYS 132 4.735 -16.137 -1.718 1129 H GLY 133 H GLY 133 4.250 -9.238 0.338 1130 HA2 GLY 133 HA3 GLY 133 2.516 -9.219 1.836 1131 HA3 GLY 133 HA2 GLY 133 1.835 -10.552 0.921 1132 H GLU 134 H GLU 134 4.985 -10.789 2.437 1133 HA GLU 134 HA GLU 134 3.903 -13.054 3.940 1134 HB2 GLU 134 HB3 GLU 134 5.973 -13.158 2.391 1135 HB3 GLU 134 HB2 GLU 134 6.819 -12.359 3.710 1136 HG2 GLU 134 HG3 GLU 134 7.094 -14.800 3.732 1137 HG3 GLU 134 HG2 GLU 134 6.326 -14.185 5.197 1138 H GLN 135 H GLN 135 3.931 -13.190 6.130 1139 HA GLN 135 HA GLN 135 4.194 -10.714 7.561 1140 HB2 GLN 135 HB3 GLN 135 2.395 -12.327 8.080 1141 HB3 GLN 135 HB2 GLN 135 3.603 -13.492 8.603 1142 HG2 GLN 135 HG3 GLN 135 4.274 -12.046 10.412 1143 HG3 GLN 135 HG2 GLN 135 3.168 -10.793 9.857 1144 HE21 GLN 135 HE22 GLN 135 3.328 -12.164 12.423 1145 HE22 GLN 135 HE21 GLN 135 1.765 -12.881 12.680 1146 H VAL 136 H VAL 136 5.904 -9.995 8.574 1147 HA VAL 136 HA VAL 136 8.330 -11.560 8.624 1148 HB VAL 136 HB VAL 136 7.911 -8.798 9.768 1149 HG11 VAL 136 HG11 VAL 136 10.308 -8.540 9.324 1150 HG12 VAL 136 HG12 VAL 136 10.371 -10.205 8.745 1151 HG13 VAL 136 HG13 VAL 136 9.983 -9.873 10.433 1152 HG21 VAL 136 HG21 VAL 136 8.634 -9.550 6.938 1153 HG22 VAL 136 HG22 VAL 136 8.672 -7.917 7.604 1154 HG23 VAL 136 HG23 VAL 136 7.138 -8.777 7.465 1155 H VAL 137 H VAL 137 8.305 -13.107 10.171 1156 HA VAL 137 HA VAL 137 7.224 -12.651 12.783 1157 HB VAL 137 HB VAL 137 8.280 -14.877 13.324 1158 HG11 VAL 137 HG11 VAL 137 5.953 -14.689 12.642 1159 HG12 VAL 137 HG12 VAL 137 6.673 -16.151 11.968 1160 HG13 VAL 137 HG13 VAL 137 6.430 -14.735 10.944 1161 HG21 VAL 137 HG21 VAL 137 8.931 -14.847 10.378 1162 HG22 VAL 137 HG22 VAL 137 9.073 -16.241 11.449 1163 HG23 VAL 137 HG23 VAL 137 10.099 -14.826 11.701 1164 H GLY 138 H GLY 138 10.459 -12.848 11.411 1165 HA2 GLY 138 HA3 GLY 138 12.462 -12.000 12.170 1166 HA3 GLY 138 HA2 GLY 138 11.555 -11.123 13.396 1167 H GLY 139 H GLY 139 12.891 -11.575 15.120 1168 HA2 GLY 139 HA3 GLY 139 13.439 -14.389 15.726 1169 HA3 GLY 139 HA2 GLY 139 14.171 -12.998 16.515 1170 H ASN 140 H ASN 140 10.737 -13.341 15.949 1171 HA ASN 140 HA ASN 140 10.335 -13.841 18.818 1172 HB2 ASN 140 HB3 ASN 140 9.932 -11.463 18.386 1173 HB3 ASN 140 HB2 ASN 140 8.797 -11.873 17.107 1174 HD21 ASN 140 HD22 ASN 140 9.027 -13.599 20.157 1175 HD22 ASN 140 HD21 ASN 140 7.492 -13.086 20.768 1176 H GLU 141 H GLU 141 9.914 -15.995 18.444 1177 HA GLU 141 HA GLU 141 7.328 -16.525 17.142 1178 HB2 GLU 141 HB3 GLU 141 9.756 -18.320 17.299 1179 HB3 GLU 141 HB2 GLU 141 8.172 -18.852 16.756 1180 HG2 GLU 141 HG3 GLU 141 8.268 -17.265 14.907 1181 HG3 GLU 141 HG2 GLU 141 9.855 -16.724 15.455 Start of MODEL 10 1 H MET 1 H MET 1 1.400 12.978 34.554 2 HA MET 1 HA MET 1 -0.312 10.583 34.857 3 HB2 MET 1 HB3 MET 1 2.132 10.146 35.064 4 HB3 MET 1 HB2 MET 1 2.214 11.360 36.331 5 HG2 MET 1 HG3 MET 1 0.750 10.034 37.736 6 HG3 MET 1 HG2 MET 1 0.581 8.835 36.454 7 HE1 MET 1 HE1 MET 1 2.749 6.942 39.114 8 HE2 MET 1 HE2 MET 1 1.260 6.932 38.170 9 HE3 MET 1 HE3 MET 1 1.477 8.114 39.461 10 H ARG 2 H ARG 2 1.322 12.711 37.202 11 HA ARG 2 HA ARG 2 -1.331 13.577 38.128 12 HB2 ARG 2 HB3 ARG 2 0.560 12.653 39.698 13 HB3 ARG 2 HB2 ARG 2 1.232 14.271 39.531 14 HG2 ARG 2 HG3 ARG 2 -0.834 15.229 40.388 15 HG3 ARG 2 HG2 ARG 2 -1.528 13.614 40.533 16 HD2 ARG 2 HD3 ARG 2 0.552 13.133 42.006 17 HD3 ARG 2 HD2 ARG 2 0.652 14.891 42.132 18 HE ARG 2 HE ARG 2 -1.894 13.582 42.759 19 HH11 ARG 2 HH11 ARG 2 0.931 15.357 43.870 20 HH12 ARG 2 HH12 ARG 2 0.269 15.629 45.459 21 HH21 ARG 2 HH22 ARG 2 -2.740 13.942 44.838 22 HH22 ARG 2 HH21 ARG 2 -1.804 14.825 46.006 23 H GLU 3 H GLU 3 1.668 14.581 36.757 24 HA GLU 3 HA GLU 3 0.529 17.229 36.187 25 HB2 GLU 3 HB3 GLU 3 3.211 17.437 35.595 26 HB3 GLU 3 HB2 GLU 3 2.453 17.996 37.078 27 HG2 GLU 3 HG3 GLU 3 4.407 16.735 37.630 28 HG3 GLU 3 HG2 GLU 3 2.985 15.825 38.127 29 H ASP 4 H ASP 4 2.598 17.664 34.131 30 HA ASP 4 HA ASP 4 1.094 16.630 31.953 31 HB2 ASP 4 HB3 ASP 4 3.698 18.150 32.057 32 HB3 ASP 4 HB2 ASP 4 2.922 17.676 30.549 33 H LYS 5 H LYS 5 4.614 16.318 32.360 34 HA LYS 5 HA LYS 5 6.098 14.732 31.718 35 HB2 LYS 5 HB3 LYS 5 3.750 12.837 31.921 36 HB3 LYS 5 HB2 LYS 5 5.414 12.342 31.657 37 HG2 LYS 5 HG3 LYS 5 5.949 13.523 33.840 38 HG3 LYS 5 HG2 LYS 5 4.204 13.582 34.103 39 HD2 LYS 5 HD3 LYS 5 4.146 11.109 33.797 40 HD3 LYS 5 HD2 LYS 5 5.908 11.122 33.724 41 HE2 LYS 5 HE3 LYS 5 4.139 11.869 36.040 42 HE3 LYS 5 HE2 LYS 5 5.306 10.551 35.949 43 HZ1 LYS 5 HZ1 LYS 5 7.082 12.208 35.804 44 HZ2 LYS 5 HZ2 LYS 5 6.186 12.369 37.236 45 HZ3 LYS 5 HZ3 LYS 5 5.937 13.456 35.959 46 H ILE 6 H ILE 6 4.002 16.065 29.858 47 HA ILE 6 HA ILE 6 4.472 14.367 27.507 48 HB ILE 6 HB ILE 6 2.527 16.672 27.764 49 HG12 ILE 6 HG13 ILE 6 1.981 13.693 27.839 50 HG13 ILE 6 HG12 ILE 6 1.922 14.764 29.234 51 HG21 ILE 6 HG21 ILE 6 3.265 16.272 25.484 52 HG22 ILE 6 HG22 ILE 6 1.585 15.770 25.680 53 HG23 ILE 6 HG23 ILE 6 2.868 14.560 25.635 54 HD11 ILE 6 HD11 ILE 6 0.084 15.998 28.196 55 HD12 ILE 6 HD12 ILE 6 -0.302 14.290 28.403 56 HD13 ILE 6 HD13 ILE 6 0.142 14.908 26.812 57 H ALA 7 H ALA 7 6.177 14.951 26.370 58 HA ALA 7 HA ALA 7 6.807 17.814 26.134 59 HB1 ALA 7 HB1 ALA 7 8.775 15.529 26.251 60 HB2 ALA 7 HB2 ALA 7 8.457 16.682 27.546 61 HB3 ALA 7 HB3 ALA 7 9.177 17.231 26.033 62 H ALA 8 H ALA 8 8.248 18.201 24.164 63 HA ALA 8 HA ALA 8 6.856 17.316 21.856 64 HB1 ALA 8 HB1 ALA 8 7.901 19.524 21.981 65 HB2 ALA 8 HB2 ALA 8 8.509 18.608 20.603 66 HB3 ALA 8 HB3 ALA 8 9.494 18.771 22.058 67 H LYS 9 H LYS 9 7.273 15.690 20.483 68 HA LYS 9 HA LYS 9 9.100 13.654 21.227 69 HB2 LYS 9 HB3 LYS 9 7.442 14.058 18.735 70 HB3 LYS 9 HB2 LYS 9 8.445 12.638 19.005 71 HG2 LYS 9 HG3 LYS 9 7.161 12.145 21.046 72 HG3 LYS 9 HG2 LYS 9 6.129 13.536 20.711 73 HD2 LYS 9 HD3 LYS 9 5.344 12.526 18.669 74 HD3 LYS 9 HD2 LYS 9 6.489 11.193 18.844 75 HE2 LYS 9 HE3 LYS 9 5.361 10.497 20.904 76 HE3 LYS 9 HE2 LYS 9 4.219 11.828 20.728 77 HZ1 LYS 9 HZ1 LYS 9 4.559 9.717 18.670 78 HZ2 LYS 9 HZ2 LYS 9 3.301 10.852 18.802 79 HZ3 LYS 9 HZ3 LYS 9 3.435 9.596 19.936 80 H LYS 10 H LYS 10 11.021 13.044 20.341 81 HA LYS 10 HA LYS 10 12.582 15.183 19.187 82 HB2 LYS 10 HB3 LYS 10 13.379 12.366 19.954 83 HB3 LYS 10 HB2 LYS 10 14.480 13.685 19.579 84 HG2 LYS 10 HG3 LYS 10 13.766 14.900 21.531 85 HG3 LYS 10 HG2 LYS 10 12.535 13.684 21.878 86 HD2 LYS 10 HD3 LYS 10 14.309 12.005 22.180 87 HD3 LYS 10 HD2 LYS 10 15.523 13.252 21.881 88 HE2 LYS 10 HE3 LYS 10 14.755 14.489 23.831 89 HE3 LYS 10 HE2 LYS 10 13.497 13.288 24.115 90 HZ1 LYS 10 HZ1 LYS 10 15.441 12.972 25.543 91 HZ2 LYS 10 HZ2 LYS 10 16.418 12.738 24.173 92 HZ3 LYS 10 HZ3 LYS 10 15.178 11.635 24.534 93 H LYS 11 H LYS 11 10.556 14.089 17.481 94 HA LYS 11 HA LYS 11 12.132 12.615 15.474 95 HB2 LYS 11 HB3 LYS 11 9.134 12.621 15.877 96 HB3 LYS 11 HB2 LYS 11 10.010 11.694 14.670 97 HG2 LYS 11 HG3 LYS 11 11.073 10.382 16.411 98 HG3 LYS 11 HG2 LYS 11 10.264 11.347 17.649 99 HD2 LYS 11 HD3 LYS 11 8.091 10.600 16.816 100 HD3 LYS 11 HD2 LYS 11 8.891 9.651 15.563 101 HE2 LYS 11 HE3 LYS 11 9.146 9.244 18.541 102 HE3 LYS 11 HE2 LYS 11 8.203 8.248 17.434 103 HZ1 LYS 11 HZ1 LYS 11 10.376 7.846 16.239 104 HZ2 LYS 11 HZ2 LYS 11 10.213 7.115 17.764 105 HZ3 LYS 11 HZ3 LYS 11 11.146 8.516 17.594 106 H LEU 12 H LEU 12 11.987 13.268 13.313 107 HA LEU 12 HA LEU 12 11.241 15.999 12.836 108 HB2 LEU 12 HB3 LEU 12 12.084 13.826 10.915 109 HB3 LEU 12 HB2 LEU 12 11.886 15.516 10.492 110 HG LEU 12 HG LEU 12 13.909 14.430 12.454 111 HD11 LEU 12 HD11 LEU 12 14.245 15.500 9.657 112 HD12 LEU 12 HD12 LEU 12 14.435 13.820 10.161 113 HD13 LEU 12 HD13 LEU 12 15.552 15.051 10.752 114 HD21 LEU 12 HD21 LEU 12 13.490 17.225 11.400 115 HD22 LEU 12 HD22 LEU 12 14.827 16.699 12.422 116 HD23 LEU 12 HD23 LEU 12 13.177 16.676 13.046 117 H HIS 13 H HIS 13 9.795 12.902 12.490 118 HA HIS 13 HA HIS 13 7.252 14.153 11.829 119 HB2 HIS 13 HB3 HIS 13 8.480 11.880 10.249 120 HB3 HIS 13 HB2 HIS 13 6.752 12.201 10.253 121 HD1 HIS 13 HD1 HIS 13 5.934 14.345 9.023 122 HD2 HIS 13 HD2 HIS 13 10.020 13.619 8.697 123 HE1 HIS 13 HE1 HIS 13 6.751 15.858 7.185 124 HE2 HIS 13 HE2 HIS 13 9.194 15.292 6.898 125 H GLN 14 H GLN 14 5.450 12.865 12.572 126 HA GLN 14 HA GLN 14 6.102 11.600 15.029 127 HB2 GLN 14 HB3 GLN 14 3.675 11.261 15.282 128 HB3 GLN 14 HB2 GLN 14 4.088 12.917 14.865 129 HG2 GLN 14 HG3 GLN 14 3.362 12.610 12.617 130 HG3 GLN 14 HG2 GLN 14 3.162 10.875 12.864 131 HE21 GLN 14 HE22 GLN 14 1.243 12.942 12.031 132 HE22 GLN 14 HE21 GLN 14 -0.069 12.838 13.153 133 H ASP 15 H ASP 15 4.826 9.546 15.623 134 HA ASP 15 HA ASP 15 6.201 7.403 14.535 135 HB2 ASP 15 HB3 ASP 15 3.571 7.268 16.026 136 HB3 ASP 15 HB2 ASP 15 4.779 5.993 15.904 137 H LYS 16 H LYS 16 2.668 7.885 14.273 138 HA LYS 16 HA LYS 16 2.693 6.162 11.912 139 HB2 LYS 16 HB3 LYS 16 0.315 7.238 13.439 140 HB3 LYS 16 HB2 LYS 16 0.269 6.046 12.148 141 HG2 LYS 16 HG3 LYS 16 0.230 4.578 13.835 142 HG3 LYS 16 HG2 LYS 16 1.974 4.849 13.868 143 HD2 LYS 16 HD3 LYS 16 1.574 6.671 15.535 144 HD3 LYS 16 HD2 LYS 16 -0.118 6.172 15.591 145 HE2 LYS 16 HE3 LYS 16 0.743 3.854 16.175 146 HE3 LYS 16 HE2 LYS 16 2.314 4.613 16.428 147 HZ1 LYS 16 HZ1 LYS 16 1.008 6.187 17.963 148 HZ2 LYS 16 HZ2 LYS 16 1.361 4.622 18.525 149 HZ3 LYS 16 HZ3 LYS 16 -0.188 4.988 17.937 150 H ARG 17 H ARG 17 2.242 6.878 9.912 151 HA ARG 17 HA ARG 17 1.777 9.783 9.650 152 HB2 ARG 17 HB3 ARG 17 3.479 8.000 7.894 153 HB3 ARG 17 HB2 ARG 17 3.226 9.727 7.670 154 HG2 ARG 17 HG3 ARG 17 4.804 10.249 9.148 155 HG3 ARG 17 HG2 ARG 17 4.190 9.091 10.332 156 HD2 ARG 17 HD3 ARG 17 5.958 8.451 7.973 157 HD3 ARG 17 HD2 ARG 17 6.472 8.540 9.659 158 HE ARG 17 HE ARG 17 4.414 6.707 9.597 159 HH11 ARG 17 HH11 ARG 17 7.574 6.996 8.117 160 HH12 ARG 17 HH12 ARG 17 7.800 5.274 7.980 161 HH21 ARG 17 HH22 ARG 17 4.715 4.470 9.426 162 HH22 ARG 17 HH21 ARG 17 6.188 3.853 8.728 163 H VAL 18 H VAL 18 1.562 9.786 6.841 164 HA VAL 18 HA VAL 18 -1.032 8.466 6.510 165 HB VAL 18 HB VAL 18 0.300 10.465 4.664 166 HG11 VAL 18 HG11 VAL 18 -1.424 9.150 3.574 167 HG12 VAL 18 HG12 VAL 18 -1.973 10.810 3.800 168 HG13 VAL 18 HG13 VAL 18 -2.562 9.533 4.865 169 HG21 VAL 18 HG21 VAL 18 -0.039 11.473 6.851 170 HG22 VAL 18 HG22 VAL 18 -1.727 10.963 6.839 171 HG23 VAL 18 HG23 VAL 18 -1.159 12.154 5.670 172 H HIS 19 H HIS 19 2.191 7.996 5.870 173 HA HIS 19 HA HIS 19 2.300 7.016 3.252 174 HB2 HIS 19 HB3 HIS 19 4.246 7.573 4.759 175 HB3 HIS 19 HB2 HIS 19 3.953 6.053 5.597 176 HD1 HIS 19 HD1 HIS 19 5.724 4.446 4.880 177 HD2 HIS 19 HD2 HIS 19 4.320 6.788 1.729 178 HE1 HIS 19 HE1 HIS 19 6.935 3.640 2.830 179 HE2 HIS 19 HE2 HIS 19 6.197 5.185 0.970 180 H GLU 20 H GLU 20 1.531 5.483 6.296 181 HA GLU 20 HA GLU 20 1.261 2.851 5.135 182 HB2 GLU 20 HB3 GLU 20 0.356 3.658 7.890 183 HB3 GLU 20 HB2 GLU 20 0.939 2.094 7.343 184 HG2 GLU 20 HG3 GLU 20 2.755 2.792 8.512 185 HG3 GLU 20 HG2 GLU 20 3.163 3.439 6.927 186 H LEU 21 H LEU 21 -0.851 5.253 6.652 187 HA LEU 21 HA LEU 21 -3.200 3.724 6.552 188 HB2 LEU 21 HB3 LEU 21 -2.674 6.652 6.916 189 HB3 LEU 21 HB2 LEU 21 -4.313 6.040 6.819 190 HG LEU 21 HG LEU 21 -3.898 4.625 8.796 191 HD11 LEU 21 HD11 LEU 21 -1.902 4.989 10.162 192 HD12 LEU 21 HD12 LEU 21 -1.225 6.013 8.894 193 HD13 LEU 21 HD13 LEU 21 -1.500 4.297 8.589 194 HD21 LEU 21 HD21 LEU 21 -3.889 6.414 10.426 195 HD22 LEU 21 HD22 LEU 21 -4.848 6.873 9.021 196 HD23 LEU 21 HD23 LEU 21 -3.224 7.527 9.230 197 H ALA 22 H ALA 22 -1.832 5.999 4.239 198 HA ALA 22 HA ALA 22 -4.113 6.371 2.643 199 HB1 ALA 22 HB1 ALA 22 -1.233 6.381 1.752 200 HB2 ALA 22 HB2 ALA 22 -2.098 7.752 2.448 201 HB3 ALA 22 HB3 ALA 22 -2.596 7.092 0.889 202 H ARG 23 H ARG 23 -1.807 3.748 2.782 203 HA ARG 23 HA ARG 23 -2.610 2.621 0.264 204 HB2 ARG 23 HB3 ARG 23 -0.966 1.432 2.504 205 HB3 ARG 23 HB2 ARG 23 -1.162 0.731 0.901 206 HG2 ARG 23 HG3 ARG 23 -0.165 2.780 -0.065 207 HG3 ARG 23 HG2 ARG 23 0.133 3.362 1.571 208 HD2 ARG 23 HD3 ARG 23 1.580 1.457 2.003 209 HD3 ARG 23 HD2 ARG 23 1.245 0.821 0.389 210 HE ARG 23 HE ARG 23 2.468 3.471 0.710 211 HH11 ARG 23 HH11 ARG 23 2.668 0.175 -0.439 212 HH12 ARG 23 HH12 ARG 23 4.027 0.478 -1.469 213 HH21 ARG 23 HH22 ARG 23 4.235 3.891 -0.649 214 HH22 ARG 23 HH21 ARG 23 4.941 2.605 -1.577 215 H VAL 24 H VAL 24 -3.533 2.288 3.599 216 HA VAL 24 HA VAL 24 -5.110 -0.050 3.310 217 HB VAL 24 HB VAL 24 -5.320 2.230 5.293 218 HG11 VAL 24 HG11 VAL 24 -6.723 0.738 6.641 219 HG12 VAL 24 HG12 VAL 24 -6.715 -0.450 5.337 220 HG13 VAL 24 HG13 VAL 24 -7.484 1.118 5.097 221 HG21 VAL 24 HG21 VAL 24 -4.279 0.634 6.836 222 HG22 VAL 24 HG22 VAL 24 -3.250 0.956 5.439 223 HG23 VAL 24 HG23 VAL 24 -4.169 -0.548 5.531 224 H LYS 25 H LYS 25 -5.764 3.409 2.925 225 HA LYS 25 HA LYS 25 -8.545 3.037 2.425 226 HB2 LYS 25 HB3 LYS 25 -7.330 5.216 3.128 227 HB3 LYS 25 HB2 LYS 25 -7.018 5.409 1.404 228 HG2 LYS 25 HG3 LYS 25 -9.621 4.886 1.283 229 HG3 LYS 25 HG2 LYS 25 -9.563 5.573 2.905 230 HD2 LYS 25 HD3 LYS 25 -8.490 7.582 2.006 231 HD3 LYS 25 HD2 LYS 25 -8.565 6.890 0.383 232 HE2 LYS 25 HE3 LYS 25 -10.857 7.699 2.158 233 HE3 LYS 25 HE2 LYS 25 -10.408 8.379 0.595 234 HZ1 LYS 25 HZ1 LYS 25 -12.282 6.948 0.302 235 HZ2 LYS 25 HZ2 LYS 25 -11.517 5.668 1.108 236 HZ3 LYS 25 HZ3 LYS 25 -10.943 6.183 -0.404 237 H PHE 26 H PHE 26 -5.664 3.037 0.419 238 HA PHE 26 HA PHE 26 -6.944 3.155 -2.085 239 HB2 PHE 26 HB3 PHE 26 -4.515 3.336 -1.948 240 HB3 PHE 26 HB2 PHE 26 -4.401 1.697 -1.308 241 HD1 PHE 26 HD1 PHE 26 -5.567 3.594 -4.289 242 HD2 PHE 26 HD2 PHE 26 -4.099 -0.093 -2.754 243 HE1 PHE 26 HE1 PHE 26 -5.425 2.703 -6.578 244 HE2 PHE 26 HE2 PHE 26 -3.950 -0.990 -5.041 245 HZ PHE 26 HZ PHE 26 -4.622 0.405 -6.957 246 H MET 27 H MET 27 -6.035 0.385 -0.056 247 HA MET 27 HA MET 27 -7.226 -1.647 -1.550 248 HB2 MET 27 HB3 MET 27 -7.026 -1.391 1.458 249 HB3 MET 27 HB2 MET 27 -7.403 -2.874 0.593 250 HG2 MET 27 HG3 MET 27 -5.224 -2.855 -0.454 251 HG3 MET 27 HG2 MET 27 -4.841 -1.319 0.326 252 HE1 MET 27 HE1 MET 27 -2.591 -2.299 1.308 253 HE2 MET 27 HE2 MET 27 -2.926 -3.826 0.493 254 HE3 MET 27 HE3 MET 27 -2.492 -3.815 2.203 255 H GLN 28 H GLN 28 -8.576 0.373 1.023 256 HA GLN 28 HA GLN 28 -11.155 -0.566 1.143 257 HB2 GLN 28 HB3 GLN 28 -10.406 1.108 2.680 258 HB3 GLN 28 HB2 GLN 28 -10.112 2.253 1.378 259 HG2 GLN 28 HG3 GLN 28 -12.548 2.264 0.915 260 HG3 GLN 28 HG2 GLN 28 -12.778 1.245 2.336 261 HE21 GLN 28 HE22 GLN 28 -12.344 2.085 4.362 262 HE22 GLN 28 HE21 GLN 28 -12.318 3.789 4.661 263 H ASP 29 H ASP 29 -10.013 2.109 -0.915 264 HA ASP 29 HA ASP 29 -12.423 2.572 -2.234 265 HB2 ASP 29 HB3 ASP 29 -9.638 3.354 -2.596 266 HB3 ASP 29 HB2 ASP 29 -10.488 3.180 -4.129 267 H VAL 30 H VAL 30 -9.743 0.428 -3.132 268 HA VAL 30 HA VAL 30 -10.793 -0.300 -5.643 269 HB VAL 30 HB VAL 30 -8.867 -1.802 -3.864 270 HG11 VAL 30 HG11 VAL 30 -8.197 -2.984 -5.910 271 HG12 VAL 30 HG12 VAL 30 -9.516 -2.201 -6.782 272 HG13 VAL 30 HG13 VAL 30 -9.871 -3.323 -5.467 273 HG21 VAL 30 HG21 VAL 30 -8.404 0.026 -6.218 274 HG22 VAL 30 HG22 VAL 30 -7.157 -0.853 -5.335 275 HG23 VAL 30 HG23 VAL 30 -8.084 0.411 -4.527 276 H VAL 31 H VAL 31 -11.109 -1.861 -2.449 277 HA VAL 31 HA VAL 31 -12.574 -4.100 -3.492 278 HB VAL 31 HB VAL 31 -12.553 -3.212 -0.606 279 HG11 VAL 31 HG11 VAL 31 -14.144 -4.964 -1.154 280 HG12 VAL 31 HG12 VAL 31 -12.839 -5.600 -0.152 281 HG13 VAL 31 HG13 VAL 31 -12.858 -5.924 -1.886 282 HG21 VAL 31 HG21 VAL 31 -10.237 -3.312 -1.412 283 HG22 VAL 31 HG22 VAL 31 -10.508 -4.964 -1.967 284 HG23 VAL 31 HG23 VAL 31 -10.585 -4.586 -0.243 285 H ASN 32 H ASN 32 -13.419 -0.962 -2.198 286 HA ASN 32 HA ASN 32 -16.197 -1.699 -1.786 287 HB2 ASN 32 HB3 ASN 32 -14.890 -0.119 -0.280 288 HB3 ASN 32 HB2 ASN 32 -15.001 1.066 -1.576 289 HD21 ASN 32 HD22 ASN 32 -16.190 2.475 -0.290 290 HD22 ASN 32 HD21 ASN 32 -17.850 2.175 0.113 291 H SER 33 H SER 33 -14.252 -0.030 -4.143 292 HA SER 33 HA SER 33 -16.548 1.015 -5.571 293 HB2 SER 33 HB3 SER 33 -14.510 2.354 -5.528 294 HB3 SER 33 HB2 SER 33 -13.586 1.020 -6.214 295 HG SER 33 HG SER 33 -14.029 2.070 -7.998 296 H ASP 34 H ASP 34 -16.758 0.517 -7.931 297 HA ASP 34 HA ASP 34 -17.057 -2.269 -8.336 298 HB2 ASP 34 HB3 ASP 34 -17.215 0.053 -10.264 299 HB3 ASP 34 HB2 ASP 34 -17.604 -1.608 -10.704 300 H THR 35 H THR 35 -14.350 -0.368 -8.455 301 HA THR 35 HA THR 35 -12.795 -1.210 -10.548 302 HB THR 35 HB THR 35 -11.794 -0.980 -7.707 303 HG1 THR 35 HG1 THR 35 -12.505 1.045 -9.593 304 HG21 THR 35 HG21 THR 35 -10.508 -0.289 -10.356 305 HG22 THR 35 HG22 THR 35 -10.144 -1.714 -9.381 306 HG23 THR 35 HG23 THR 35 -9.769 -0.105 -8.764 307 H PHE 36 H PHE 36 -13.076 -2.806 -7.354 308 HA PHE 36 HA PHE 36 -12.673 -5.375 -8.687 309 HB2 PHE 36 HB3 PHE 36 -10.867 -4.189 -6.640 310 HB3 PHE 36 HB2 PHE 36 -11.197 -5.914 -6.538 311 HD1 PHE 36 HD1 PHE 36 -10.464 -7.426 -8.289 312 HD2 PHE 36 HD2 PHE 36 -9.552 -3.273 -8.443 313 HE1 PHE 36 HE1 PHE 36 -8.753 -7.870 -9.998 314 HE2 PHE 36 HE2 PHE 36 -7.838 -3.708 -10.154 315 HZ PHE 36 HZ PHE 36 -7.436 -6.010 -10.934 316 H LYS 37 H LYS 37 -14.914 -3.897 -7.251 317 HA LYS 37 HA LYS 37 -15.421 -5.275 -4.834 318 HB2 LYS 37 HB3 LYS 37 -16.589 -3.160 -5.636 319 HB3 LYS 37 HB2 LYS 37 -17.556 -4.195 -6.680 320 HG2 LYS 37 HG3 LYS 37 -18.480 -5.345 -4.789 321 HG3 LYS 37 HG2 LYS 37 -17.400 -4.494 -3.688 322 HD2 LYS 37 HD3 LYS 37 -19.463 -3.401 -3.468 323 HD3 LYS 37 HD2 LYS 37 -18.511 -2.352 -4.516 324 HE2 LYS 37 HE3 LYS 37 -20.374 -4.409 -5.655 325 HE3 LYS 37 HE2 LYS 37 -20.966 -2.833 -5.137 326 HZ1 LYS 37 HZ1 LYS 37 -19.475 -1.774 -6.682 327 HZ2 LYS 37 HZ2 LYS 37 -20.434 -2.899 -7.505 328 HZ3 LYS 37 HZ3 LYS 37 -18.826 -3.270 -7.147 329 H GLY 38 H GLY 38 -15.472 -6.315 -8.063 330 HA2 GLY 38 HA3 GLY 38 -17.343 -8.451 -7.837 331 HA3 GLY 38 HA2 GLY 38 -16.046 -8.329 -9.020 332 H GLN 39 H GLN 39 -14.132 -7.978 -6.701 333 HA GLN 39 HA GLN 39 -13.986 -10.808 -5.896 334 HB2 GLN 39 HB3 GLN 39 -12.199 -10.163 -7.467 335 HB3 GLN 39 HB2 GLN 39 -11.716 -8.865 -6.384 336 HG2 GLN 39 HG3 GLN 39 -10.245 -10.797 -6.204 337 HG3 GLN 39 HG2 GLN 39 -11.085 -10.474 -4.688 338 HE21 GLN 39 HE22 GLN 39 -10.818 -12.559 -3.948 339 HE22 GLN 39 HE21 GLN 39 -11.691 -13.901 -4.611 340 HA PRO 40 HA PRO 40 -14.893 -8.878 -1.962 341 HB2 PRO 40 HB2 PRO 40 -14.553 -11.205 -0.504 342 HB3 PRO 40 HB3 PRO 40 -16.051 -10.712 -1.299 343 HG2 PRO 40 HG3 PRO 40 -13.946 -12.617 -2.233 344 HG3 PRO 40 HG2 PRO 40 -15.710 -12.734 -2.376 345 HD2 PRO 40 HD3 PRO 40 -14.190 -12.012 -4.457 346 HD3 PRO 40 HD2 PRO 40 -15.786 -11.282 -4.182 347 H ILE 41 H ILE 41 -12.181 -11.186 -2.214 348 HA ILE 41 HA ILE 41 -10.544 -9.331 -0.642 349 HB ILE 41 HB ILE 41 -10.571 -12.307 -0.099 350 HG12 ILE 41 HG13 ILE 41 -11.844 -10.037 1.442 351 HG13 ILE 41 HG12 ILE 41 -12.667 -11.402 0.693 352 HG21 ILE 41 HG21 ILE 41 -9.235 -10.014 1.336 353 HG22 ILE 41 HG22 ILE 41 -8.437 -11.235 0.343 354 HG23 ILE 41 HG23 ILE 41 -9.217 -11.699 1.855 355 HD11 ILE 41 HD11 ILE 41 -12.576 -11.776 3.035 356 HD12 ILE 41 HD12 ILE 41 -10.844 -11.451 3.076 357 HD13 ILE 41 HD13 ILE 41 -11.453 -12.897 2.266 358 H PHE 42 H PHE 42 -8.250 -9.617 -0.981 359 HA PHE 42 HA PHE 42 -7.770 -10.509 -3.720 360 HB2 PHE 42 HB3 PHE 42 -6.203 -8.685 -1.897 361 HB3 PHE 42 HB2 PHE 42 -5.656 -9.171 -3.498 362 HD1 PHE 42 HD1 PHE 42 -7.257 -8.678 -5.458 363 HD2 PHE 42 HD2 PHE 42 -7.507 -6.796 -1.650 364 HE1 PHE 42 HE1 PHE 42 -8.521 -6.824 -6.461 365 HE2 PHE 42 HE2 PHE 42 -8.774 -4.939 -2.648 366 HZ PHE 42 HZ PHE 42 -9.282 -4.953 -5.056 367 H ASP 43 H ASP 43 -5.315 -11.047 -4.013 368 HA ASP 43 HA ASP 43 -4.781 -13.430 -2.420 369 HB2 ASP 43 HB3 ASP 43 -3.231 -12.485 -4.833 370 HB3 ASP 43 HB2 ASP 43 -3.372 -14.122 -4.205 371 H HIS 44 H HIS 44 -2.486 -13.847 -1.787 372 HA HIS 44 HA HIS 44 -1.183 -11.561 -0.642 373 HB2 HIS 44 HB3 HIS 44 -0.416 -14.460 -0.944 374 HB3 HIS 44 HB2 HIS 44 0.737 -13.278 -0.337 375 HD1 HIS 44 HD1 HIS 44 0.863 -13.460 2.116 376 HD2 HIS 44 HD2 HIS 44 -3.027 -13.991 0.737 377 HE1 HIS 44 HE1 HIS 44 -0.552 -13.790 4.174 378 HE2 HIS 44 HE2 HIS 44 -2.912 -14.053 3.323 379 H ALA 45 H ALA 45 -0.913 -13.408 -3.590 380 HA ALA 45 HA ALA 45 1.413 -12.145 -4.620 381 HB1 ALA 45 HB1 ALA 45 0.523 -14.218 -5.571 382 HB2 ALA 45 HB2 ALA 45 0.644 -12.960 -6.800 383 HB3 ALA 45 HB3 ALA 45 -0.924 -13.360 -6.100 384 H HIS 46 H HIS 46 -1.924 -11.264 -4.358 385 HA HIS 46 HA HIS 46 -1.731 -8.998 -6.120 386 HB2 HIS 46 HB3 HIS 46 -3.832 -10.384 -4.754 387 HB3 HIS 46 HB2 HIS 46 -3.930 -8.670 -4.365 388 HD1 HIS 46 HD1 HIS 46 -5.150 -10.991 -6.759 389 HD2 HIS 46 HD2 HIS 46 -3.691 -7.098 -6.958 390 HE1 HIS 46 HE1 HIS 46 -5.989 -10.054 -8.940 391 HE2 HIS 46 HE2 HIS 46 -4.835 -7.823 -9.150 392 H THR 47 H THR 47 -1.136 -9.685 -2.778 393 HA THR 47 HA THR 47 -1.066 -7.087 -1.739 394 HB THR 47 HB THR 47 0.737 -9.427 -1.078 395 HG1 THR 47 HG1 THR 47 -1.612 -8.496 0.242 396 HG21 THR 47 HG21 THR 47 1.758 -7.392 -0.296 397 HG22 THR 47 HG22 THR 47 1.065 -8.243 1.088 398 HG23 THR 47 HG23 THR 47 0.232 -6.843 0.404 399 H ARG 48 H ARG 48 1.655 -9.041 -2.985 400 HA ARG 48 HA ARG 48 3.479 -6.909 -3.066 401 HB2 ARG 48 HB3 ARG 48 4.843 -8.320 -4.531 402 HB3 ARG 48 HB2 ARG 48 4.215 -9.230 -3.166 403 HG2 ARG 48 HG3 ARG 48 2.478 -10.180 -4.612 404 HG3 ARG 48 HG2 ARG 48 3.147 -9.286 -5.981 405 HD2 ARG 48 HD3 ARG 48 5.260 -10.470 -5.731 406 HD3 ARG 48 HD2 ARG 48 4.620 -11.341 -4.340 407 HE ARG 48 HE ARG 48 3.260 -11.614 -6.927 408 HH11 ARG 48 HH11 ARG 48 5.201 -12.996 -4.364 409 HH12 ARG 48 HH12 ARG 48 5.070 -14.619 -4.949 410 HH21 ARG 48 HH22 ARG 48 3.058 -13.762 -7.700 411 HH22 ARG 48 HH21 ARG 48 3.845 -15.059 -6.847 412 H GLU 49 H GLU 49 1.077 -7.985 -5.380 413 HA GLU 49 HA GLU 49 1.900 -6.473 -7.593 414 HB2 GLU 49 HB3 GLU 49 0.136 -8.251 -7.603 415 HB3 GLU 49 HB2 GLU 49 -0.942 -7.127 -6.788 416 HG2 GLU 49 HG3 GLU 49 -0.772 -5.605 -8.716 417 HG3 GLU 49 HG2 GLU 49 0.247 -6.790 -9.534 418 H PHE 50 H PHE 50 -0.528 -5.687 -5.097 419 HA PHE 50 HA PHE 50 -0.944 -3.041 -6.043 420 HB2 PHE 50 HB3 PHE 50 -1.762 -4.570 -3.608 421 HB3 PHE 50 HB2 PHE 50 -1.965 -2.822 -3.626 422 HD1 PHE 50 HD2 PHE 50 -2.291 -4.693 -6.742 423 HD2 PHE 50 HD1 PHE 50 -4.366 -3.076 -3.398 424 HE1 PHE 50 HE2 PHE 50 -4.420 -4.926 -7.952 425 HE2 PHE 50 HE1 PHE 50 -6.496 -3.309 -4.600 426 HZ PHE 50 HZ PHE 50 -6.526 -4.230 -6.884 427 H ILE 51 H ILE 51 0.879 -4.330 -3.269 428 HA ILE 51 HA ILE 51 1.505 -1.826 -2.167 429 HB ILE 51 HB ILE 51 2.967 -4.444 -1.849 430 HG12 ILE 51 HG13 ILE 51 0.637 -4.533 -1.099 431 HG13 ILE 51 HG12 ILE 51 1.727 -4.576 0.283 432 HG21 ILE 51 HG21 ILE 51 3.159 -1.919 -0.213 433 HG22 ILE 51 HG22 ILE 51 4.410 -2.571 -1.269 434 HG23 ILE 51 HG23 ILE 51 3.927 -3.457 0.176 435 HD11 ILE 51 HD11 ILE 51 -0.194 -3.152 0.708 436 HD12 ILE 51 HD12 ILE 51 0.213 -2.164 -0.694 437 HD13 ILE 51 HD13 ILE 51 1.298 -2.211 0.696 438 H GLN 52 H GLN 52 3.404 -3.935 -4.323 439 HA GLN 52 HA GLN 52 5.681 -2.238 -4.297 440 HB2 GLN 52 HB3 GLN 52 5.848 -4.635 -4.803 441 HB3 GLN 52 HB2 GLN 52 4.927 -4.389 -6.280 442 HG2 GLN 52 HG3 GLN 52 7.318 -4.585 -6.716 443 HG3 GLN 52 HG2 GLN 52 6.692 -3.007 -7.189 444 HE21 GLN 52 HE22 GLN 52 8.697 -2.037 -7.078 445 HE22 GLN 52 HE21 GLN 52 9.498 -1.718 -5.581 446 H SER 53 H SER 53 2.984 -2.641 -6.584 447 HA SER 53 HA SER 53 3.953 -0.883 -8.543 448 HB2 SER 53 HB3 SER 53 1.085 -1.511 -7.808 449 HB3 SER 53 HB2 SER 53 1.600 -0.706 -9.291 450 HG SER 53 HG SER 53 1.857 -3.379 -8.515 451 H PHE 54 H PHE 54 2.208 -0.293 -5.552 452 HA PHE 54 HA PHE 54 1.651 2.445 -5.995 453 HB2 PHE 54 HB3 PHE 54 0.730 0.861 -4.166 454 HB3 PHE 54 HB2 PHE 54 2.195 1.264 -3.278 455 HD1 PHE 54 HD2 PHE 54 2.559 3.547 -2.457 456 HD2 PHE 54 HD1 PHE 54 -1.047 2.434 -4.421 457 HE1 PHE 54 HE2 PHE 54 1.467 5.575 -1.594 458 HE2 PHE 54 HE1 PHE 54 -2.145 4.460 -3.562 459 HZ PHE 54 HZ PHE 54 -0.888 6.034 -2.145 460 H ILE 55 H ILE 55 4.412 0.712 -4.658 461 HA ILE 55 HA ILE 55 5.936 3.010 -3.938 462 HB ILE 55 HB ILE 55 6.901 0.227 -4.644 463 HG12 ILE 55 HG13 ILE 55 6.300 1.452 -1.942 464 HG13 ILE 55 HG12 ILE 55 5.281 0.279 -2.772 465 HG21 ILE 55 HG21 ILE 55 8.286 2.456 -3.153 466 HG22 ILE 55 HG22 ILE 55 8.703 1.855 -4.758 467 HG23 ILE 55 HG23 ILE 55 8.905 0.814 -3.347 468 HD11 ILE 55 HD11 ILE 55 6.609 -0.779 -1.044 469 HD12 ILE 55 HD12 ILE 55 8.090 -0.191 -1.801 470 HD13 ILE 55 HD13 ILE 55 7.079 -1.368 -2.640 471 H GLU 56 H GLU 56 5.767 0.965 -6.821 472 HA GLU 56 HA GLU 56 7.880 2.192 -8.230 473 HB2 GLU 56 HB3 GLU 56 5.484 0.668 -9.255 474 HB3 GLU 56 HB2 GLU 56 6.861 1.137 -10.243 475 HG2 GLU 56 HG3 GLU 56 8.320 -0.193 -8.746 476 HG3 GLU 56 HG2 GLU 56 6.876 -0.740 -7.893 477 H ARG 57 H ARG 57 4.666 3.249 -7.611 478 HA ARG 57 HA ARG 57 4.263 4.878 -9.871 479 HB2 ARG 57 HB3 ARG 57 2.435 4.393 -8.327 480 HB3 ARG 57 HB2 ARG 57 3.258 5.278 -7.046 481 HG2 ARG 57 HG3 ARG 57 3.180 7.273 -8.676 482 HG3 ARG 57 HG2 ARG 57 1.952 6.334 -9.522 483 HD2 ARG 57 HD3 ARG 57 0.408 6.660 -7.911 484 HD3 ARG 57 HD2 ARG 57 1.598 6.588 -6.608 485 HE ARG 57 HE ARG 57 1.943 8.944 -8.158 486 HH11 ARG 57 HH11 ARG 57 -0.288 7.562 -5.838 487 HH12 ARG 57 HH12 ARG 57 -0.588 9.072 -5.031 488 HH21 ARG 57 HH22 ARG 57 1.560 10.934 -7.127 489 HH22 ARG 57 HH21 ARG 57 0.452 11.001 -5.778 490 H ASP 58 H ASP 58 6.330 5.257 -7.113 491 HA ASP 58 HA ASP 58 6.584 8.069 -7.130 492 HB2 ASP 58 HB3 ASP 58 7.449 6.333 -5.390 493 HB3 ASP 58 HB2 ASP 58 8.879 6.260 -6.418 494 H ASP 59 H ASP 59 7.781 5.614 -9.217 495 HA ASP 59 HA ASP 59 9.905 7.103 -10.402 496 HB2 ASP 59 HB3 ASP 59 9.607 4.593 -10.523 497 HB3 ASP 59 HB2 ASP 59 8.311 4.875 -11.682 498 H THR 60 H THR 60 6.465 6.991 -10.783 499 HA THR 60 HA THR 60 6.387 8.416 -13.278 500 HB THR 60 HB THR 60 4.167 8.085 -11.249 501 HG1 THR 60 HG1 THR 60 3.635 6.219 -12.323 502 HG21 THR 60 HG21 THR 60 3.732 9.817 -12.917 503 HG22 THR 60 HG22 THR 60 2.693 8.418 -13.187 504 HG23 THR 60 HG23 THR 60 4.104 8.679 -14.213 505 H GLU 61 H GLU 61 6.166 9.204 -9.854 506 HA GLU 61 HA GLU 61 5.609 11.969 -10.216 507 HB2 GLU 61 HB3 GLU 61 7.091 10.804 -7.862 508 HB3 GLU 61 HB2 GLU 61 6.032 12.204 -7.892 509 HG2 GLU 61 HG3 GLU 61 5.201 9.325 -8.174 510 HG3 GLU 61 HG2 GLU 61 4.969 10.351 -6.763 511 H LEU 62 H LEU 62 8.485 10.000 -9.947 512 HA LEU 62 HA LEU 62 10.409 12.079 -10.092 513 HB2 LEU 62 HB3 LEU 62 10.938 9.836 -9.288 514 HB3 LEU 62 HB2 LEU 62 10.565 9.165 -10.862 515 HG LEU 62 HG LEU 62 12.491 10.351 -11.828 516 HD11 LEU 62 HD11 LEU 62 13.031 11.208 -8.988 517 HD12 LEU 62 HD12 LEU 62 12.554 12.263 -10.319 518 HD13 LEU 62 HD13 LEU 62 14.114 11.439 -10.361 519 HD21 LEU 62 HD21 LEU 62 13.143 8.683 -9.400 520 HD22 LEU 62 HD22 LEU 62 14.232 9.009 -10.749 521 HD23 LEU 62 HD23 LEU 62 12.759 8.074 -11.010 522 H ASP 63 H ASP 63 8.472 10.414 -12.435 523 HA ASP 63 HA ASP 63 9.984 10.906 -14.755 524 HB2 ASP 63 HB3 ASP 63 8.055 9.316 -14.567 525 HB3 ASP 63 HB2 ASP 63 6.972 10.704 -14.549 526 H GLU 64 H GLU 64 7.765 12.864 -12.921 527 HA GLU 64 HA GLU 64 7.407 15.010 -14.677 528 HB2 GLU 64 HB3 GLU 64 7.298 14.614 -11.737 529 HB3 GLU 64 HB2 GLU 64 7.445 16.271 -12.305 530 HG2 GLU 64 HG3 GLU 64 5.322 14.371 -13.255 531 HG3 GLU 64 HG2 GLU 64 5.113 15.487 -11.904 532 H LEU 65 H LEU 65 10.050 14.207 -12.505 533 HA LEU 65 HA LEU 65 11.446 16.682 -12.960 534 HB2 LEU 65 HB3 LEU 65 12.373 14.108 -11.674 535 HB3 LEU 65 HB2 LEU 65 13.252 15.625 -11.652 536 HG LEU 65 HG LEU 65 10.565 15.133 -10.366 537 HD11 LEU 65 HD11 LEU 65 12.383 14.003 -9.204 538 HD12 LEU 65 HD12 LEU 65 11.786 15.370 -8.263 539 HD13 LEU 65 HD13 LEU 65 13.300 15.508 -9.156 540 HD21 LEU 65 HD21 LEU 65 10.791 17.431 -11.150 541 HD22 LEU 65 HD22 LEU 65 12.344 17.569 -10.326 542 HD23 LEU 65 HD23 LEU 65 10.864 17.356 -9.390 543 H LYS 66 H LYS 66 11.447 13.444 -14.256 544 HA LYS 66 HA LYS 66 13.863 13.542 -15.703 545 HB2 LYS 66 HB3 LYS 66 11.321 12.058 -16.408 546 HB3 LYS 66 HB2 LYS 66 12.923 11.723 -17.050 547 HG2 LYS 66 HG3 LYS 66 13.698 11.036 -14.869 548 HG3 LYS 66 HG2 LYS 66 12.147 11.475 -14.151 549 HD2 LYS 66 HD3 LYS 66 11.067 9.800 -15.667 550 HD3 LYS 66 HD2 LYS 66 12.683 9.285 -16.155 551 HE2 LYS 66 HE3 LYS 66 13.201 8.683 -13.852 552 HE3 LYS 66 HE2 LYS 66 11.614 9.246 -13.333 553 HZ1 LYS 66 HZ1 LYS 66 11.552 6.881 -13.554 554 HZ2 LYS 66 HZ2 LYS 66 12.192 6.949 -15.126 555 HZ3 LYS 66 HZ3 LYS 66 10.636 7.542 -14.822 556 H LYS 67 H LYS 67 10.541 14.394 -16.596 557 HA LYS 67 HA LYS 67 11.133 15.215 -19.243 558 HB2 LYS 67 HB3 LYS 67 8.860 15.991 -17.408 559 HB3 LYS 67 HB2 LYS 67 8.929 16.370 -19.122 560 HG2 LYS 67 HG3 LYS 67 8.831 14.052 -19.702 561 HG3 LYS 67 HG2 LYS 67 8.977 13.577 -18.009 562 HD2 LYS 67 HD3 LYS 67 6.835 14.639 -17.518 563 HD3 LYS 67 HD2 LYS 67 6.693 15.148 -19.203 564 HE2 LYS 67 HE3 LYS 67 6.574 12.862 -19.938 565 HE3 LYS 67 HE2 LYS 67 6.909 12.278 -18.308 566 HZ1 LYS 67 HZ1 LYS 67 4.488 13.777 -19.153 567 HZ2 LYS 67 HZ2 LYS 67 4.819 13.258 -17.575 568 HZ3 LYS 67 HZ3 LYS 67 4.566 12.120 -18.806 569 H LYS 68 H LYS 68 11.085 16.880 -16.151 570 HA LYS 68 HA LYS 68 11.391 19.472 -17.383 571 HB2 LYS 68 HB3 LYS 68 10.884 18.468 -14.650 572 HB3 LYS 68 HB2 LYS 68 11.743 19.999 -14.771 573 HG2 LYS 68 HG3 LYS 68 9.939 20.905 -16.151 574 HG3 LYS 68 HG2 LYS 68 9.076 19.373 -16.024 575 HD2 LYS 68 HD3 LYS 68 9.897 20.839 -13.550 576 HD3 LYS 68 HD2 LYS 68 8.461 21.346 -14.440 577 HE2 LYS 68 HE3 LYS 68 8.958 18.552 -13.420 578 HE3 LYS 68 HE2 LYS 68 7.977 19.763 -12.593 579 HZ1 LYS 68 HZ1 LYS 68 6.531 18.353 -13.836 580 HZ2 LYS 68 HZ2 LYS 68 7.446 18.544 -15.253 581 HZ3 LYS 68 HZ3 LYS 68 6.576 19.849 -14.624 582 H ARG 69 H ARG 69 13.556 17.313 -17.518 583 HA ARG 69 HA ARG 69 15.866 18.605 -16.441 584 HB2 ARG 69 HB3 ARG 69 15.822 16.236 -17.307 585 HB3 ARG 69 HB2 ARG 69 15.698 16.892 -18.934 586 HG2 ARG 69 HG3 ARG 69 17.866 18.214 -18.140 587 HG3 ARG 69 HG2 ARG 69 18.013 16.802 -17.092 588 HD2 ARG 69 HD3 ARG 69 17.971 16.914 -20.094 589 HD3 ARG 69 HD2 ARG 69 19.228 16.273 -19.038 590 HE ARG 69 HE ARG 69 16.585 14.990 -19.291 591 HH11 ARG 69 HH11 ARG 69 20.087 14.815 -19.219 592 HH12 ARG 69 HH12 ARG 69 20.118 13.093 -19.446 593 HH21 ARG 69 HH22 ARG 69 16.625 12.758 -19.602 594 HH22 ARG 69 HH21 ARG 69 18.146 11.910 -19.665 595 H ARG 70 H ARG 70 15.898 20.792 -16.913 596 HA ARG 70 HA ARG 70 14.949 21.687 -19.475 597 HB2 ARG 70 HB3 ARG 70 16.099 23.314 -17.206 598 HB3 ARG 70 HB2 ARG 70 15.255 23.950 -18.614 599 HG2 ARG 70 HG3 ARG 70 13.327 22.386 -17.810 600 HG3 ARG 70 HG2 ARG 70 14.171 22.469 -16.263 601 HD2 ARG 70 HD3 ARG 70 13.145 24.803 -17.873 602 HD3 ARG 70 HD2 ARG 70 12.432 24.166 -16.393 603 HE ARG 70 HE ARG 70 14.571 24.856 -15.294 604 HH11 ARG 70 HH11 ARG 70 13.485 26.387 -18.248 605 HH12 ARG 70 HH12 ARG 70 14.258 27.908 -17.900 606 HH21 ARG 70 HH22 ARG 70 15.600 26.850 -14.828 607 HH22 ARG 70 HH21 ARG 70 15.483 28.163 -15.959 608 H SER 71 H SER 71 16.645 20.448 -20.553 609 HA SER 71 HA SER 71 18.289 20.498 -22.084 610 HB2 SER 71 HB3 SER 71 17.389 22.796 -22.508 611 HB3 SER 71 HB2 SER 71 18.632 23.426 -21.427 612 HG SER 71 HG SER 71 19.100 21.891 -23.784 613 H ASN 72 H ASN 72 19.567 22.832 -19.693 614 HA ASN 72 HA ASN 72 22.203 21.795 -20.152 615 HB2 ASN 72 HB3 ASN 72 21.225 23.935 -18.257 616 HB3 ASN 72 HB2 ASN 72 22.919 23.549 -18.543 617 HD21 ASN 72 HD22 ASN 72 21.491 26.044 -19.015 618 HD22 ASN 72 HD21 ASN 72 21.683 26.393 -20.701 619 H ARG 73 H ARG 73 19.900 21.742 -17.481 620 HA ARG 73 HA ARG 73 21.272 19.433 -16.422 621 HB2 ARG 73 HB3 ARG 73 21.670 20.282 -14.222 622 HB3 ARG 73 HB2 ARG 73 22.410 21.403 -15.356 623 HG2 ARG 73 HG3 ARG 73 20.732 23.016 -15.019 624 HG3 ARG 73 HG2 ARG 73 19.667 21.856 -14.221 625 HD2 ARG 73 HD3 ARG 73 20.594 23.240 -12.523 626 HD3 ARG 73 HD2 ARG 73 21.387 21.672 -12.405 627 HE ARG 73 HE ARG 73 22.686 23.875 -13.854 628 HH11 ARG 73 HH11 ARG 73 22.685 21.521 -11.258 629 HH12 ARG 73 HH12 ARG 73 24.304 21.889 -10.749 630 HH21 ARG 73 HH22 ARG 73 24.805 24.382 -13.175 631 HH22 ARG 73 HH21 ARG 73 25.512 23.523 -11.839 632 HA PRO 74 HA PRO 74 17.118 18.716 -14.867 633 HB2 PRO 74 HB2 PRO 74 17.772 16.394 -13.516 634 HB3 PRO 74 HB3 PRO 74 17.400 16.478 -15.237 635 HG2 PRO 74 HG3 PRO 74 19.918 15.891 -13.976 636 HG3 PRO 74 HG2 PRO 74 19.523 15.886 -15.701 637 HD2 PRO 74 HD3 PRO 74 20.896 17.930 -14.106 638 HD3 PRO 74 HD2 PRO 74 20.853 17.712 -15.867 639 HA PRO 75 HA PRO 75 17.152 19.891 -10.516 640 HB2 PRO 75 HB2 PRO 75 15.684 17.474 -9.674 641 HB3 PRO 75 HB3 PRO 75 15.218 19.172 -9.541 642 HG2 PRO 75 HG3 PRO 75 14.034 17.526 -11.297 643 HG3 PRO 75 HG2 PRO 75 14.330 19.234 -11.673 644 HD2 PRO 75 HD3 PRO 75 15.841 16.806 -12.562 645 HD3 PRO 75 HD2 PRO 75 15.404 18.261 -13.482 646 H SER 76 H SER 76 19.417 19.497 -10.339 647 HA SER 76 HA SER 76 20.743 17.132 -10.093 648 HB2 SER 76 HB3 SER 76 21.454 19.678 -8.626 649 HB3 SER 76 HB2 SER 76 22.563 18.392 -9.104 650 HG SER 76 HG SER 76 21.889 18.864 -11.315 651 H ASN 77 H ASN 77 19.405 19.025 -7.388 652 HA ASN 77 HA ASN 77 20.232 16.951 -5.523 653 HB2 ASN 77 HB3 ASN 77 20.584 19.232 -4.811 654 HB3 ASN 77 HB2 ASN 77 18.894 19.631 -5.102 655 HD21 ASN 77 HD22 ASN 77 21.134 17.972 -3.015 656 HD22 ASN 77 HD21 ASN 77 20.053 17.782 -1.675 657 H ARG 78 H ARG 78 17.241 18.408 -6.728 658 HA ARG 78 HA ARG 78 15.566 17.026 -4.905 659 HB2 ARG 78 HB3 ARG 78 14.928 18.491 -7.462 660 HB3 ARG 78 HB2 ARG 78 13.715 17.877 -6.343 661 HG2 ARG 78 HG3 ARG 78 14.535 19.305 -4.591 662 HG3 ARG 78 HG2 ARG 78 15.870 19.845 -5.609 663 HD2 ARG 78 HD3 ARG 78 14.222 20.808 -7.182 664 HD3 ARG 78 HD2 ARG 78 12.933 20.344 -6.069 665 HE ARG 78 HE ARG 78 14.772 21.836 -4.616 666 HH11 ARG 78 HH11 ARG 78 12.648 22.349 -7.359 667 HH12 ARG 78 HH12 ARG 78 12.374 24.030 -6.980 668 HH21 ARG 78 HH22 ARG 78 14.423 24.043 -4.142 669 HH22 ARG 78 HH21 ARG 78 13.382 24.984 -5.164 670 H GLN 79 H GLN 79 16.772 16.176 -8.090 671 HA GLN 79 HA GLN 79 14.870 14.084 -8.523 672 HB2 GLN 79 HB3 GLN 79 16.219 15.126 -10.351 673 HB3 GLN 79 HB2 GLN 79 17.646 14.333 -9.698 674 HG2 GLN 79 HG3 GLN 79 16.644 12.156 -10.112 675 HG3 GLN 79 HG2 GLN 79 15.191 12.934 -10.735 676 HE21 GLN 79 HE22 GLN 79 16.981 11.072 -12.059 677 HE22 GLN 79 HE21 GLN 79 17.583 11.889 -13.462 678 H VAL 80 H VAL 80 18.097 14.270 -7.117 679 HA VAL 80 HA VAL 80 18.336 11.490 -6.569 680 HB VAL 80 HB VAL 80 19.714 13.822 -5.215 681 HG11 VAL 80 HG11 VAL 80 21.413 12.179 -4.567 682 HG12 VAL 80 HG12 VAL 80 20.436 10.893 -5.277 683 HG13 VAL 80 HG13 VAL 80 19.836 11.787 -3.879 684 HG21 VAL 80 HG21 VAL 80 20.621 12.095 -7.518 685 HG22 VAL 80 HG22 VAL 80 21.573 13.354 -6.732 686 HG23 VAL 80 HG23 VAL 80 20.112 13.780 -7.626 687 H LEU 81 H LEU 81 17.063 14.263 -4.825 688 HA LEU 81 HA LEU 81 16.589 13.025 -2.350 689 HB2 LEU 81 HB3 LEU 81 16.469 15.466 -2.769 690 HB3 LEU 81 HB2 LEU 81 14.989 15.218 -3.674 691 HG LEU 81 HG LEU 81 13.903 14.361 -1.619 692 HD11 LEU 81 HD11 LEU 81 15.897 13.552 -0.470 693 HD12 LEU 81 HD12 LEU 81 15.002 14.691 0.536 694 HD13 LEU 81 HD13 LEU 81 16.472 15.209 -0.288 695 HD21 LEU 81 HD21 LEU 81 15.144 17.095 -1.355 696 HD22 LEU 81 HD22 LEU 81 13.706 16.524 -0.510 697 HD23 LEU 81 HD23 LEU 81 13.684 16.705 -2.265 698 H LEU 82 H LEU 82 14.560 13.326 -5.245 699 HA LEU 82 HA LEU 82 12.310 11.926 -4.354 700 HB2 LEU 82 HB3 LEU 82 12.708 13.215 -6.554 701 HB3 LEU 82 HB2 LEU 82 13.430 11.737 -7.151 702 HG LEU 82 HG LEU 82 11.144 11.980 -7.942 703 HD11 LEU 82 HD11 LEU 82 11.950 9.722 -7.593 704 HD12 LEU 82 HD12 LEU 82 10.221 9.835 -7.258 705 HD13 LEU 82 HD13 LEU 82 11.376 9.760 -5.926 706 HD21 LEU 82 HD21 LEU 82 10.236 13.330 -6.153 707 HD22 LEU 82 HD22 LEU 82 10.354 11.967 -5.038 708 HD23 LEU 82 HD23 LEU 82 9.246 11.892 -6.410 709 H GLN 83 H GLN 83 15.241 10.767 -5.997 710 HA GLN 83 HA GLN 83 14.600 8.054 -6.076 711 HB2 GLN 83 HB3 GLN 83 16.475 9.046 -7.322 712 HB3 GLN 83 HB2 GLN 83 17.335 9.313 -5.810 713 HG2 GLN 83 HG3 GLN 83 17.288 6.856 -5.430 714 HG3 GLN 83 HG2 GLN 83 16.599 6.672 -7.040 715 HE21 GLN 83 HE22 GLN 83 19.102 5.698 -5.910 716 HE22 GLN 83 HE21 GLN 83 20.358 6.296 -6.950 717 H GLN 84 H GLN 84 16.164 9.959 -3.530 718 HA GLN 84 HA GLN 84 16.736 7.720 -1.873 719 HB2 GLN 84 HB3 GLN 84 16.589 10.671 -1.302 720 HB3 GLN 84 HB2 GLN 84 16.973 9.485 -0.060 721 HG2 GLN 84 HG3 GLN 84 18.843 8.704 -1.566 722 HG3 GLN 84 HG2 GLN 84 18.534 10.140 -2.539 723 HE21 GLN 84 HE22 GLN 84 20.870 9.309 -0.960 724 HE22 GLN 84 HE21 GLN 84 21.175 10.608 0.144 725 H ARG 85 H ARG 85 13.940 9.786 -2.257 726 HA ARG 85 HA ARG 85 12.563 8.892 0.067 727 HB2 ARG 85 HB3 ARG 85 12.019 10.904 -1.482 728 HB3 ARG 85 HB2 ARG 85 11.195 9.722 -2.489 729 HG2 ARG 85 HG3 ARG 85 10.562 10.120 0.423 730 HG3 ARG 85 HG2 ARG 85 9.758 11.004 -0.870 731 HD2 ARG 85 HD3 ARG 85 9.849 8.000 -0.771 732 HD3 ARG 85 HD2 ARG 85 8.579 8.937 0.014 733 HE ARG 85 HE ARG 85 9.052 8.729 -2.890 734 HH11 ARG 85 HH11 ARG 85 7.082 9.777 -0.189 735 HH12 ARG 85 HH12 ARG 85 5.691 10.115 -1.162 736 HH21 ARG 85 HH22 ARG 85 7.203 9.142 -4.175 737 HH22 ARG 85 HH21 ARG 85 5.754 9.737 -3.421 738 H ARG 86 H ARG 86 12.411 7.952 -3.344 739 HA ARG 86 HA ARG 86 10.786 5.718 -3.204 740 HB2 ARG 86 HB3 ARG 86 11.621 6.709 -5.285 741 HB3 ARG 86 HB2 ARG 86 13.250 6.186 -4.899 742 HG2 ARG 86 HG3 ARG 86 12.516 3.842 -5.076 743 HG3 ARG 86 HG2 ARG 86 10.902 4.407 -5.528 744 HD2 ARG 86 HD3 ARG 86 11.863 5.577 -7.458 745 HD3 ARG 86 HD2 ARG 86 13.462 4.994 -7.012 746 HE ARG 86 HE ARG 86 12.141 2.697 -7.292 747 HH11 ARG 86 HH11 ARG 86 12.275 5.543 -9.308 748 HH12 ARG 86 HH12 ARG 86 11.972 4.693 -10.789 749 HH21 ARG 86 HH22 ARG 86 11.779 1.530 -9.254 750 HH22 ARG 86 HH21 ARG 86 11.654 2.404 -10.752 751 H ASP 87 H ASP 87 14.254 5.999 -2.627 752 HA ASP 87 HA ASP 87 14.773 3.275 -2.121 753 HB2 ASP 87 HB3 ASP 87 16.595 4.731 -2.644 754 HB3 ASP 87 HB2 ASP 87 16.207 5.803 -1.304 755 H GLN 88 H GLN 88 14.129 5.985 0.103 756 HA GLN 88 HA GLN 88 14.344 4.508 2.484 757 HB2 GLN 88 HB3 GLN 88 14.333 6.987 2.365 758 HB3 GLN 88 HB2 GLN 88 12.619 6.938 1.972 759 HG2 GLN 88 HG3 GLN 88 12.205 5.815 4.140 760 HG3 GLN 88 HG2 GLN 88 13.909 6.024 4.532 761 HE21 GLN 88 HE22 GLN 88 11.554 7.054 5.885 762 HE22 GLN 88 HE21 GLN 88 11.728 8.772 5.911 763 H GLU 89 H GLU 89 11.635 5.065 0.309 764 HA GLU 89 HA GLU 89 9.641 3.914 1.942 765 HB2 GLU 89 HB3 GLU 89 9.105 5.331 0.024 766 HB3 GLU 89 HB2 GLU 89 9.791 4.135 -1.068 767 HG2 GLU 89 HG3 GLU 89 8.057 2.628 -0.702 768 HG3 GLU 89 HG2 GLU 89 7.532 3.450 0.766 769 H LEU 90 H LEU 90 11.708 2.565 -0.603 770 HA LEU 90 HA LEU 90 10.691 -0.064 -0.469 771 HB2 LEU 90 HB3 LEU 90 12.105 0.885 -2.307 772 HB3 LEU 90 HB2 LEU 90 13.488 0.773 -1.236 773 HG LEU 90 HG LEU 90 13.144 -1.686 -1.118 774 HD11 LEU 90 HD11 LEU 90 11.093 -1.169 -3.263 775 HD12 LEU 90 HD12 LEU 90 10.767 -1.752 -1.631 776 HD13 LEU 90 HD13 LEU 90 11.682 -2.754 -2.758 777 HD21 LEU 90 HD21 LEU 90 13.506 -0.539 -3.882 778 HD22 LEU 90 HD22 LEU 90 13.994 -2.153 -3.367 779 HD23 LEU 90 HD23 LEU 90 14.765 -0.732 -2.662 780 H LYS 91 H LYS 91 12.991 1.690 1.456 781 HA LYS 91 HA LYS 91 14.142 -0.479 2.856 782 HB2 LYS 91 HB3 LYS 91 13.764 2.435 3.486 783 HB3 LYS 91 HB2 LYS 91 14.428 1.339 4.688 784 HG2 LYS 91 HG3 LYS 91 16.332 0.897 3.383 785 HG3 LYS 91 HG2 LYS 91 15.605 1.613 1.942 786 HD2 LYS 91 HD3 LYS 91 15.786 3.803 2.826 787 HD3 LYS 91 HD2 LYS 91 16.155 3.196 4.442 788 HE2 LYS 91 HE3 LYS 91 18.322 2.632 3.878 789 HE3 LYS 91 HE2 LYS 91 17.955 2.516 2.158 790 HZ1 LYS 91 HZ1 LYS 91 19.294 4.501 2.888 791 HZ2 LYS 91 HZ2 LYS 91 17.888 5.091 3.618 792 HZ3 LYS 91 HZ3 LYS 91 17.929 4.834 1.943 793 H GLU 92 H GLU 92 11.416 1.656 3.667 794 HA GLU 92 HA GLU 92 10.795 0.404 6.110 795 HB2 GLU 92 HB3 GLU 92 10.052 2.676 5.531 796 HB3 GLU 92 HB2 GLU 92 9.002 2.018 4.285 797 HG2 GLU 92 HG3 GLU 92 7.571 1.028 5.871 798 HG3 GLU 92 HG2 GLU 92 8.725 1.275 7.180 799 H PHE 93 H PHE 93 9.660 -0.151 2.814 800 HA PHE 93 HA PHE 93 7.660 -2.037 3.487 801 HB2 PHE 93 HB3 PHE 93 7.560 -1.081 1.305 802 HB3 PHE 93 HB2 PHE 93 9.211 -1.571 0.939 803 HD1 PHE 93 HD2 PHE 93 5.929 -3.080 1.882 804 HD2 PHE 93 HD1 PHE 93 9.532 -3.458 -0.352 805 HE1 PHE 93 HE2 PHE 93 5.090 -5.165 0.884 806 HE2 PHE 93 HE1 PHE 93 8.698 -5.543 -1.351 807 HZ PHE 93 HZ PHE 93 6.475 -6.399 -0.734 808 H LYS 94 H LYS 94 11.042 -2.460 2.432 809 HA LYS 94 HA LYS 94 10.737 -5.324 2.543 810 HB2 LYS 94 HB3 LYS 94 12.178 -3.865 0.895 811 HB3 LYS 94 HB2 LYS 94 13.401 -4.039 2.150 812 HG2 LYS 94 HG3 LYS 94 13.141 -6.494 2.010 813 HG3 LYS 94 HG2 LYS 94 12.004 -6.265 0.681 814 HD2 LYS 94 HD3 LYS 94 13.960 -6.651 -0.464 815 HD3 LYS 94 HD2 LYS 94 13.956 -4.890 -0.373 816 HE2 LYS 94 HE3 LYS 94 15.467 -6.774 1.435 817 HE3 LYS 94 HE2 LYS 94 16.158 -5.781 0.156 818 HZ1 LYS 94 HZ1 LYS 94 15.366 -3.808 1.393 819 HZ2 LYS 94 HZ2 LYS 94 16.525 -4.714 2.239 820 HZ3 LYS 94 HZ3 LYS 94 14.891 -4.830 2.659 821 H ALA 95 H ALA 95 10.986 -3.272 4.951 822 HA ALA 95 HA ALA 95 12.712 -5.052 6.540 823 HB1 ALA 95 HB1 ALA 95 12.814 -3.268 8.200 824 HB2 ALA 95 HB2 ALA 95 11.733 -2.277 7.220 825 HB3 ALA 95 HB3 ALA 95 13.343 -2.680 6.623 826 H GLY 96 H GLY 96 9.740 -5.049 5.592 827 HA2 GLY 96 HA3 GLY 96 8.067 -6.426 6.594 828 HA3 GLY 96 HA2 GLY 96 8.669 -5.949 8.177 829 H PHE 97 H PHE 97 6.888 -4.847 5.347 830 HA PHE 97 HA PHE 97 6.233 -2.307 6.502 831 HB2 PHE 97 HB3 PHE 97 6.436 -2.727 4.038 832 HB3 PHE 97 HB2 PHE 97 4.958 -3.678 4.124 833 HD1 PHE 97 HD2 PHE 97 6.300 -0.285 4.821 834 HD2 PHE 97 HD1 PHE 97 2.896 -2.649 3.853 835 HE1 PHE 97 HE2 PHE 97 4.976 1.762 4.496 836 HE2 PHE 97 HE1 PHE 97 1.565 -0.605 3.526 837 HZ PHE 97 HZ PHE 97 2.606 1.604 3.849 838 H LEU 98 H LEU 98 4.283 -1.624 7.331 839 HA LEU 98 HA LEU 98 2.698 -3.587 8.674 840 HB2 LEU 98 HB3 LEU 98 3.252 -1.303 9.562 841 HB3 LEU 98 HB2 LEU 98 2.167 -0.631 8.362 842 HG LEU 98 HG LEU 98 0.313 -1.960 9.396 843 HD11 LEU 98 HD11 LEU 98 0.653 -2.830 11.654 844 HD12 LEU 98 HD12 LEU 98 2.373 -2.459 11.538 845 HD13 LEU 98 HD13 LEU 98 1.660 -3.671 10.474 846 HD21 LEU 98 HD21 LEU 98 0.049 -0.466 11.319 847 HD22 LEU 98 HD22 LEU 98 0.602 0.404 9.889 848 HD23 LEU 98 HD23 LEU 98 1.741 0.011 11.176 849 H CYS 99 H CYS 99 1.570 -4.842 7.271 850 HA CYS 99 HA CYS 99 -0.338 -3.477 5.492 851 HB2 CYS 99 HB3 CYS 99 1.526 -4.355 4.161 852 HB3 CYS 99 HB2 CYS 99 1.299 -5.948 4.869 853 HG CYS 99 HG CYS 99 -1.166 -6.411 3.675 854 HA PRO 100 HA PRO 100 -3.386 -6.165 7.396 855 HB2 PRO 100 HB2 PRO 100 -4.786 -5.942 4.803 856 HB3 PRO 100 HB3 PRO 100 -5.347 -5.509 6.421 857 HG2 PRO 100 HG3 PRO 100 -4.706 -3.639 4.608 858 HG3 PRO 100 HG2 PRO 100 -4.388 -3.412 6.338 859 HD2 PRO 100 HD3 PRO 100 -2.497 -4.142 4.140 860 HD3 PRO 100 HD2 PRO 100 -2.246 -3.077 5.539 861 H ASP 101 H ASP 101 -4.003 -8.331 7.218 862 HA ASP 101 HA ASP 101 -2.248 -10.038 5.849 863 HB2 ASP 101 HB3 ASP 101 -3.715 -11.859 6.601 864 HB3 ASP 101 HB2 ASP 101 -3.415 -10.706 7.898 865 H LEU 102 H LEU 102 -5.322 -8.701 4.954 866 HA LEU 102 HA LEU 102 -6.580 -8.768 3.068 867 HB2 LEU 102 HB3 LEU 102 -3.913 -9.515 1.870 868 HB3 LEU 102 HB2 LEU 102 -5.338 -9.137 0.923 869 HG LEU 102 HG LEU 102 -3.909 -7.249 2.797 870 HD11 LEU 102 HD11 LEU 102 -3.309 -6.045 0.767 871 HD12 LEU 102 HD12 LEU 102 -4.112 -7.273 -0.212 872 HD13 LEU 102 HD13 LEU 102 -2.680 -7.694 0.729 873 HD21 LEU 102 HD21 LEU 102 -6.295 -6.797 1.008 874 HD22 LEU 102 HD22 LEU 102 -5.444 -5.554 1.926 875 HD23 LEU 102 HD23 LEU 102 -6.310 -6.837 2.771 876 H SER 103 H SER 103 -6.552 -11.116 4.688 877 HA SER 103 HA SER 103 -7.422 -13.018 2.621 878 HB2 SER 103 HB3 SER 103 -6.001 -13.836 5.166 879 HB3 SER 103 HB2 SER 103 -6.458 -14.873 3.815 880 HG SER 103 HG SER 103 -4.691 -12.675 3.523 881 H ASP 104 H ASP 104 -7.704 -11.775 5.901 882 HA ASP 104 HA ASP 104 -10.060 -13.338 6.501 883 HB2 ASP 104 HB3 ASP 104 -8.495 -12.672 8.280 884 HB3 ASP 104 HB2 ASP 104 -8.851 -10.978 7.959 885 H ALA 105 H ALA 105 -12.129 -12.776 6.264 886 HA ALA 105 HA ALA 105 -12.732 -10.639 4.469 887 HB1 ALA 105 HB1 ALA 105 -15.019 -11.438 4.585 888 HB2 ALA 105 HB2 ALA 105 -14.622 -12.436 5.984 889 HB3 ALA 105 HB3 ALA 105 -13.906 -12.794 4.412 890 H LYS 106 H LYS 106 -13.079 -11.070 7.951 891 HA LYS 106 HA LYS 106 -14.800 -8.788 8.203 892 HB2 LYS 106 HB3 LYS 106 -13.422 -10.568 10.187 893 HB3 LYS 106 HB2 LYS 106 -14.212 -9.081 10.705 894 HG2 LYS 106 HG3 LYS 106 -16.307 -9.871 9.659 895 HG3 LYS 106 HG2 LYS 106 -15.502 -11.387 9.260 896 HD2 LYS 106 HD3 LYS 106 -15.279 -11.975 11.542 897 HD3 LYS 106 HD2 LYS 106 -15.714 -10.349 12.077 898 HE2 LYS 106 HE3 LYS 106 -17.971 -10.647 11.235 899 HE3 LYS 106 HE2 LYS 106 -17.549 -12.237 10.601 900 HZ1 LYS 106 HZ1 LYS 106 -18.756 -12.099 12.833 901 HZ2 LYS 106 HZ2 LYS 106 -17.260 -11.626 13.476 902 HZ3 LYS 106 HZ3 LYS 106 -17.421 -13.136 12.716 903 H ASN 107 H ASN 107 -11.338 -9.395 8.550 904 HA ASN 107 HA ASN 107 -10.653 -6.758 9.325 905 HB2 ASN 107 HB3 ASN 107 -9.085 -8.792 7.720 906 HB3 ASN 107 HB2 ASN 107 -8.421 -7.256 8.263 907 HD21 ASN 107 HD22 ASN 107 -7.428 -9.825 8.911 908 HD22 ASN 107 HD21 ASN 107 -7.590 -10.037 10.621 909 H MET 108 H MET 108 -11.299 -8.274 6.223 910 HA MET 108 HA MET 108 -10.674 -6.102 4.542 911 HB2 MET 108 HB3 MET 108 -11.111 -8.458 3.805 912 HB3 MET 108 HB2 MET 108 -12.817 -8.200 4.129 913 HG2 MET 108 HG3 MET 108 -12.873 -7.729 1.936 914 HG3 MET 108 HG2 MET 108 -12.359 -6.135 2.482 915 HE1 MET 108 HE1 MET 108 -9.907 -5.207 2.266 916 HE2 MET 108 HE2 MET 108 -8.532 -6.164 1.722 917 HE3 MET 108 HE3 MET 108 -9.317 -6.540 3.259 918 H GLU 109 H GLU 109 -13.554 -6.963 6.374 919 HA GLU 109 HA GLU 109 -15.302 -5.015 5.336 920 HB2 GLU 109 HB3 GLU 109 -15.252 -6.395 8.020 921 HB3 GLU 109 HB2 GLU 109 -16.566 -5.359 7.479 922 HG2 GLU 109 HG3 GLU 109 -15.656 -7.916 6.182 923 HG3 GLU 109 HG2 GLU 109 -17.119 -7.685 7.141 924 H PHE 110 H PHE 110 -13.418 -4.981 8.374 925 HA PHE 110 HA PHE 110 -14.037 -2.347 9.100 926 HB2 PHE 110 HB3 PHE 110 -11.653 -4.082 9.726 927 HB3 PHE 110 HB2 PHE 110 -11.828 -2.461 10.385 928 HD1 PHE 110 HD1 PHE 110 -13.902 -1.957 11.755 929 HD2 PHE 110 HD2 PHE 110 -12.663 -5.902 10.764 930 HE1 PHE 110 HE1 PHE 110 -15.260 -2.844 13.607 931 HE2 PHE 110 HE2 PHE 110 -14.019 -6.799 12.609 932 HZ PHE 110 HZ PHE 110 -15.321 -5.268 14.034 933 H LEU 111 H LEU 111 -11.634 -3.644 6.933 934 HA LEU 111 HA LEU 111 -10.112 -1.328 6.497 935 HB2 LEU 111 HB3 LEU 111 -9.447 -3.600 5.828 936 HB3 LEU 111 HB2 LEU 111 -10.730 -3.629 4.639 937 HG LEU 111 HG LEU 111 -8.737 -1.456 4.376 938 HD11 LEU 111 HD11 LEU 111 -7.173 -2.936 3.211 939 HD12 LEU 111 HD12 LEU 111 -8.127 -4.327 3.723 940 HD13 LEU 111 HD13 LEU 111 -7.304 -3.334 4.924 941 HD21 LEU 111 HD21 LEU 111 -9.027 -1.984 2.005 942 HD22 LEU 111 HD22 LEU 111 -10.561 -1.641 2.804 943 HD23 LEU 111 HD23 LEU 111 -10.106 -3.305 2.448 944 H ARG 112 H ARG 112 -13.030 -2.560 4.884 945 HA ARG 112 HA ARG 112 -13.157 -0.365 3.042 946 HB2 ARG 112 HB3 ARG 112 -15.134 -2.525 3.760 947 HB3 ARG 112 HB2 ARG 112 -15.481 -1.270 2.579 948 HG2 ARG 112 HG3 ARG 112 -13.374 -2.032 1.381 949 HG3 ARG 112 HG2 ARG 112 -13.419 -3.443 2.437 950 HD2 ARG 112 HD3 ARG 112 -15.749 -2.598 0.734 951 HD3 ARG 112 HD2 ARG 112 -14.498 -3.698 0.160 952 HE ARG 112 HE ARG 112 -15.550 -4.635 2.609 953 HH11 ARG 112 HH11 ARG 112 -16.387 -4.267 -0.765 954 HH12 ARG 112 HH12 ARG 112 -17.490 -5.608 -0.786 955 HH21 ARG 112 HH22 ARG 112 -16.971 -6.459 2.594 956 HH22 ARG 112 HH21 ARG 112 -17.811 -6.862 1.119 957 H ASN 113 H ASN 113 -14.126 -0.827 6.284 958 HA ASN 113 HA ASN 113 -15.981 1.456 6.148 959 HB2 ASN 113 HB3 ASN 113 -15.680 -0.832 8.062 960 HB3 ASN 113 HB2 ASN 113 -16.428 0.664 8.608 961 HD21 ASN 113 HD22 ASN 113 -16.770 -0.407 5.313 962 HD22 ASN 113 HD21 ASN 113 -18.438 -0.860 5.427 963 H TRP 114 H TRP 114 -12.920 1.368 6.271 964 HA TRP 114 HA TRP 114 -12.317 2.646 8.782 965 HB2 TRP 114 HB3 TRP 114 -10.636 1.237 7.720 966 HB3 TRP 114 HB2 TRP 114 -10.651 2.257 6.286 967 HD1 TRP 114 HD1 TRP 114 -9.758 2.575 10.054 968 HE1 TRP 114 HE1 TRP 114 -7.805 4.246 10.258 969 HE3 TRP 114 HE3 TRP 114 -9.345 3.943 5.148 970 HZ2 TRP 114 HZ2 TRP 114 -6.294 5.907 8.559 971 HZ3 TRP 114 HZ3 TRP 114 -7.619 5.579 4.522 972 HH2 TRP 114 HH2 TRP 114 -6.125 6.541 6.194 973 H ASN 115 H ASN 115 -13.209 4.605 9.067 974 HA ASN 115 HA ASN 115 -13.449 6.437 6.829 975 HB2 ASN 115 HB3 ASN 115 -14.753 7.837 8.363 976 HB3 ASN 115 HB2 ASN 115 -15.355 6.184 8.337 977 HD21 ASN 115 HD22 ASN 115 -13.810 8.643 10.211 978 HD22 ASN 115 HD21 ASN 115 -13.880 7.819 11.732 979 H GLY 116 H GLY 116 -10.891 5.729 8.574 980 HA2 GLY 116 HA3 GLY 116 -8.945 7.132 8.218 981 HA3 GLY 116 HA2 GLY 116 -9.962 8.528 8.529 982 H THR 117 H THR 117 -10.981 6.442 10.757 983 HA THR 117 HA THR 117 -9.822 7.754 12.932 984 HB THR 117 HB THR 117 -10.945 4.954 13.034 985 HG1 THR 117 HG1 THR 117 -12.495 7.335 13.213 986 HG21 THR 117 HG21 THR 117 -11.742 5.660 15.238 987 HG22 THR 117 HG22 THR 117 -11.029 7.255 14.993 988 HG23 THR 117 HG23 THR 117 -9.991 5.834 15.117 989 H PHE 118 H PHE 118 -7.897 7.551 13.907 990 HA PHE 118 HA PHE 118 -5.966 5.661 12.990 991 HB2 PHE 118 HB3 PHE 118 -5.925 7.541 15.359 992 HB3 PHE 118 HB2 PHE 118 -4.552 6.563 14.850 993 HD1 PHE 118 HD2 PHE 118 -6.647 9.451 14.051 994 HD2 PHE 118 HD1 PHE 118 -3.310 7.096 12.859 995 HE1 PHE 118 HE2 PHE 118 -5.955 11.227 12.496 996 HE2 PHE 118 HE1 PHE 118 -2.611 8.870 11.304 997 HZ PHE 118 HZ PHE 118 -3.936 10.938 11.120 998 H GLY 119 H GLY 119 -8.017 5.908 15.847 999 HA2 GLY 119 HA3 GLY 119 -6.968 3.646 17.202 1000 HA3 GLY 119 HA2 GLY 119 -8.538 4.382 17.483 1001 H LEU 120 H LEU 120 -8.957 3.904 14.447 1002 HA LEU 120 HA LEU 120 -10.363 1.435 14.715 1003 HB2 LEU 120 HB3 LEU 120 -10.769 3.526 13.153 1004 HB3 LEU 120 HB2 LEU 120 -9.710 2.659 12.060 1005 HG LEU 120 HG LEU 120 -12.242 1.456 13.181 1006 HD11 LEU 120 HD11 LEU 120 -11.835 2.900 10.566 1007 HD12 LEU 120 HD12 LEU 120 -12.804 3.464 11.927 1008 HD13 LEU 120 HD13 LEU 120 -13.284 2.015 11.042 1009 HD21 LEU 120 HD21 LEU 120 -10.512 0.724 10.817 1010 HD22 LEU 120 HD22 LEU 120 -12.026 -0.062 11.267 1011 HD23 LEU 120 HD23 LEU 120 -10.629 -0.164 12.339 1012 H LEU 121 H LEU 121 -7.209 2.404 13.686 1013 HA LEU 121 HA LEU 121 -6.512 0.128 12.167 1014 HB2 LEU 121 HB3 LEU 121 -4.729 1.935 13.803 1015 HB3 LEU 121 HB2 LEU 121 -4.186 0.807 12.575 1016 HG LEU 121 HG LEU 121 -5.920 3.233 12.091 1017 HD11 LEU 121 HD11 LEU 121 -3.958 4.124 10.945 1018 HD12 LEU 121 HD12 LEU 121 -3.033 2.699 11.416 1019 HD13 LEU 121 HD13 LEU 121 -3.625 3.814 12.649 1020 HD21 LEU 121 HD21 LEU 121 -6.433 1.420 10.539 1021 HD22 LEU 121 HD22 LEU 121 -4.721 1.261 10.145 1022 HD23 LEU 121 HD23 LEU 121 -5.591 2.734 9.719 1023 H ASN 122 H ASN 122 -6.919 0.640 15.533 1024 HA ASN 122 HA ASN 122 -5.312 -1.566 16.411 1025 HB2 ASN 122 HB3 ASN 122 -7.491 -0.008 17.819 1026 HB3 ASN 122 HB2 ASN 122 -6.487 -1.231 18.589 1027 HD21 ASN 122 HD22 ASN 122 -4.290 -0.806 18.928 1028 HD22 ASN 122 HD21 ASN 122 -3.673 0.819 18.924 1029 H THR 123 H THR 123 -8.433 -1.233 15.041 1030 HA THR 123 HA THR 123 -9.295 -3.832 16.050 1031 HB THR 123 HB THR 123 -11.439 -3.412 15.022 1032 HG1 THR 123 HG1 THR 123 -9.998 -1.494 13.613 1033 HG21 THR 123 HG21 THR 123 -10.418 -0.910 16.370 1034 HG22 THR 123 HG22 THR 123 -11.029 -2.348 17.190 1035 HG23 THR 123 HG23 THR 123 -12.111 -1.374 16.195 1036 H LEU 124 H LEU 124 -7.498 -2.580 13.586 1037 HA LEU 124 HA LEU 124 -8.189 -4.663 11.658 1038 HB2 LEU 124 HB3 LEU 124 -6.531 -2.161 11.488 1039 HB3 LEU 124 HB2 LEU 124 -6.487 -3.389 10.236 1040 HG LEU 124 HG LEU 124 -9.016 -1.991 11.099 1041 HD11 LEU 124 HD11 LEU 124 -8.795 -0.672 9.051 1042 HD12 LEU 124 HD12 LEU 124 -7.205 -1.382 8.766 1043 HD13 LEU 124 HD13 LEU 124 -7.473 -0.353 10.174 1044 HD21 LEU 124 HD21 LEU 124 -8.330 -3.674 8.693 1045 HD22 LEU 124 HD22 LEU 124 -9.875 -2.874 8.986 1046 HD23 LEU 124 HD23 LEU 124 -9.336 -4.167 10.056 1047 H ARG 125 H ARG 125 -6.953 -6.425 11.411 1048 HA ARG 125 HA ARG 125 -4.601 -6.725 13.033 1049 HB2 ARG 125 HB3 ARG 125 -6.049 -8.542 11.133 1050 HB3 ARG 125 HB2 ARG 125 -4.465 -8.972 11.769 1051 HG2 ARG 125 HG3 ARG 125 -5.301 -8.841 14.034 1052 HG3 ARG 125 HG2 ARG 125 -6.875 -8.309 13.445 1053 HD2 ARG 125 HD3 ARG 125 -7.257 -10.424 12.383 1054 HD3 ARG 125 HD2 ARG 125 -5.614 -10.954 12.748 1055 HE ARG 125 HE ARG 125 -6.259 -11.439 14.897 1056 HH11 ARG 125 HH11 ARG 125 -8.782 -9.586 13.315 1057 HH12 ARG 125 HH12 ARG 125 -9.920 -9.789 14.600 1058 HH21 ARG 125 HH22 ARG 125 -7.754 -11.722 16.596 1059 HH22 ARG 125 HH21 ARG 125 -9.343 -11.021 16.474 1060 H LEU 126 H LEU 126 -3.468 -4.982 12.167 1061 HA LEU 126 HA LEU 126 -2.387 -5.213 9.485 1062 HB2 LEU 126 HB3 LEU 126 -1.819 -3.206 11.671 1063 HB3 LEU 126 HB2 LEU 126 -1.326 -3.072 9.992 1064 HG LEU 126 HG LEU 126 -4.216 -3.193 10.840 1065 HD11 LEU 126 HD11 LEU 126 -2.563 -0.744 10.260 1066 HD12 LEU 126 HD12 LEU 126 -3.135 -1.241 11.852 1067 HD13 LEU 126 HD13 LEU 126 -4.294 -0.790 10.601 1068 HD21 LEU 126 HD21 LEU 126 -3.772 -3.799 8.526 1069 HD22 LEU 126 HD22 LEU 126 -2.873 -2.299 8.295 1070 HD23 LEU 126 HD23 LEU 126 -4.606 -2.249 8.620 1071 H ILE 127 H ILE 127 -0.834 -6.653 9.232 1072 HA ILE 127 HA ILE 127 1.012 -7.156 11.463 1073 HB ILE 127 HB ILE 127 1.480 -9.321 10.284 1074 HG12 ILE 127 HG13 ILE 127 -0.898 -8.467 8.609 1075 HG13 ILE 127 HG12 ILE 127 0.755 -8.659 8.037 1076 HG21 ILE 127 HG21 ILE 127 -0.030 -9.218 12.187 1077 HG22 ILE 127 HG22 ILE 127 -0.597 -10.405 11.013 1078 HG23 ILE 127 HG23 ILE 127 -1.378 -8.827 11.118 1079 HD11 ILE 127 HD11 ILE 127 0.644 -11.046 8.485 1080 HD12 ILE 127 HD12 ILE 127 -0.650 -10.540 7.400 1081 HD13 ILE 127 HD13 ILE 127 -0.999 -10.861 9.099 1082 H ARG 128 H ARG 128 3.111 -8.273 10.384 1083 HA ARG 128 HA ARG 128 4.213 -6.198 8.647 1084 HB2 ARG 128 HB3 ARG 128 5.451 -8.293 10.418 1085 HB3 ARG 128 HB2 ARG 128 6.399 -7.444 9.207 1086 HG2 ARG 128 HG3 ARG 128 6.084 -5.364 10.280 1087 HG3 ARG 128 HG2 ARG 128 4.820 -6.015 11.325 1088 HD2 ARG 128 HD3 ARG 128 6.387 -7.330 12.535 1089 HD3 ARG 128 HD2 ARG 128 7.663 -6.999 11.366 1090 HE ARG 128 HE ARG 128 8.131 -5.087 12.504 1091 HH11 ARG 128 HH11 ARG 128 4.838 -6.014 13.314 1092 HH12 ARG 128 HH12 ARG 128 4.660 -4.761 14.511 1093 HH21 ARG 128 HH22 ARG 128 7.896 -3.480 14.083 1094 HH22 ARG 128 HH21 ARG 128 6.391 -3.318 14.940 1095 H ILE 129 H ILE 129 4.004 -6.592 6.564 1096 HA ILE 129 HA ILE 129 4.500 -9.336 5.607 1097 HB ILE 129 HB ILE 129 2.774 -7.183 4.389 1098 HG12 ILE 129 HG13 ILE 129 2.137 -9.910 5.530 1099 HG13 ILE 129 HG12 ILE 129 1.687 -8.353 6.218 1100 HG21 ILE 129 HG21 ILE 129 3.462 -9.900 3.281 1101 HG22 ILE 129 HG22 ILE 129 3.965 -8.343 2.621 1102 HG23 ILE 129 HG23 ILE 129 2.259 -8.796 2.611 1103 HD11 ILE 129 HD11 ILE 129 0.225 -7.927 4.323 1104 HD12 ILE 129 HD12 ILE 129 -0.194 -9.442 5.123 1105 HD13 ILE 129 HD13 ILE 129 0.700 -9.465 3.602 1106 H ASN 130 H ASN 130 6.073 -9.620 4.105 1107 HA ASN 130 HA ASN 130 7.420 -7.219 3.098 1108 HB2 ASN 130 HB3 ASN 130 8.507 -7.911 5.226 1109 HB3 ASN 130 HB2 ASN 130 8.847 -9.483 4.512 1110 HD21 ASN 130 HD22 ASN 130 11.061 -9.240 4.727 1111 HD22 ASN 130 HD21 ASN 130 11.972 -8.137 3.755 1112 H ASP 131 H ASP 131 8.920 -7.612 1.413 1113 HA ASP 131 HA ASP 131 9.900 -8.574 -0.357 1114 HB2 ASP 131 HB3 ASP 131 10.478 -10.404 1.164 1115 HB3 ASP 131 HB2 ASP 131 8.938 -11.184 0.826 1116 H LYS 132 H LYS 132 7.375 -11.052 -0.242 1117 HA LYS 132 HA LYS 132 6.120 -9.747 -2.550 1118 HB2 LYS 132 HB3 LYS 132 7.205 -12.555 -2.440 1119 HB3 LYS 132 HB2 LYS 132 5.973 -12.078 -3.600 1120 HG2 LYS 132 HG3 LYS 132 7.505 -10.340 -4.461 1121 HG3 LYS 132 HG2 LYS 132 8.743 -10.918 -3.347 1122 HD2 LYS 132 HD3 LYS 132 7.465 -12.869 -5.203 1123 HD3 LYS 132 HD2 LYS 132 8.653 -11.739 -5.852 1124 HE2 LYS 132 HE3 LYS 132 9.677 -13.868 -5.208 1125 HE3 LYS 132 HE2 LYS 132 10.306 -12.525 -4.257 1126 HZ1 LYS 132 HZ1 LYS 132 9.746 -14.641 -3.026 1127 HZ2 LYS 132 HZ2 LYS 132 8.114 -14.255 -3.276 1128 HZ3 LYS 132 HZ3 LYS 132 9.112 -13.206 -2.383 1129 H GLY 133 H GLY 133 5.443 -10.329 0.359 1130 HA2 GLY 133 HA3 GLY 133 3.087 -10.056 0.892 1131 HA3 GLY 133 HA2 GLY 133 2.729 -11.260 -0.334 1132 H GLU 134 H GLU 134 5.335 -11.643 1.987 1133 HA GLU 134 HA GLU 134 3.780 -13.831 3.180 1134 HB2 GLU 134 HB3 GLU 134 6.754 -13.433 2.922 1135 HB3 GLU 134 HB2 GLU 134 6.050 -14.646 3.985 1136 HG2 GLU 134 HG3 GLU 134 4.932 -15.670 2.063 1137 HG3 GLU 134 HG2 GLU 134 5.668 -14.468 1.005 1138 H GLN 135 H GLN 135 3.648 -14.094 5.370 1139 HA GLN 135 HA GLN 135 3.628 -11.627 6.844 1140 HB2 GLN 135 HB3 GLN 135 1.822 -13.287 7.044 1141 HB3 GLN 135 HB2 GLN 135 2.961 -14.444 7.715 1142 HG2 GLN 135 HG3 GLN 135 3.301 -13.023 9.650 1143 HG3 GLN 135 HG2 GLN 135 2.220 -11.810 8.967 1144 HE21 GLN 135 HE22 GLN 135 2.016 -13.265 11.479 1145 HE22 GLN 135 HE21 GLN 135 0.504 -14.098 11.436 1146 H VAL 136 H VAL 136 5.232 -10.852 7.970 1147 HA VAL 136 HA VAL 136 7.480 -12.574 8.716 1148 HB VAL 136 HB VAL 136 7.340 -9.578 9.017 1149 HG11 VAL 136 HG11 VAL 136 9.164 -10.668 10.179 1150 HG12 VAL 136 HG12 VAL 136 9.781 -9.727 8.822 1151 HG13 VAL 136 HG13 VAL 136 9.654 -11.481 8.694 1152 HG21 VAL 136 HG21 VAL 136 6.790 -10.019 6.709 1153 HG22 VAL 136 HG22 VAL 136 8.160 -11.123 6.561 1154 HG23 VAL 136 HG23 VAL 136 8.440 -9.399 6.812 1155 H VAL 137 H VAL 137 7.186 -13.512 10.660 1156 HA VAL 137 HA VAL 137 5.781 -12.051 12.761 1157 HB VAL 137 HB VAL 137 5.904 -14.141 14.057 1158 HG11 VAL 137 HG11 VAL 137 4.007 -13.748 12.584 1159 HG12 VAL 137 HG12 VAL 137 4.405 -15.465 12.648 1160 HG13 VAL 137 HG13 VAL 137 4.873 -14.502 11.246 1161 HG21 VAL 137 HG21 VAL 137 8.019 -15.004 13.212 1162 HG22 VAL 137 HG22 VAL 137 7.297 -15.253 11.622 1163 HG23 VAL 137 HG23 VAL 137 6.734 -16.194 13.004 1164 H GLY 138 H GLY 138 6.761 -12.386 15.049 1165 HA2 GLY 138 HA3 GLY 138 9.515 -11.366 14.866 1166 HA3 GLY 138 HA2 GLY 138 8.412 -11.112 16.213 1167 H GLY 139 H GLY 139 8.188 -14.274 15.226 1168 HA2 GLY 139 HA3 GLY 139 9.250 -16.244 15.864 1169 HA3 GLY 139 HA2 GLY 139 10.481 -15.287 16.679 1170 H ASN 140 H ASN 140 7.328 -14.350 17.443 1171 HA ASN 140 HA ASN 140 7.538 -15.713 20.043 1172 HB2 ASN 140 HB3 ASN 140 5.914 -13.264 19.299 1173 HB3 ASN 140 HB2 ASN 140 6.070 -13.952 20.912 1174 HD21 ASN 140 HD22 ASN 140 6.722 -11.298 19.860 1175 HD22 ASN 140 HD21 ASN 140 8.390 -11.029 20.243 1176 H GLU 141 H GLU 141 5.132 -14.617 17.686 1177 HA GLU 141 HA GLU 141 3.640 -17.107 18.080 1178 HB2 GLU 141 HB3 GLU 141 2.373 -14.361 17.959 1179 HB3 GLU 141 HB2 GLU 141 1.517 -15.890 18.069 1180 HG2 GLU 141 HG3 GLU 141 2.486 -16.268 20.283 1181 HG3 GLU 141 HG2 GLU 141 3.328 -14.721 20.169 Start of MODEL 11 1 H MET 1 H MET 1 -2.306 36.863 15.496 2 HA MET 1 HA MET 1 -0.244 38.015 15.084 3 HB2 MET 1 HB3 MET 1 0.969 35.259 15.399 4 HB3 MET 1 HB2 MET 1 1.827 36.676 14.809 5 HG2 MET 1 HG3 MET 1 1.511 37.784 16.942 6 HG3 MET 1 HG2 MET 1 0.588 36.408 17.538 7 HE1 MET 1 HE1 MET 1 2.086 36.213 19.672 8 HE2 MET 1 HE2 MET 1 3.023 37.614 19.148 9 HE3 MET 1 HE3 MET 1 3.847 36.136 19.641 10 H ARG 2 H ARG 2 1.166 37.491 12.978 11 HA ARG 2 HA ARG 2 -0.854 36.669 11.022 12 HB2 ARG 2 HB3 ARG 2 1.731 38.192 10.645 13 HB3 ARG 2 HB2 ARG 2 0.562 37.848 9.380 14 HG2 ARG 2 HG3 ARG 2 -1.110 39.187 10.589 15 HG3 ARG 2 HG2 ARG 2 0.108 39.568 11.810 16 HD2 ARG 2 HD3 ARG 2 -0.063 41.388 10.219 17 HD3 ARG 2 HD2 ARG 2 1.506 40.597 10.065 18 HE ARG 2 HE ARG 2 -0.719 39.959 8.239 19 HH11 ARG 2 HH11 ARG 2 2.577 41.046 8.775 20 HH12 ARG 2 HH12 ARG 2 3.000 40.983 7.086 21 HH21 ARG 2 HH22 ARG 2 -0.161 39.869 6.030 22 HH22 ARG 2 HH21 ARG 2 1.447 40.312 5.525 23 H GLU 3 H GLU 3 -0.741 34.629 10.357 24 HA GLU 3 HA GLU 3 1.712 33.132 10.364 25 HB2 GLU 3 HB3 GLU 3 -1.074 32.533 9.381 26 HB3 GLU 3 HB2 GLU 3 0.261 31.413 9.161 27 HG2 GLU 3 HG3 GLU 3 -0.709 32.440 11.816 28 HG3 GLU 3 HG2 GLU 3 -1.136 30.881 11.110 29 H ASP 4 H ASP 4 2.591 32.103 8.447 30 HA ASP 4 HA ASP 4 2.572 33.941 6.166 31 HB2 ASP 4 HB3 ASP 4 4.453 31.646 6.768 32 HB3 ASP 4 HB2 ASP 4 4.618 32.797 5.450 33 H LYS 5 H LYS 5 2.444 33.111 4.018 34 HA LYS 5 HA LYS 5 0.634 30.899 3.707 35 HB2 LYS 5 HB3 LYS 5 2.141 32.474 1.608 36 HB3 LYS 5 HB2 LYS 5 0.792 31.387 1.312 37 HG2 LYS 5 HG3 LYS 5 -0.688 32.844 2.565 38 HG3 LYS 5 HG2 LYS 5 0.663 33.918 2.935 39 HD2 LYS 5 HD3 LYS 5 0.968 34.306 0.514 40 HD3 LYS 5 HD2 LYS 5 -0.456 33.309 0.203 41 HE2 LYS 5 HE3 LYS 5 -1.841 34.848 1.457 42 HE3 LYS 5 HE2 LYS 5 -0.429 35.816 1.876 43 HZ1 LYS 5 HZ1 LYS 5 -1.571 35.411 -0.832 44 HZ2 LYS 5 HZ2 LYS 5 -0.110 36.215 -0.523 45 HZ3 LYS 5 HZ3 LYS 5 -1.566 36.846 0.071 46 H ILE 6 H ILE 6 4.029 31.499 3.460 47 HA ILE 6 HA ILE 6 4.483 28.653 2.865 48 HB ILE 6 HB ILE 6 6.314 30.963 2.165 49 HG12 ILE 6 HG13 ILE 6 4.645 29.207 0.348 50 HG13 ILE 6 HG12 ILE 6 4.268 30.875 0.762 51 HG21 ILE 6 HG21 ILE 6 6.520 28.016 1.546 52 HG22 ILE 6 HG22 ILE 6 7.531 28.918 2.674 53 HG23 ILE 6 HG23 ILE 6 7.609 29.268 0.947 54 HD11 ILE 6 HD11 ILE 6 5.284 30.726 -1.432 55 HD12 ILE 6 HD12 ILE 6 6.698 29.931 -0.741 56 HD13 ILE 6 HD13 ILE 6 6.334 31.605 -0.319 57 H ALA 7 H ALA 7 5.338 27.597 4.528 58 HA ALA 7 HA ALA 7 6.219 28.907 6.889 59 HB1 ALA 7 HB1 ALA 7 6.587 26.031 6.056 60 HB2 ALA 7 HB2 ALA 7 5.196 26.683 6.923 61 HB3 ALA 7 HB3 ALA 7 6.785 26.674 7.687 62 H ALA 8 H ALA 8 8.375 28.606 7.868 63 HA ALA 8 HA ALA 8 10.430 29.596 6.261 64 HB1 ALA 8 HB1 ALA 8 10.698 28.126 8.882 65 HB2 ALA 8 HB2 ALA 8 10.364 29.848 8.702 66 HB3 ALA 8 HB3 ALA 8 11.903 29.186 8.152 67 H LYS 9 H LYS 9 9.490 26.333 7.012 68 HA LYS 9 HA LYS 9 11.613 25.363 5.227 69 HB2 LYS 9 HB3 LYS 9 10.324 24.035 7.607 70 HB3 LYS 9 HB2 LYS 9 11.229 23.130 6.400 71 HG2 LYS 9 HG3 LYS 9 13.225 24.382 6.886 72 HG3 LYS 9 HG2 LYS 9 12.340 25.427 7.998 73 HD2 LYS 9 HD3 LYS 9 11.943 23.580 9.491 74 HD3 LYS 9 HD2 LYS 9 12.664 22.448 8.344 75 HE2 LYS 9 HE3 LYS 9 14.178 23.086 10.213 76 HE3 LYS 9 HE2 LYS 9 14.822 23.454 8.614 77 HZ1 LYS 9 HZ1 LYS 9 13.461 25.434 10.363 78 HZ2 LYS 9 HZ2 LYS 9 14.253 25.745 8.894 79 HZ3 LYS 9 HZ3 LYS 9 15.145 25.252 10.249 80 H LYS 10 H LYS 10 10.982 23.393 3.998 81 HA LYS 10 HA LYS 10 8.541 23.996 2.637 82 HB2 LYS 10 HB3 LYS 10 10.778 22.076 2.203 83 HB3 LYS 10 HB2 LYS 10 9.249 21.782 1.391 84 HG2 LYS 10 HG3 LYS 10 9.468 24.226 0.589 85 HG3 LYS 10 HG2 LYS 10 11.165 24.048 1.045 86 HD2 LYS 10 HD3 LYS 10 11.165 23.430 -1.195 87 HD3 LYS 10 HD2 LYS 10 11.079 21.880 -0.359 88 HE2 LYS 10 HE3 LYS 10 8.805 23.381 -1.661 89 HE3 LYS 10 HE2 LYS 10 9.530 21.875 -2.212 90 HZ1 LYS 10 HZ1 LYS 10 8.758 20.992 0.069 91 HZ2 LYS 10 HZ2 LYS 10 7.603 21.191 -1.153 92 HZ3 LYS 10 HZ3 LYS 10 7.735 22.340 0.084 93 H LYS 11 H LYS 11 6.619 23.143 2.914 94 HA LYS 11 HA LYS 11 5.923 20.939 4.490 95 HB2 LYS 11 HB3 LYS 11 4.312 22.569 3.558 96 HB3 LYS 11 HB2 LYS 11 4.650 21.980 1.941 97 HG2 LYS 11 HG3 LYS 11 3.680 19.823 2.502 98 HG3 LYS 11 HG2 LYS 11 3.380 20.378 4.154 99 HD2 LYS 11 HD3 LYS 11 1.914 22.135 3.308 100 HD3 LYS 11 HD2 LYS 11 2.235 21.620 1.654 101 HE2 LYS 11 HE3 LYS 11 1.195 19.465 2.111 102 HE3 LYS 11 HE2 LYS 11 0.904 19.950 3.782 103 HZ1 LYS 11 HZ1 LYS 11 -0.556 21.684 3.031 104 HZ2 LYS 11 HZ2 LYS 11 -1.060 20.219 2.340 105 HZ3 LYS 11 HZ3 LYS 11 -0.206 21.346 1.405 106 H LEU 12 H LEU 12 6.235 18.768 4.159 107 HA LEU 12 HA LEU 12 8.100 18.179 2.040 108 HB2 LEU 12 HB3 LEU 12 7.071 16.461 4.292 109 HB3 LEU 12 HB2 LEU 12 8.341 15.995 3.177 110 HG LEU 12 HG LEU 12 8.469 18.294 5.130 111 HD11 LEU 12 HD11 LEU 12 9.866 15.623 5.117 112 HD12 LEU 12 HD12 LEU 12 8.580 16.119 6.218 113 HD13 LEU 12 HD13 LEU 12 10.145 16.929 6.267 114 HD21 LEU 12 HD21 LEU 12 10.813 18.462 4.450 115 HD22 LEU 12 HD22 LEU 12 9.725 18.766 3.096 116 HD23 LEU 12 HD23 LEU 12 10.551 17.213 3.232 117 H HIS 13 H HIS 13 5.523 16.058 3.226 118 HA HIS 13 HA HIS 13 4.039 15.518 1.008 119 HB2 HIS 13 HB3 HIS 13 6.282 15.232 -0.152 120 HB3 HIS 13 HB2 HIS 13 6.555 13.831 0.872 121 HD1 HIS 13 HD1 HIS 13 5.039 11.725 0.422 122 HD2 HIS 13 HD2 HIS 13 4.661 14.815 -2.339 123 HE1 HIS 13 HE1 HIS 13 3.915 10.709 -1.589 124 HE2 HIS 13 HE2 HIS 13 3.958 12.532 -3.334 125 H GLN 14 H GLN 14 5.887 14.391 3.669 126 HA GLN 14 HA GLN 14 3.975 12.204 4.162 127 HB2 GLN 14 HB3 GLN 14 6.787 12.068 3.799 128 HB3 GLN 14 HB2 GLN 14 6.482 11.781 5.505 129 HG2 GLN 14 HG3 GLN 14 6.542 9.690 4.343 130 HG3 GLN 14 HG2 GLN 14 4.898 10.000 4.896 131 HE21 GLN 14 HE22 GLN 14 4.014 8.610 3.405 132 HE22 GLN 14 HE21 GLN 14 3.938 8.995 1.712 133 H ASP 15 H ASP 15 3.871 14.977 4.997 134 HA ASP 15 HA ASP 15 4.914 15.324 7.614 135 HB2 ASP 15 HB3 ASP 15 2.656 16.808 6.250 136 HB3 ASP 15 HB2 ASP 15 3.523 17.345 7.687 137 H LYS 16 H LYS 16 1.870 14.159 6.361 138 HA LYS 16 HA LYS 16 1.067 13.506 9.115 139 HB2 LYS 16 HB3 LYS 16 -0.670 14.085 6.711 140 HB3 LYS 16 HB2 LYS 16 -1.281 13.404 8.212 141 HG2 LYS 16 HG3 LYS 16 0.012 16.102 7.864 142 HG3 LYS 16 HG2 LYS 16 -1.699 15.778 8.148 143 HD2 LYS 16 HD3 LYS 16 -1.086 14.737 10.320 144 HD3 LYS 16 HD2 LYS 16 0.586 15.219 10.037 145 HE2 LYS 16 HE3 LYS 16 -0.414 16.847 11.470 146 HE3 LYS 16 HE2 LYS 16 -0.196 17.582 9.883 147 HZ1 LYS 16 HZ1 LYS 16 -2.362 18.115 10.782 148 HZ2 LYS 16 HZ2 LYS 16 -2.733 16.469 10.960 149 HZ3 LYS 16 HZ3 LYS 16 -2.537 17.135 9.410 150 H ARG 17 H ARG 17 0.378 11.410 9.531 151 HA ARG 17 HA ARG 17 1.737 9.500 7.895 152 HB2 ARG 17 HB3 ARG 17 -0.042 8.939 10.265 153 HB3 ARG 17 HB2 ARG 17 1.186 7.882 9.588 154 HG2 ARG 17 HG3 ARG 17 1.573 10.432 11.124 155 HG3 ARG 17 HG2 ARG 17 2.112 8.806 11.542 156 HD2 ARG 17 HD3 ARG 17 3.155 10.564 9.323 157 HD3 ARG 17 HD2 ARG 17 4.002 10.088 10.794 158 HE ARG 17 HE ARG 17 3.493 8.424 8.431 159 HH11 ARG 17 HH11 ARG 17 4.795 8.693 11.687 160 HH12 ARG 17 HH12 ARG 17 5.842 7.319 11.502 161 HH21 ARG 17 HH22 ARG 17 4.864 6.637 8.207 162 HH22 ARG 17 HH21 ARG 17 5.876 6.141 9.531 163 H VAL 18 H VAL 18 -1.222 10.822 7.459 164 HA VAL 18 HA VAL 18 -2.733 8.506 6.760 165 HB VAL 18 HB VAL 18 -3.978 10.344 5.282 166 HG11 VAL 18 HG11 VAL 18 -4.156 10.053 8.274 167 HG12 VAL 18 HG12 VAL 18 -5.001 9.092 7.056 168 HG13 VAL 18 HG13 VAL 18 -5.385 10.803 7.255 169 HG21 VAL 18 HG21 VAL 18 -3.880 12.524 6.388 170 HG22 VAL 18 HG22 VAL 18 -2.330 12.080 5.675 171 HG23 VAL 18 HG23 VAL 18 -2.571 11.938 7.416 172 H HIS 19 H HIS 19 -0.023 9.739 5.368 173 HA HIS 19 HA HIS 19 -0.769 9.116 2.641 174 HB2 HIS 19 HB3 HIS 19 1.861 9.830 3.936 175 HB3 HIS 19 HB2 HIS 19 1.741 9.352 2.246 176 HD1 HIS 19 HD1 HIS 19 0.762 11.048 0.593 177 HD2 HIS 19 HD2 HIS 19 0.766 12.365 4.543 178 HE1 HIS 19 HE1 HIS 19 0.188 13.498 0.496 179 HE2 HIS 19 HE2 HIS 19 0.162 14.272 2.898 180 H GLU 20 H GLU 20 0.674 7.572 5.393 181 HA GLU 20 HA GLU 20 1.266 5.145 3.937 182 HB2 GLU 20 HB3 GLU 20 1.263 5.760 6.903 183 HB3 GLU 20 HB2 GLU 20 1.695 4.198 6.224 184 HG2 GLU 20 HG3 GLU 20 3.700 5.373 6.729 185 HG3 GLU 20 HG2 GLU 20 3.531 5.311 4.975 186 H LEU 21 H LEU 21 -1.179 6.420 6.116 187 HA LEU 21 HA LEU 21 -2.794 4.094 6.199 188 HB2 LEU 21 HB3 LEU 21 -3.637 6.981 6.485 189 HB3 LEU 21 HB2 LEU 21 -4.575 5.584 6.971 190 HG LEU 21 HG LEU 21 -1.947 6.440 8.190 191 HD11 LEU 21 HD11 LEU 21 -3.774 7.944 8.760 192 HD12 LEU 21 HD12 LEU 21 -3.294 6.979 10.156 193 HD13 LEU 21 HD13 LEU 21 -4.761 6.572 9.264 194 HD21 LEU 21 HD21 LEU 21 -2.407 4.711 9.858 195 HD22 LEU 21 HD22 LEU 21 -2.226 4.021 8.245 196 HD23 LEU 21 HD23 LEU 21 -3.833 4.213 8.948 197 H ALA 22 H ALA 22 -2.416 6.705 3.917 198 HA ALA 22 HA ALA 22 -4.715 6.327 2.377 199 HB1 ALA 22 HB1 ALA 22 -3.518 7.428 0.568 200 HB2 ALA 22 HB2 ALA 22 -1.990 7.191 1.417 201 HB3 ALA 22 HB3 ALA 22 -3.225 8.250 2.101 202 H ARG 23 H ARG 23 -1.863 4.391 2.672 203 HA ARG 23 HA ARG 23 -2.090 2.996 0.197 204 HB2 ARG 23 HB3 ARG 23 -0.828 2.029 2.774 205 HB3 ARG 23 HB2 ARG 23 -0.524 1.403 1.159 206 HG2 ARG 23 HG3 ARG 23 0.445 3.554 0.508 207 HG3 ARG 23 HG2 ARG 23 0.150 4.172 2.133 208 HD2 ARG 23 HD3 ARG 23 1.599 2.319 3.002 209 HD3 ARG 23 HD2 ARG 23 2.008 1.941 1.328 210 HE ARG 23 HE ARG 23 2.556 4.580 2.531 211 HH11 ARG 23 HH11 ARG 23 3.594 1.802 0.661 212 HH12 ARG 23 HH12 ARG 23 5.137 2.504 0.250 213 HH21 ARG 23 HH22 ARG 23 4.604 5.474 1.993 214 HH22 ARG 23 HH21 ARG 23 5.699 4.558 0.995 215 H VAL 24 H VAL 24 -3.312 2.501 3.462 216 HA VAL 24 HA VAL 24 -4.737 0.104 2.925 217 HB VAL 24 HB VAL 24 -5.209 2.235 5.028 218 HG11 VAL 24 HG11 VAL 24 -6.368 -0.546 4.849 219 HG12 VAL 24 HG12 VAL 24 -7.255 0.962 4.626 220 HG13 VAL 24 HG13 VAL 24 -6.561 0.572 6.200 221 HG21 VAL 24 HG21 VAL 24 -3.845 -0.451 5.180 222 HG22 VAL 24 HG22 VAL 24 -4.125 0.639 6.538 223 HG23 VAL 24 HG23 VAL 24 -3.051 1.123 5.225 224 H LYS 25 H LYS 25 -5.519 3.538 2.756 225 HA LYS 25 HA LYS 25 -8.235 3.235 2.072 226 HB2 LYS 25 HB3 LYS 25 -7.319 5.371 2.855 227 HB3 LYS 25 HB2 LYS 25 -6.356 5.503 1.387 228 HG2 LYS 25 HG3 LYS 25 -8.399 5.589 0.051 229 HG3 LYS 25 HG2 LYS 25 -9.364 5.460 1.521 230 HD2 LYS 25 HD3 LYS 25 -8.538 7.577 2.307 231 HD3 LYS 25 HD2 LYS 25 -7.412 7.683 0.951 232 HE2 LYS 25 HE3 LYS 25 -10.421 7.644 0.745 233 HE3 LYS 25 HE2 LYS 25 -9.400 9.072 0.590 234 HZ1 LYS 25 HZ1 LYS 25 -8.331 8.029 -1.332 235 HZ2 LYS 25 HZ2 LYS 25 -9.994 8.239 -1.575 236 HZ3 LYS 25 HZ3 LYS 25 -9.384 6.700 -1.208 237 H PHE 26 H PHE 26 -5.287 3.254 0.117 238 HA PHE 26 HA PHE 26 -6.501 3.294 -2.408 239 HB2 PHE 26 HB3 PHE 26 -4.112 3.510 -2.306 240 HB3 PHE 26 HB2 PHE 26 -3.946 1.962 -1.480 241 HD1 PHE 26 HD2 PHE 26 -5.369 3.325 -4.658 242 HD2 PHE 26 HD1 PHE 26 -3.266 0.167 -2.731 243 HE1 PHE 26 HE2 PHE 26 -5.128 2.169 -6.817 244 HE2 PHE 26 HE1 PHE 26 -3.026 -0.992 -4.885 245 HZ PHE 26 HZ PHE 26 -3.967 -0.001 -6.930 246 H MET 27 H MET 27 -5.695 0.578 -0.276 247 HA MET 27 HA MET 27 -6.802 -1.487 -1.802 248 HB2 MET 27 HB3 MET 27 -6.684 -1.170 1.204 249 HB3 MET 27 HB2 MET 27 -7.086 -2.668 0.376 250 HG2 MET 27 HG3 MET 27 -4.891 -2.754 -0.619 251 HG3 MET 27 HG2 MET 27 -4.483 -1.190 0.082 252 HE1 MET 27 HE1 MET 27 -2.781 -3.966 0.365 253 HE2 MET 27 HE2 MET 27 -2.259 -3.808 2.041 254 HE3 MET 27 HE3 MET 27 -2.238 -2.403 0.976 255 H GLN 28 H GLN 28 -8.296 0.566 0.682 256 HA GLN 28 HA GLN 28 -10.894 -0.370 0.639 257 HB2 GLN 28 HB3 GLN 28 -10.062 1.376 2.179 258 HB3 GLN 28 HB2 GLN 28 -10.003 2.514 0.841 259 HG2 GLN 28 HG3 GLN 28 -12.503 2.026 0.574 260 HG3 GLN 28 HG2 GLN 28 -12.394 1.325 2.187 261 HE21 GLN 28 HE22 GLN 28 -13.896 3.627 1.314 262 HE22 GLN 28 HE21 GLN 28 -13.336 4.964 2.250 263 H ASP 29 H ASP 29 -9.529 2.247 -1.346 264 HA ASP 29 HA ASP 29 -11.790 2.886 -2.807 265 HB2 ASP 29 HB3 ASP 29 -8.863 3.158 -3.332 266 HB3 ASP 29 HB2 ASP 29 -9.991 3.492 -4.641 267 H VAL 30 H VAL 30 -9.281 0.492 -3.601 268 HA VAL 30 HA VAL 30 -10.325 -0.177 -6.127 269 HB VAL 30 HB VAL 30 -8.660 -1.893 -4.278 270 HG11 VAL 30 HG11 VAL 30 -8.021 -3.085 -6.342 271 HG12 VAL 30 HG12 VAL 30 -9.213 -2.140 -7.232 272 HG13 VAL 30 HG13 VAL 30 -9.736 -3.252 -5.968 273 HG21 VAL 30 HG21 VAL 30 -6.775 -1.114 -5.645 274 HG22 VAL 30 HG22 VAL 30 -7.579 0.219 -4.815 275 HG23 VAL 30 HG23 VAL 30 -7.867 -0.052 -6.533 276 H VAL 31 H VAL 31 -10.923 -1.581 -2.920 277 HA VAL 31 HA VAL 31 -12.589 -3.687 -3.901 278 HB VAL 31 HB VAL 31 -12.635 -2.579 -1.090 279 HG11 VAL 31 HG11 VAL 31 -13.181 -5.330 -2.197 280 HG12 VAL 31 HG12 VAL 31 -14.384 -4.186 -1.601 281 HG13 VAL 31 HG13 VAL 31 -13.206 -4.888 -0.490 282 HG21 VAL 31 HG21 VAL 31 -10.309 -2.998 -1.734 283 HG22 VAL 31 HG22 VAL 31 -10.741 -4.641 -2.210 284 HG23 VAL 31 HG23 VAL 31 -10.867 -4.149 -0.520 285 H ASN 32 H ASN 32 -13.074 -0.357 -3.368 286 HA ASN 32 HA ASN 32 -15.999 -0.685 -3.380 287 HB2 ASN 32 HB3 ASN 32 -14.221 1.628 -2.621 288 HB3 ASN 32 HB2 ASN 32 -15.931 1.861 -2.964 289 HD21 ASN 32 HD22 ASN 32 -13.594 0.595 -0.763 290 HD22 ASN 32 HD21 ASN 32 -14.695 0.279 0.540 291 H SER 33 H SER 33 -13.541 -0.393 -5.498 292 HA SER 33 HA SER 33 -14.994 1.379 -7.333 293 HB2 SER 33 HB3 SER 33 -12.604 1.925 -6.819 294 HB3 SER 33 HB2 SER 33 -12.138 0.379 -7.526 295 HG SER 33 HG SER 33 -12.018 1.542 -9.285 296 H ASP 34 H ASP 34 -14.904 0.727 -9.638 297 HA ASP 34 HA ASP 34 -16.009 -1.853 -10.000 298 HB2 ASP 34 HB3 ASP 34 -16.639 0.023 -11.420 299 HB3 ASP 34 HB2 ASP 34 -14.982 0.193 -11.987 300 H THR 35 H THR 35 -12.814 -0.659 -10.018 301 HA THR 35 HA THR 35 -11.358 -2.309 -11.625 302 HB THR 35 HB THR 35 -10.584 -1.580 -8.795 303 HG1 THR 35 HG1 THR 35 -10.397 -0.059 -11.208 304 HG21 THR 35 HG21 THR 35 -8.927 -2.010 -11.287 305 HG22 THR 35 HG22 THR 35 -9.029 -3.109 -9.913 306 HG23 THR 35 HG23 THR 35 -8.307 -1.513 -9.711 307 H PHE 36 H PHE 36 -12.422 -3.040 -8.296 308 HA PHE 36 HA PHE 36 -12.324 -5.882 -8.963 309 HB2 PHE 36 HB3 PHE 36 -10.754 -4.543 -6.799 310 HB3 PHE 36 HB2 PHE 36 -11.390 -6.158 -6.506 311 HD1 PHE 36 HD2 PHE 36 -10.701 -8.031 -7.994 312 HD2 PHE 36 HD1 PHE 36 -8.853 -4.202 -8.164 313 HE1 PHE 36 HE2 PHE 36 -8.785 -9.015 -9.182 314 HE2 PHE 36 HE1 PHE 36 -6.933 -5.179 -9.354 315 HZ PHE 36 HZ PHE 36 -6.897 -7.587 -9.864 316 H LYS 37 H LYS 37 -14.555 -4.109 -8.715 317 HA LYS 37 HA LYS 37 -15.865 -4.208 -6.263 318 HB2 LYS 37 HB3 LYS 37 -17.920 -3.853 -7.492 319 HB3 LYS 37 HB2 LYS 37 -16.631 -2.902 -8.215 320 HG2 LYS 37 HG3 LYS 37 -16.405 -4.490 -10.016 321 HG3 LYS 37 HG2 LYS 37 -17.591 -5.558 -9.262 322 HD2 LYS 37 HD3 LYS 37 -19.276 -3.738 -9.475 323 HD3 LYS 37 HD2 LYS 37 -18.081 -2.792 -10.363 324 HE2 LYS 37 HE3 LYS 37 -19.123 -5.504 -11.180 325 HE3 LYS 37 HE2 LYS 37 -19.649 -3.964 -11.857 326 HZ1 LYS 37 HZ1 LYS 37 -17.400 -3.575 -12.647 327 HZ2 LYS 37 HZ2 LYS 37 -18.011 -5.032 -13.270 328 HZ3 LYS 37 HZ3 LYS 37 -16.892 -5.057 -12.002 329 H GLY 38 H GLY 38 -15.025 -6.831 -8.221 330 HA2 GLY 38 HA3 GLY 38 -17.265 -8.505 -7.417 331 HA3 GLY 38 HA2 GLY 38 -15.940 -8.973 -8.471 332 H GLN 39 H GLN 39 -14.057 -7.813 -6.327 333 HA GLN 39 HA GLN 39 -14.161 -10.189 -4.586 334 HB2 GLN 39 HB3 GLN 39 -11.746 -8.762 -5.701 335 HB3 GLN 39 HB2 GLN 39 -11.666 -9.990 -4.448 336 HG2 GLN 39 HG3 GLN 39 -12.754 -11.572 -6.046 337 HG3 GLN 39 HG2 GLN 39 -12.576 -10.335 -7.291 338 HE21 GLN 39 HE22 GLN 39 -10.239 -10.831 -4.753 339 HE22 GLN 39 HE21 GLN 39 -8.983 -11.457 -5.763 340 HA PRO 40 HA PRO 40 -14.305 -6.918 -1.458 341 HB2 PRO 40 HB2 PRO 40 -15.143 -9.067 0.321 342 HB3 PRO 40 HB3 PRO 40 -16.040 -7.631 -0.179 343 HG2 PRO 40 HG3 PRO 40 -16.709 -10.143 -0.967 344 HG3 PRO 40 HG2 PRO 40 -17.025 -8.704 -1.951 345 HD2 PRO 40 HD3 PRO 40 -14.825 -10.723 -2.197 346 HD3 PRO 40 HD2 PRO 40 -15.778 -9.932 -3.473 347 H ILE 41 H ILE 41 -12.892 -10.106 -1.430 348 HA ILE 41 HA ILE 41 -10.883 -9.222 0.542 349 HB ILE 41 HB ILE 41 -11.661 -12.109 0.128 350 HG12 ILE 41 HG13 ILE 41 -13.691 -10.971 0.865 351 HG13 ILE 41 HG12 ILE 41 -13.044 -11.956 2.171 352 HG21 ILE 41 HG21 ILE 41 -10.289 -10.681 2.401 353 HG22 ILE 41 HG22 ILE 41 -9.511 -11.692 1.184 354 HG23 ILE 41 HG23 ILE 41 -10.643 -12.408 2.331 355 HD11 ILE 41 HD11 ILE 41 -12.883 -8.968 1.886 356 HD12 ILE 41 HD12 ILE 41 -12.021 -9.891 3.115 357 HD13 ILE 41 HD13 ILE 41 -13.785 -9.892 3.088 358 H PHE 42 H PHE 42 -8.710 -9.973 0.145 359 HA PHE 42 HA PHE 42 -8.299 -10.937 -2.608 360 HB2 PHE 42 HB3 PHE 42 -6.706 -8.877 -1.079 361 HB3 PHE 42 HB2 PHE 42 -6.161 -9.610 -2.581 362 HD1 PHE 42 HD1 PHE 42 -7.930 -9.467 -4.546 363 HD2 PHE 42 HD2 PHE 42 -7.775 -6.863 -1.188 364 HE1 PHE 42 HE1 PHE 42 -9.125 -7.746 -5.833 365 HE2 PHE 42 HE2 PHE 42 -8.973 -5.137 -2.466 366 HZ PHE 42 HZ PHE 42 -9.650 -5.576 -4.792 367 H ASP 43 H ASP 43 -5.659 -11.342 -2.623 368 HA ASP 43 HA ASP 43 -5.120 -13.262 -0.458 369 HB2 ASP 43 HB3 ASP 43 -5.630 -14.457 -2.525 370 HB3 ASP 43 HB2 ASP 43 -4.469 -13.475 -3.412 371 H HIS 44 H HIS 44 -2.725 -13.662 -0.174 372 HA HIS 44 HA HIS 44 -1.377 -11.235 0.253 373 HB2 HIS 44 HB3 HIS 44 -0.422 -14.094 0.272 374 HB3 HIS 44 HB2 HIS 44 0.644 -12.743 0.647 375 HD1 HIS 44 HD1 HIS 44 -0.138 -14.986 2.718 376 HD2 HIS 44 HD2 HIS 44 -1.907 -11.229 2.425 377 HE1 HIS 44 HE1 HIS 44 -1.109 -14.509 4.988 378 HE2 HIS 44 HE2 HIS 44 -2.372 -12.340 4.719 379 H ALA 45 H ALA 45 -1.438 -13.333 -2.538 380 HA ALA 45 HA ALA 45 0.838 -12.320 -3.861 381 HB1 ALA 45 HB1 ALA 45 -0.377 -14.293 -4.645 382 HB2 ALA 45 HB2 ALA 45 -0.227 -13.084 -5.921 383 HB3 ALA 45 HB3 ALA 45 -1.758 -13.279 -5.066 384 H HIS 46 H HIS 46 -2.403 -11.082 -3.436 385 HA HIS 46 HA HIS 46 -1.997 -8.876 -5.260 386 HB2 HIS 46 HB3 HIS 46 -4.236 -9.561 -3.358 387 HB3 HIS 46 HB2 HIS 46 -4.197 -8.057 -4.269 388 HD1 HIS 46 HD1 HIS 46 -4.473 -8.239 -6.880 389 HD2 HIS 46 HD2 HIS 46 -5.005 -11.806 -4.785 390 HE1 HIS 46 HE1 HIS 46 -5.630 -9.809 -8.472 391 HE2 HIS 46 HE2 HIS 46 -5.832 -11.996 -7.232 392 H THR 47 H THR 47 -1.351 -9.588 -1.971 393 HA THR 47 HA THR 47 -1.191 -6.996 -0.909 394 HB THR 47 HB THR 47 0.526 -9.420 -0.320 395 HG1 THR 47 HG1 THR 47 -1.701 -8.291 1.064 396 HG21 THR 47 HG21 THR 47 0.221 -6.957 1.399 397 HG22 THR 47 HG22 THR 47 1.575 -7.204 0.293 398 HG23 THR 47 HG23 THR 47 1.321 -8.321 1.638 399 H ARG 48 H ARG 48 1.422 -9.010 -2.289 400 HA ARG 48 HA ARG 48 3.311 -6.962 -2.512 401 HB2 ARG 48 HB3 ARG 48 3.872 -9.343 -2.788 402 HB3 ARG 48 HB2 ARG 48 2.991 -9.373 -4.310 403 HG2 ARG 48 HG3 ARG 48 4.549 -7.774 -5.269 404 HG3 ARG 48 HG2 ARG 48 5.417 -7.682 -3.736 405 HD2 ARG 48 HD3 ARG 48 5.971 -10.061 -3.916 406 HD3 ARG 48 HD2 ARG 48 5.106 -10.143 -5.451 407 HE ARG 48 HE ARG 48 6.777 -8.546 -6.327 408 HH11 ARG 48 HH11 ARG 48 7.524 -10.407 -3.463 409 HH12 ARG 48 HH12 ARG 48 9.239 -10.332 -3.689 410 HH21 ARG 48 HH22 ARG 48 9.057 -8.420 -6.633 411 HH22 ARG 48 HH21 ARG 48 10.112 -9.204 -5.492 412 H GLU 49 H GLU 49 0.794 -8.012 -4.734 413 HA GLU 49 HA GLU 49 1.348 -6.464 -6.956 414 HB2 GLU 49 HB3 GLU 49 -0.408 -8.149 -6.894 415 HB3 GLU 49 HB2 GLU 49 -1.323 -7.192 -5.743 416 HG2 GLU 49 HG3 GLU 49 -1.598 -5.444 -7.454 417 HG3 GLU 49 HG2 GLU 49 -0.743 -6.473 -8.606 418 H PHE 50 H PHE 50 -0.745 -5.589 -4.203 419 HA PHE 50 HA PHE 50 -1.154 -2.920 -5.064 420 HB2 PHE 50 HB3 PHE 50 -1.708 -4.449 -2.558 421 HB3 PHE 50 HB2 PHE 50 -1.827 -2.692 -2.524 422 HD1 PHE 50 HD1 PHE 50 -2.748 -5.108 -5.210 423 HD2 PHE 50 HD2 PHE 50 -4.070 -2.211 -2.390 424 HE1 PHE 50 HE1 PHE 50 -5.011 -5.216 -6.165 425 HE2 PHE 50 HE2 PHE 50 -6.336 -2.315 -3.339 426 HZ PHE 50 HZ PHE 50 -6.803 -3.812 -5.232 427 H ILE 51 H ILE 51 1.038 -4.362 -2.677 428 HA ILE 51 HA ILE 51 2.017 -1.941 -1.648 429 HB ILE 51 HB ILE 51 3.336 -4.651 -1.721 430 HG12 ILE 51 HG13 ILE 51 1.250 -4.643 -0.475 431 HG13 ILE 51 HG12 ILE 51 2.598 -4.735 0.652 432 HG21 ILE 51 HG21 ILE 51 5.022 -2.920 -1.430 433 HG22 ILE 51 HG22 ILE 51 4.784 -3.812 0.072 434 HG23 ILE 51 HG23 ILE 51 4.082 -2.205 -0.120 435 HD11 ILE 51 HD11 ILE 51 0.879 -3.231 1.460 436 HD12 ILE 51 HD12 ILE 51 1.010 -2.265 -0.010 437 HD13 ILE 51 HD13 ILE 51 2.364 -2.346 1.115 438 H GLN 52 H GLN 52 3.312 -4.067 -4.195 439 HA GLN 52 HA GLN 52 5.627 -2.527 -4.705 440 HB2 GLN 52 HB3 GLN 52 5.317 -4.914 -5.363 441 HB3 GLN 52 HB2 GLN 52 4.189 -4.390 -6.604 442 HG2 GLN 52 HG3 GLN 52 6.360 -4.832 -7.561 443 HG3 GLN 52 HG2 GLN 52 5.975 -3.116 -7.684 444 HE21 GLN 52 HE22 GLN 52 8.139 -2.566 -7.890 445 HE22 GLN 52 HE21 GLN 52 9.229 -2.608 -6.551 446 H SER 53 H SER 53 2.356 -2.429 -6.023 447 HA SER 53 HA SER 53 2.874 -0.684 -8.167 448 HB2 SER 53 HB3 SER 53 0.344 -1.084 -6.556 449 HB3 SER 53 HB2 SER 53 0.434 -0.162 -8.057 450 HG SER 53 HG SER 53 0.963 -2.932 -7.689 451 H PHE 54 H PHE 54 2.226 -0.076 -4.748 452 HA PHE 54 HA PHE 54 1.987 2.753 -5.070 453 HB2 PHE 54 HB3 PHE 54 1.174 1.314 -3.083 454 HB3 PHE 54 HB2 PHE 54 2.836 1.412 -2.509 455 HD1 PHE 54 HD2 PHE 54 3.813 3.642 -1.956 456 HD2 PHE 54 HD1 PHE 54 -0.312 3.128 -2.859 457 HE1 PHE 54 HE2 PHE 54 3.322 5.828 -0.939 458 HE2 PHE 54 HE1 PHE 54 -0.811 5.314 -1.846 459 HZ PHE 54 HZ PHE 54 1.008 6.666 -0.885 460 H ILE 55 H ILE 55 4.621 0.527 -4.383 461 HA ILE 55 HA ILE 55 6.614 2.494 -3.922 462 HB ILE 55 HB ILE 55 6.936 -0.332 -4.963 463 HG12 ILE 55 HG13 ILE 55 7.157 0.755 -2.145 464 HG13 ILE 55 HG12 ILE 55 5.805 -0.187 -2.764 465 HG21 ILE 55 HG21 ILE 55 8.966 1.530 -3.728 466 HG22 ILE 55 HG22 ILE 55 8.904 1.031 -5.418 467 HG23 ILE 55 HG23 ILE 55 9.245 -0.157 -4.161 468 HD11 ILE 55 HD11 ILE 55 8.646 -1.143 -2.489 469 HD12 ILE 55 HD12 ILE 55 7.294 -2.089 -3.113 470 HD13 ILE 55 HD13 ILE 55 7.296 -1.558 -1.431 471 H GLU 56 H GLU 56 5.391 0.887 -6.817 472 HA GLU 56 HA GLU 56 7.289 1.996 -8.611 473 HB2 GLU 56 HB3 GLU 56 5.884 0.005 -9.113 474 HB3 GLU 56 HB2 GLU 56 4.476 1.055 -9.202 475 HG2 GLU 56 HG3 GLU 56 5.477 2.249 -11.076 476 HG3 GLU 56 HG2 GLU 56 6.898 1.211 -10.984 477 H ARG 57 H ARG 57 4.437 3.224 -7.094 478 HA ARG 57 HA ARG 57 3.844 5.321 -8.891 479 HB2 ARG 57 HB3 ARG 57 2.361 4.480 -7.026 480 HB3 ARG 57 HB2 ARG 57 3.387 5.361 -5.904 481 HG2 ARG 57 HG3 ARG 57 2.839 7.453 -7.063 482 HG3 ARG 57 HG2 ARG 57 1.785 6.557 -8.157 483 HD2 ARG 57 HD3 ARG 57 1.464 6.845 -5.172 484 HD3 ARG 57 HD2 ARG 57 0.472 7.603 -6.415 485 HE ARG 57 HE ARG 57 0.302 4.892 -5.461 486 HH11 ARG 57 HH11 ARG 57 -0.443 7.047 -8.116 487 HH12 ARG 57 HH12 ARG 57 -1.761 6.079 -8.698 488 HH21 ARG 57 HH22 ARG 57 -1.462 3.631 -6.224 489 HH22 ARG 57 HH21 ARG 57 -2.335 4.152 -7.629 490 H ASP 58 H ASP 58 6.459 4.839 -6.777 491 HA ASP 58 HA ASP 58 7.329 7.441 -6.246 492 HB2 ASP 58 HB3 ASP 58 8.725 5.931 -5.241 493 HB3 ASP 58 HB2 ASP 58 8.617 4.784 -6.570 494 H ASP 59 H ASP 59 7.741 5.411 -9.113 495 HA ASP 59 HA ASP 59 9.383 7.247 -10.519 496 HB2 ASP 59 HB3 ASP 59 9.048 4.701 -10.911 497 HB3 ASP 59 HB2 ASP 59 7.655 5.188 -11.873 498 H THR 60 H THR 60 5.988 6.961 -10.027 499 HA THR 60 HA THR 60 5.078 8.486 -12.216 500 HB THR 60 HB THR 60 3.801 8.375 -9.481 501 HG1 THR 60 HG1 THR 60 3.628 6.525 -11.660 502 HG21 THR 60 HG21 THR 60 2.823 10.005 -11.018 503 HG22 THR 60 HG22 THR 60 1.714 8.662 -10.741 504 HG23 THR 60 HG23 THR 60 2.634 8.750 -12.242 505 H GLU 61 H GLU 61 5.939 9.386 -8.893 506 HA GLU 61 HA GLU 61 5.565 12.190 -9.368 507 HB2 GLU 61 HB3 GLU 61 7.037 10.794 -7.124 508 HB3 GLU 61 HB2 GLU 61 6.621 12.501 -7.162 509 HG2 GLU 61 HG3 GLU 61 4.206 11.764 -7.339 510 HG3 GLU 61 HG2 GLU 61 4.779 10.146 -6.936 511 H LEU 62 H LEU 62 8.241 9.943 -9.427 512 HA LEU 62 HA LEU 62 10.333 11.806 -9.757 513 HB2 LEU 62 HB3 LEU 62 10.655 9.431 -9.168 514 HB3 LEU 62 HB2 LEU 62 10.118 8.966 -10.770 515 HG LEU 62 HG LEU 62 12.074 10.148 -11.736 516 HD11 LEU 62 HD11 LEU 62 12.439 11.772 -9.959 517 HD12 LEU 62 HD12 LEU 62 13.898 10.826 -10.255 518 HD13 LEU 62 HD13 LEU 62 12.889 10.475 -8.852 519 HD21 LEU 62 HD21 LEU 62 12.166 7.755 -11.323 520 HD22 LEU 62 HD22 LEU 62 12.701 8.045 -9.666 521 HD23 LEU 62 HD23 LEU 62 13.739 8.493 -11.020 522 H ASP 63 H ASP 63 8.017 10.392 -11.967 523 HA ASP 63 HA ASP 63 9.310 11.074 -14.379 524 HB2 ASP 63 HB3 ASP 63 7.374 9.477 -14.159 525 HB3 ASP 63 HB2 ASP 63 6.321 10.879 -13.972 526 H GLU 64 H GLU 64 7.089 12.819 -12.288 527 HA GLU 64 HA GLU 64 6.719 15.079 -13.917 528 HB2 GLU 64 HB3 GLU 64 6.792 14.912 -10.898 529 HB3 GLU 64 HB2 GLU 64 6.173 16.271 -11.824 530 HG2 GLU 64 HG3 GLU 64 4.492 14.724 -12.824 531 HG3 GLU 64 HG2 GLU 64 5.051 13.487 -11.697 532 H LEU 65 H LEU 65 9.224 14.251 -11.564 533 HA LEU 65 HA LEU 65 10.570 16.746 -11.690 534 HB2 LEU 65 HB3 LEU 65 11.566 14.015 -10.880 535 HB3 LEU 65 HB2 LEU 65 12.472 15.503 -10.674 536 HG LEU 65 HG LEU 65 9.853 14.811 -9.343 537 HD11 LEU 65 HD11 LEU 65 11.174 14.822 -7.296 538 HD12 LEU 65 HD12 LEU 65 12.634 15.135 -8.235 539 HD13 LEU 65 HD13 LEU 65 11.766 13.613 -8.435 540 HD21 LEU 65 HD21 LEU 65 9.971 17.196 -9.842 541 HD22 LEU 65 HD22 LEU 65 11.561 17.284 -9.086 542 HD23 LEU 65 HD23 LEU 65 10.141 16.907 -8.111 543 H LYS 66 H LYS 66 10.894 13.719 -13.471 544 HA LYS 66 HA LYS 66 13.169 14.468 -14.987 545 HB2 LYS 66 HB3 LYS 66 10.936 12.534 -15.632 546 HB3 LYS 66 HB2 LYS 66 12.406 12.696 -16.577 547 HG2 LYS 66 HG3 LYS 66 13.728 11.969 -14.663 548 HG3 LYS 66 HG2 LYS 66 12.259 11.833 -13.694 549 HD2 LYS 66 HD3 LYS 66 12.849 10.277 -16.215 550 HD3 LYS 66 HD2 LYS 66 12.978 9.650 -14.570 551 HE2 LYS 66 HE3 LYS 66 10.619 9.931 -14.218 552 HE3 LYS 66 HE2 LYS 66 10.442 10.758 -15.763 553 HZ1 LYS 66 HZ1 LYS 66 11.041 8.709 -16.892 554 HZ2 LYS 66 HZ2 LYS 66 9.694 8.474 -15.891 555 HZ3 LYS 66 HZ3 LYS 66 11.216 7.908 -15.403 556 H LYS 67 H LYS 67 9.724 14.995 -15.380 557 HA LYS 67 HA LYS 67 9.952 15.919 -18.092 558 HB2 LYS 67 HB3 LYS 67 7.933 14.784 -16.890 559 HB3 LYS 67 HB2 LYS 67 7.567 16.413 -16.343 560 HG2 LYS 67 HG3 LYS 67 7.455 17.163 -18.670 561 HG3 LYS 67 HG2 LYS 67 7.804 15.518 -19.207 562 HD2 LYS 67 HD3 LYS 67 5.757 14.773 -17.977 563 HD3 LYS 67 HD2 LYS 67 5.383 16.472 -17.684 564 HE2 LYS 67 HE3 LYS 67 5.571 15.059 -20.338 565 HE3 LYS 67 HE2 LYS 67 4.133 15.753 -19.592 566 HZ1 LYS 67 HZ1 LYS 67 4.804 17.301 -21.183 567 HZ2 LYS 67 HZ2 LYS 67 6.448 17.165 -20.778 568 HZ3 LYS 67 HZ3 LYS 67 5.373 17.946 -19.721 569 H LYS 68 H LYS 68 9.603 17.392 -14.906 570 HA LYS 68 HA LYS 68 9.507 20.076 -15.936 571 HB2 LYS 68 HB3 LYS 68 9.938 19.020 -13.133 572 HB3 LYS 68 HB2 LYS 68 9.764 20.725 -13.535 573 HG2 LYS 68 HG3 LYS 68 7.521 20.354 -14.340 574 HG3 LYS 68 HG2 LYS 68 7.688 18.616 -14.094 575 HD2 LYS 68 HD3 LYS 68 7.951 19.004 -11.674 576 HD3 LYS 68 HD2 LYS 68 7.727 20.735 -11.942 577 HE2 LYS 68 HE3 LYS 68 5.493 20.312 -12.839 578 HE3 LYS 68 HE2 LYS 68 5.717 18.581 -12.603 579 HZ1 LYS 68 HZ1 LYS 68 5.649 20.638 -10.455 580 HZ2 LYS 68 HZ2 LYS 68 5.885 18.973 -10.214 581 HZ3 LYS 68 HZ3 LYS 68 4.410 19.538 -10.825 582 H ARG 69 H ARG 69 11.902 17.826 -15.639 583 HA ARG 69 HA ARG 69 14.139 19.577 -15.201 584 HB2 ARG 69 HB3 ARG 69 14.284 17.209 -14.653 585 HB3 ARG 69 HB2 ARG 69 13.894 16.766 -16.300 586 HG2 ARG 69 HG3 ARG 69 16.041 17.677 -17.043 587 HG3 ARG 69 HG2 ARG 69 16.427 18.099 -15.367 588 HD2 ARG 69 HD3 ARG 69 16.286 15.779 -14.708 589 HD3 ARG 69 HD2 ARG 69 15.760 15.318 -16.322 590 HE ARG 69 HE ARG 69 18.153 16.391 -16.840 591 HH11 ARG 69 HH11 ARG 69 17.155 14.202 -14.307 592 HH12 ARG 69 HH12 ARG 69 18.635 13.296 -14.299 593 HH21 ARG 69 HH22 ARG 69 20.125 15.196 -16.872 594 HH22 ARG 69 HH21 ARG 69 20.334 13.877 -15.758 595 H ARG 70 H ARG 70 13.222 21.157 -16.741 596 HA ARG 70 HA ARG 70 13.050 20.545 -19.531 597 HB2 ARG 70 HB3 ARG 70 13.220 23.284 -18.281 598 HB3 ARG 70 HB2 ARG 70 12.516 22.861 -19.833 599 HG2 ARG 70 HG3 ARG 70 10.697 21.715 -18.741 600 HG3 ARG 70 HG2 ARG 70 11.431 22.000 -17.160 601 HD2 ARG 70 HD3 ARG 70 11.259 24.430 -17.561 602 HD3 ARG 70 HD2 ARG 70 10.440 24.098 -19.085 603 HE ARG 70 HE ARG 70 9.323 23.227 -16.496 604 HH11 ARG 70 HH11 ARG 70 9.017 24.818 -19.603 605 HH12 ARG 70 HH12 ARG 70 7.347 25.234 -19.367 606 HH21 ARG 70 HH22 ARG 70 7.117 23.744 -16.200 607 HH22 ARG 70 HH21 ARG 70 6.263 24.625 -17.433 608 H SER 71 H SER 71 15.321 22.263 -17.477 609 HA SER 71 HA SER 71 17.080 22.846 -19.704 610 HB2 SER 71 HB3 SER 71 18.462 23.883 -17.789 611 HB3 SER 71 HB2 SER 71 16.903 24.626 -18.156 612 HG SER 71 HG SER 71 17.366 24.172 -15.857 613 H ASN 72 H ASN 72 19.534 22.507 -19.082 614 HA ASN 72 HA ASN 72 19.852 19.639 -18.668 615 HB2 ASN 72 HB3 ASN 72 20.980 20.919 -20.544 616 HB3 ASN 72 HB2 ASN 72 21.984 21.684 -19.321 617 HD21 ASN 72 HD22 ASN 72 20.930 18.333 -19.224 618 HD22 ASN 72 HD21 ASN 72 22.498 17.641 -19.458 619 H ARG 73 H ARG 73 19.206 21.682 -16.554 620 HA ARG 73 HA ARG 73 21.341 20.944 -14.676 621 HB2 ARG 73 HB3 ARG 73 19.791 23.525 -14.866 622 HB3 ARG 73 HB2 ARG 73 20.691 23.063 -13.430 623 HG2 ARG 73 HG3 ARG 73 22.757 23.122 -14.617 624 HG3 ARG 73 HG2 ARG 73 21.924 23.326 -16.160 625 HD2 ARG 73 HD3 ARG 73 22.897 25.427 -15.258 626 HD3 ARG 73 HD2 ARG 73 21.158 25.504 -15.530 627 HE ARG 73 HE ARG 73 21.369 24.796 -12.912 628 HH11 ARG 73 HH11 ARG 73 22.764 27.373 -14.824 629 HH12 ARG 73 HH12 ARG 73 22.753 28.523 -13.520 630 HH21 ARG 73 HH22 ARG 73 21.322 26.312 -11.194 631 HH22 ARG 73 HH21 ARG 73 21.917 27.920 -11.460 632 HA PRO 74 HA PRO 74 17.294 19.100 -13.256 633 HB2 PRO 74 HB2 PRO 74 18.508 16.850 -12.278 634 HB3 PRO 74 HB3 PRO 74 17.898 16.996 -13.931 635 HG2 PRO 74 HG3 PRO 74 20.693 17.359 -12.906 636 HG3 PRO 74 HG2 PRO 74 20.135 16.482 -14.345 637 HD2 PRO 74 HD3 PRO 74 21.164 18.932 -14.559 638 HD3 PRO 74 HD2 PRO 74 19.774 18.436 -15.551 639 HA PRO 75 HA PRO 75 18.099 20.352 -9.039 640 HB2 PRO 75 HB2 PRO 75 15.629 18.943 -8.354 641 HB3 PRO 75 HB3 PRO 75 15.986 20.673 -8.268 642 HG2 PRO 75 HG3 PRO 75 14.273 19.646 -10.086 643 HG3 PRO 75 HG2 PRO 75 15.283 21.063 -10.427 644 HD2 PRO 75 HD3 PRO 75 15.676 18.209 -11.248 645 HD3 PRO 75 HD2 PRO 75 15.927 19.697 -12.187 646 H SER 76 H SER 76 19.865 18.777 -8.911 647 HA SER 76 HA SER 76 19.586 16.068 -8.412 648 HB2 SER 76 HB3 SER 76 21.746 17.236 -8.858 649 HB3 SER 76 HB2 SER 76 21.693 17.895 -7.222 650 HG SER 76 HG SER 76 21.973 15.194 -8.038 651 H ASN 77 H ASN 77 19.502 18.774 -6.131 652 HA ASN 77 HA ASN 77 19.440 17.195 -3.788 653 HB2 ASN 77 HB3 ASN 77 18.799 19.244 -2.629 654 HB3 ASN 77 HB2 ASN 77 20.096 19.566 -3.773 655 HD21 ASN 77 HD22 ASN 77 18.143 21.377 -2.580 656 HD22 ASN 77 HD21 ASN 77 17.312 22.115 -3.911 657 H ARG 78 H ARG 78 16.967 18.045 -6.060 658 HA ARG 78 HA ARG 78 14.869 17.299 -4.158 659 HB2 ARG 78 HB3 ARG 78 14.541 18.369 -6.963 660 HB3 ARG 78 HB2 ARG 78 13.270 18.150 -5.770 661 HG2 ARG 78 HG3 ARG 78 14.602 19.792 -4.328 662 HG3 ARG 78 HG2 ARG 78 15.471 20.178 -5.813 663 HD2 ARG 78 HD3 ARG 78 12.527 20.486 -5.262 664 HD3 ARG 78 HD2 ARG 78 13.701 21.759 -5.581 665 HE ARG 78 HE ARG 78 13.107 19.777 -7.662 666 HH11 ARG 78 HH11 ARG 78 13.125 23.087 -6.534 667 HH12 ARG 78 HH12 ARG 78 12.594 23.745 -8.054 668 HH21 ARG 78 HH22 ARG 78 12.409 20.639 -9.683 669 HH22 ARG 78 HH21 ARG 78 12.177 22.359 -9.834 670 H GLN 79 H GLN 79 16.126 16.396 -7.350 671 HA GLN 79 HA GLN 79 14.210 14.335 -7.769 672 HB2 GLN 79 HB3 GLN 79 15.417 15.499 -9.605 673 HB3 GLN 79 HB2 GLN 79 16.898 14.697 -9.104 674 HG2 GLN 79 HG3 GLN 79 16.011 12.555 -9.667 675 HG3 GLN 79 HG2 GLN 79 14.415 13.239 -9.966 676 HE21 GLN 79 HE22 GLN 79 16.161 11.684 -11.701 677 HE22 GLN 79 HE21 GLN 79 16.397 12.645 -13.121 678 H VAL 80 H VAL 80 17.491 14.408 -6.471 679 HA VAL 80 HA VAL 80 17.669 11.556 -6.196 680 HB VAL 80 HB VAL 80 19.256 13.749 -4.840 681 HG11 VAL 80 HG11 VAL 80 19.319 11.732 -3.484 682 HG12 VAL 80 HG12 VAL 80 20.876 11.991 -4.271 683 HG13 VAL 80 HG13 VAL 80 19.764 10.774 -4.897 684 HG21 VAL 80 HG21 VAL 80 19.904 11.957 -7.180 685 HG22 VAL 80 HG22 VAL 80 21.013 13.110 -6.437 686 HG23 VAL 80 HG23 VAL 80 19.558 13.685 -7.251 687 H LEU 81 H LEU 81 16.441 14.179 -4.266 688 HA LEU 81 HA LEU 81 16.131 12.753 -1.832 689 HB2 LEU 81 HB3 LEU 81 16.094 15.213 -1.986 690 HB3 LEU 81 HB2 LEU 81 14.590 15.130 -2.882 691 HG LEU 81 HG LEU 81 13.504 14.112 -0.891 692 HD11 LEU 81 HD11 LEU 81 14.648 14.222 1.266 693 HD12 LEU 81 HD12 LEU 81 16.125 14.749 0.458 694 HD13 LEU 81 HD13 LEU 81 15.479 13.137 0.150 695 HD21 LEU 81 HD21 LEU 81 13.417 16.177 0.420 696 HD22 LEU 81 HD22 LEU 81 13.329 16.501 -1.311 697 HD23 LEU 81 HD23 LEU 81 14.836 16.778 -0.437 698 H LEU 82 H LEU 82 14.155 13.161 -4.704 699 HA LEU 82 HA LEU 82 11.810 11.912 -3.749 700 HB2 LEU 82 HB3 LEU 82 12.198 13.275 -5.906 701 HB3 LEU 82 HB2 LEU 82 12.800 11.784 -6.594 702 HG LEU 82 HG LEU 82 10.431 12.331 -7.176 703 HD11 LEU 82 HD11 LEU 82 11.233 10.046 -7.350 704 HD12 LEU 82 HD12 LEU 82 9.551 10.086 -6.825 705 HD13 LEU 82 HD13 LEU 82 10.831 9.762 -5.656 706 HD21 LEU 82 HD21 LEU 82 9.952 11.750 -4.260 707 HD22 LEU 82 HD22 LEU 82 8.701 11.932 -5.490 708 HD23 LEU 82 HD23 LEU 82 9.733 13.300 -5.072 709 H GLN 83 H GLN 83 14.670 10.701 -5.441 710 HA GLN 83 HA GLN 83 13.898 8.023 -5.691 711 HB2 GLN 83 HB3 GLN 83 15.832 9.076 -6.862 712 HB3 GLN 83 HB2 GLN 83 16.713 9.073 -5.340 713 HG2 GLN 83 HG3 GLN 83 16.278 6.548 -5.319 714 HG3 GLN 83 HG2 GLN 83 15.868 6.746 -7.019 715 HE21 GLN 83 HE22 GLN 83 18.034 5.287 -5.702 716 HE22 GLN 83 HE21 GLN 83 19.504 5.892 -6.408 717 H GLN 84 H GLN 84 14.855 9.795 -2.900 718 HA GLN 84 HA GLN 84 16.000 7.742 -1.374 719 HB2 GLN 84 HB3 GLN 84 14.417 10.150 -0.475 720 HB3 GLN 84 HB2 GLN 84 15.276 9.075 0.618 721 HG2 GLN 84 HG3 GLN 84 16.430 10.890 -1.479 722 HG3 GLN 84 HG2 GLN 84 16.660 10.958 0.268 723 HE21 GLN 84 HE22 GLN 84 17.624 9.488 -2.691 724 HE22 GLN 84 HE21 GLN 84 18.951 8.569 -2.059 725 H ARG 85 H ARG 85 12.611 8.594 -1.957 726 HA ARG 85 HA ARG 85 11.502 6.733 -0.123 727 HB2 ARG 85 HB3 ARG 85 10.443 8.038 -2.613 728 HB3 ARG 85 HB2 ARG 85 9.524 6.778 -1.803 729 HG2 ARG 85 HG3 ARG 85 10.004 8.356 0.292 730 HG3 ARG 85 HG2 ARG 85 10.053 9.566 -0.992 731 HD2 ARG 85 HD3 ARG 85 7.808 7.612 -0.492 732 HD3 ARG 85 HD2 ARG 85 7.799 9.317 -0.051 733 HE ARG 85 HE ARG 85 7.692 9.872 -2.370 734 HH11 ARG 85 HH11 ARG 85 7.417 6.422 -1.733 735 HH12 ARG 85 HH12 ARG 85 6.595 6.105 -3.232 736 HH21 ARG 85 HH22 ARG 85 6.549 9.450 -4.310 737 HH22 ARG 85 HH21 ARG 85 6.117 7.811 -4.692 738 H ARG 86 H ARG 86 12.236 6.561 -3.557 739 HA ARG 86 HA ARG 86 11.352 4.051 -4.209 740 HB2 ARG 86 HB3 ARG 86 12.348 5.800 -5.709 741 HB3 ARG 86 HB2 ARG 86 13.933 5.304 -5.142 742 HG2 ARG 86 HG3 ARG 86 13.683 3.144 -6.138 743 HG3 ARG 86 HG2 ARG 86 11.997 3.486 -6.556 744 HD2 ARG 86 HD3 ARG 86 12.759 5.360 -7.964 745 HD3 ARG 86 HD2 ARG 86 14.428 4.936 -7.596 746 HE ARG 86 HE ARG 86 13.971 2.782 -8.746 747 HH11 ARG 86 HH11 ARG 86 11.822 5.486 -9.335 748 HH12 ARG 86 HH12 ARG 86 11.542 5.074 -11.007 749 HH21 ARG 86 HH22 ARG 86 13.598 2.210 -10.931 750 HH22 ARG 86 HH21 ARG 86 12.535 3.190 -11.907 751 H ASP 87 H ASP 87 14.626 4.883 -3.080 752 HA ASP 87 HA ASP 87 15.463 2.169 -2.939 753 HB2 ASP 87 HB3 ASP 87 16.644 4.766 -2.002 754 HB3 ASP 87 HB2 ASP 87 17.385 3.233 -1.556 755 H GLN 88 H GLN 88 14.164 4.429 -0.552 756 HA GLN 88 HA GLN 88 14.832 2.800 1.690 757 HB2 GLN 88 HB3 GLN 88 14.549 5.151 2.040 758 HB3 GLN 88 HB2 GLN 88 12.916 5.110 1.391 759 HG2 GLN 88 HG3 GLN 88 13.370 3.341 3.685 760 HG3 GLN 88 HG2 GLN 88 13.540 5.063 4.026 761 HE21 GLN 88 HE22 GLN 88 11.497 3.011 4.779 762 HE22 GLN 88 HE21 GLN 88 9.984 3.722 4.311 763 H GLU 89 H GLU 89 11.831 3.251 -0.173 764 HA GLU 89 HA GLU 89 10.348 1.493 1.500 765 HB2 GLU 89 HB3 GLU 89 9.797 2.590 -1.252 766 HB3 GLU 89 HB2 GLU 89 8.673 1.540 -0.396 767 HG2 GLU 89 HG3 GLU 89 8.646 3.175 1.469 768 HG3 GLU 89 HG2 GLU 89 9.651 4.244 0.496 769 H LEU 90 H LEU 90 12.386 1.013 -1.296 770 HA LEU 90 HA LEU 90 11.658 -1.722 -1.683 771 HB2 LEU 90 HB3 LEU 90 14.127 -0.158 -2.420 772 HB3 LEU 90 HB2 LEU 90 13.935 -1.859 -2.802 773 HG LEU 90 HG LEU 90 12.109 0.343 -3.773 774 HD11 LEU 90 HD11 LEU 90 14.272 -1.182 -5.215 775 HD12 LEU 90 HD12 LEU 90 14.315 0.525 -4.773 776 HD13 LEU 90 HD13 LEU 90 13.140 -0.051 -5.956 777 HD21 LEU 90 HD21 LEU 90 11.210 -1.389 -5.254 778 HD22 LEU 90 HD22 LEU 90 10.973 -1.800 -3.556 779 HD23 LEU 90 HD23 LEU 90 12.252 -2.585 -4.483 780 H LYS 91 H LYS 91 14.012 -0.029 0.299 781 HA LYS 91 HA LYS 91 15.335 -2.232 1.413 782 HB2 LYS 91 HB3 LYS 91 16.256 -0.089 1.804 783 HB3 LYS 91 HB2 LYS 91 14.741 0.540 2.430 784 HG2 LYS 91 HG3 LYS 91 14.982 -0.849 4.423 785 HG3 LYS 91 HG2 LYS 91 16.502 -1.487 3.791 786 HD2 LYS 91 HD3 LYS 91 17.541 0.659 3.921 787 HD3 LYS 91 HD2 LYS 91 16.002 1.445 4.282 788 HE2 LYS 91 HE3 LYS 91 17.298 -0.620 6.056 789 HE3 LYS 91 HE2 LYS 91 17.509 1.119 6.257 790 HZ1 LYS 91 HZ1 LYS 91 14.858 -0.228 6.284 791 HZ2 LYS 91 HZ2 LYS 91 15.201 1.378 6.697 792 HZ3 LYS 91 HZ3 LYS 91 15.753 0.117 7.684 793 H GLU 92 H GLU 92 12.477 -0.458 2.579 794 HA GLU 92 HA GLU 92 11.946 -2.209 4.739 795 HB2 GLU 92 HB3 GLU 92 10.578 0.045 3.425 796 HB3 GLU 92 HB2 GLU 92 9.513 -1.110 4.214 797 HG2 GLU 92 HG3 GLU 92 10.117 0.754 5.676 798 HG3 GLU 92 HG2 GLU 92 10.655 -0.796 6.313 799 H PHE 93 H PHE 93 11.058 -2.258 1.364 800 HA PHE 93 HA PHE 93 9.039 -4.201 1.430 801 HB2 PHE 93 HB3 PHE 93 9.613 -2.861 -0.563 802 HB3 PHE 93 HB2 PHE 93 11.144 -3.714 -0.694 803 HD1 PHE 93 HD2 PHE 93 7.475 -4.151 -0.865 804 HD2 PHE 93 HD1 PHE 93 11.297 -5.742 -1.850 805 HE1 PHE 93 HE2 PHE 93 6.402 -5.826 -2.313 806 HE2 PHE 93 HE1 PHE 93 10.231 -7.417 -3.300 807 HZ PHE 93 HZ PHE 93 7.780 -7.461 -3.533 808 H LYS 94 H LYS 94 12.544 -4.460 1.362 809 HA LYS 94 HA LYS 94 12.581 -7.324 1.220 810 HB2 LYS 94 HB3 LYS 94 14.427 -6.043 0.308 811 HB3 LYS 94 HB2 LYS 94 14.732 -5.301 1.872 812 HG2 LYS 94 HG3 LYS 94 15.269 -7.566 2.762 813 HG3 LYS 94 HG2 LYS 94 15.132 -8.184 1.115 814 HD2 LYS 94 HD3 LYS 94 16.925 -6.722 0.388 815 HD3 LYS 94 HD2 LYS 94 17.026 -6.009 1.998 816 HE2 LYS 94 HE3 LYS 94 17.558 -8.898 1.315 817 HE3 LYS 94 HE2 LYS 94 18.788 -7.672 1.617 818 HZ1 LYS 94 HZ1 LYS 94 17.851 -7.414 3.872 819 HZ2 LYS 94 HZ2 LYS 94 18.461 -8.970 3.584 820 HZ3 LYS 94 HZ3 LYS 94 16.788 -8.697 3.565 821 H ALA 95 H ALA 95 12.726 -4.914 3.768 822 HA ALA 95 HA ALA 95 13.585 -6.812 5.766 823 HB1 ALA 95 HB1 ALA 95 12.679 -3.956 6.083 824 HB2 ALA 95 HB2 ALA 95 14.342 -4.488 5.836 825 HB3 ALA 95 HB3 ALA 95 13.482 -4.938 7.308 826 H GLY 96 H GLY 96 10.580 -5.544 4.612 827 HA2 GLY 96 HA3 GLY 96 8.604 -6.919 5.168 828 HA3 GLY 96 HA2 GLY 96 9.188 -6.917 6.828 829 H PHE 97 H PHE 97 7.146 -5.429 4.632 830 HA PHE 97 HA PHE 97 7.179 -2.848 6.012 831 HB2 PHE 97 HB3 PHE 97 7.175 -2.971 3.495 832 HB3 PHE 97 HB2 PHE 97 5.554 -3.652 3.589 833 HD1 PHE 97 HD2 PHE 97 7.513 -0.688 4.712 834 HD2 PHE 97 HD1 PHE 97 3.738 -2.229 3.494 835 HE1 PHE 97 HE2 PHE 97 6.575 1.587 4.749 836 HE2 PHE 97 HE1 PHE 97 2.794 0.042 3.528 837 HZ PHE 97 HZ PHE 97 4.214 1.955 4.156 838 H LEU 98 H LEU 98 5.365 -2.001 7.033 839 HA LEU 98 HA LEU 98 3.701 -3.944 8.318 840 HB2 LEU 98 HB3 LEU 98 4.650 -1.842 9.366 841 HB3 LEU 98 HB2 LEU 98 3.458 -0.941 8.450 842 HG LEU 98 HG LEU 98 1.671 -2.266 9.618 843 HD11 LEU 98 HD11 LEU 98 3.989 -3.153 11.330 844 HD12 LEU 98 HD12 LEU 98 3.038 -4.182 10.260 845 HD13 LEU 98 HD13 LEU 98 2.282 -3.439 11.670 846 HD21 LEU 98 HD21 LEU 98 1.850 -1.011 11.718 847 HD22 LEU 98 HD22 LEU 98 2.238 -0.007 10.320 848 HD23 LEU 98 HD23 LEU 98 3.531 -0.632 11.343 849 H CYS 99 H CYS 99 2.137 -4.847 7.130 850 HA CYS 99 HA CYS 99 0.308 -3.073 5.648 851 HB2 CYS 99 HB3 CYS 99 1.071 -5.848 4.733 852 HB3 CYS 99 HB2 CYS 99 0.186 -4.620 3.835 853 HG CYS 99 HG CYS 99 3.515 -4.545 4.621 854 HA PRO 100 HA PRO 100 -2.847 -5.377 7.847 855 HB2 PRO 100 HB2 PRO 100 -4.965 -4.971 6.203 856 HB3 PRO 100 HB3 PRO 100 -4.325 -3.701 7.252 857 HG2 PRO 100 HG3 PRO 100 -3.879 -4.150 4.329 858 HG3 PRO 100 HG2 PRO 100 -4.166 -2.631 5.199 859 HD2 PRO 100 HD3 PRO 100 -1.688 -3.457 4.414 860 HD3 PRO 100 HD2 PRO 100 -1.967 -2.437 5.840 861 H ASP 101 H ASP 101 -3.851 -7.427 7.735 862 HA ASP 101 HA ASP 101 -2.889 -9.170 5.693 863 HB2 ASP 101 HB3 ASP 101 -3.297 -10.018 7.970 864 HB3 ASP 101 HB2 ASP 101 -5.022 -9.713 7.772 865 H LEU 102 H LEU 102 -3.603 -9.082 3.732 866 HA LEU 102 HA LEU 102 -6.056 -7.797 3.053 867 HB2 LEU 102 HB3 LEU 102 -3.740 -7.887 1.834 868 HB3 LEU 102 HB2 LEU 102 -4.385 -9.347 1.112 869 HG LEU 102 HG LEU 102 -6.248 -8.066 0.159 870 HD11 LEU 102 HD11 LEU 102 -4.863 -5.673 1.366 871 HD12 LEU 102 HD12 LEU 102 -6.411 -6.341 1.883 872 HD13 LEU 102 HD13 LEU 102 -6.251 -5.627 0.278 873 HD21 LEU 102 HD21 LEU 102 -4.956 -6.800 -1.481 874 HD22 LEU 102 HD22 LEU 102 -4.193 -8.353 -1.133 875 HD23 LEU 102 HD23 LEU 102 -3.541 -6.872 -0.429 876 H SER 103 H SER 103 -5.611 -10.776 4.229 877 HA SER 103 HA SER 103 -7.807 -11.900 2.630 878 HB2 SER 103 HB3 SER 103 -5.510 -13.380 3.930 879 HB3 SER 103 HB2 SER 103 -6.881 -14.147 3.128 880 HG SER 103 HG SER 103 -6.180 -12.684 1.281 881 H ASP 104 H ASP 104 -7.359 -10.435 5.431 882 HA ASP 104 HA ASP 104 -8.926 -12.302 7.051 883 HB2 ASP 104 HB3 ASP 104 -7.094 -10.987 8.128 884 HB3 ASP 104 HB2 ASP 104 -7.987 -9.513 7.766 885 H ALA 105 H ALA 105 -11.004 -12.376 6.532 886 HA ALA 105 HA ALA 105 -12.217 -10.584 4.796 887 HB1 ALA 105 HB1 ALA 105 -12.916 -12.913 5.114 888 HB2 ALA 105 HB2 ALA 105 -14.273 -11.791 5.203 889 HB3 ALA 105 HB3 ALA 105 -13.603 -12.484 6.680 890 H LYS 106 H LYS 106 -12.302 -10.532 8.354 891 HA LYS 106 HA LYS 106 -14.409 -8.530 8.227 892 HB2 LYS 106 HB3 LYS 106 -14.207 -10.421 10.015 893 HB3 LYS 106 HB2 LYS 106 -13.098 -9.300 10.803 894 HG2 LYS 106 HG3 LYS 106 -14.867 -7.572 10.746 895 HG3 LYS 106 HG2 LYS 106 -15.972 -8.768 10.072 896 HD2 LYS 106 HD3 LYS 106 -15.458 -10.168 12.134 897 HD3 LYS 106 HD2 LYS 106 -14.712 -8.713 12.800 898 HE2 LYS 106 HE3 LYS 106 -17.576 -9.042 11.914 899 HE3 LYS 106 HE2 LYS 106 -16.996 -8.876 13.569 900 HZ1 LYS 106 HZ1 LYS 106 -16.254 -6.637 13.053 901 HZ2 LYS 106 HZ2 LYS 106 -17.904 -6.806 12.729 902 HZ3 LYS 106 HZ3 LYS 106 -16.794 -6.793 11.449 903 H ASN 107 H ASN 107 -10.947 -8.689 8.745 904 HA ASN 107 HA ASN 107 -10.747 -5.955 9.579 905 HB2 ASN 107 HB3 ASN 107 -8.922 -8.108 9.160 906 HB3 ASN 107 HB2 ASN 107 -8.370 -6.730 8.212 907 HD21 ASN 107 HD22 ASN 107 -10.180 -6.546 11.215 908 HD22 ASN 107 HD21 ASN 107 -8.918 -5.805 12.147 909 H MET 108 H MET 108 -10.777 -7.680 6.542 910 HA MET 108 HA MET 108 -10.322 -5.452 4.855 911 HB2 MET 108 HB3 MET 108 -11.834 -8.024 4.356 912 HB3 MET 108 HB2 MET 108 -11.438 -6.850 3.109 913 HG2 MET 108 HG3 MET 108 -9.448 -8.367 4.781 914 HG3 MET 108 HG2 MET 108 -9.897 -8.742 3.118 915 HE1 MET 108 HE1 MET 108 -8.583 -5.615 1.189 916 HE2 MET 108 HE2 MET 108 -10.195 -5.831 1.882 917 HE3 MET 108 HE3 MET 108 -9.401 -7.179 1.070 918 H GLU 109 H GLU 109 -13.085 -6.642 6.585 919 HA GLU 109 HA GLU 109 -15.093 -5.110 5.339 920 HB2 GLU 109 HB3 GLU 109 -15.698 -6.895 6.836 921 HB3 GLU 109 HB2 GLU 109 -14.817 -6.155 8.161 922 HG2 GLU 109 HG3 GLU 109 -16.416 -4.328 8.230 923 HG3 GLU 109 HG2 GLU 109 -17.284 -5.026 6.862 924 H PHE 110 H PHE 110 -13.089 -4.449 8.212 925 HA PHE 110 HA PHE 110 -13.961 -1.790 8.589 926 HB2 PHE 110 HB3 PHE 110 -11.263 -2.964 9.303 927 HB3 PHE 110 HB2 PHE 110 -11.969 -1.501 9.974 928 HD1 PHE 110 HD2 PHE 110 -14.597 -2.130 10.762 929 HD2 PHE 110 HD1 PHE 110 -11.160 -4.636 10.838 930 HE1 PHE 110 HE2 PHE 110 -15.611 -3.460 12.565 931 HE2 PHE 110 HE1 PHE 110 -12.168 -5.971 12.640 932 HZ PHE 110 HZ PHE 110 -14.396 -5.383 13.507 933 H LEU 111 H LEU 111 -11.422 -3.234 6.663 934 HA LEU 111 HA LEU 111 -10.122 -0.853 5.885 935 HB2 LEU 111 HB3 LEU 111 -9.106 -3.080 5.764 936 HB3 LEU 111 HB2 LEU 111 -10.261 -3.554 4.539 937 HG LEU 111 HG LEU 111 -8.555 -1.205 3.915 938 HD11 LEU 111 HD11 LEU 111 -6.698 -2.634 3.230 939 HD12 LEU 111 HD12 LEU 111 -7.516 -4.037 3.919 940 HD13 LEU 111 HD13 LEU 111 -6.964 -2.733 4.970 941 HD21 LEU 111 HD21 LEU 111 -10.219 -2.043 2.331 942 HD22 LEU 111 HD22 LEU 111 -9.439 -3.626 2.351 943 HD23 LEU 111 HD23 LEU 111 -8.580 -2.227 1.705 944 H ARG 112 H ARG 112 -12.775 -2.709 4.444 945 HA ARG 112 HA ARG 112 -12.860 -1.102 2.069 946 HB2 ARG 112 HB3 ARG 112 -13.638 -3.505 2.252 947 HB3 ARG 112 HB2 ARG 112 -15.046 -2.901 3.117 948 HG2 ARG 112 HG3 ARG 112 -15.579 -1.491 1.144 949 HG3 ARG 112 HG2 ARG 112 -14.249 -2.270 0.285 950 HD2 ARG 112 HD3 ARG 112 -15.390 -4.468 0.791 951 HD3 ARG 112 HD2 ARG 112 -16.781 -3.521 1.314 952 HE ARG 112 HE ARG 112 -15.665 -3.330 -1.411 953 HH11 ARG 112 HH11 ARG 112 -18.394 -3.535 0.778 954 HH12 ARG 112 HH12 ARG 112 -19.571 -3.565 -0.510 955 HH21 ARG 112 HH22 ARG 112 -17.208 -3.345 -3.085 956 HH22 ARG 112 HH21 ARG 112 -18.898 -3.444 -2.689 957 H ASN 113 H ASN 113 -14.321 -0.974 5.208 958 HA ASN 113 HA ASN 113 -16.147 1.162 4.329 959 HB2 ASN 113 HB3 ASN 113 -16.124 -0.472 6.881 960 HB3 ASN 113 HB2 ASN 113 -17.278 0.805 6.515 961 HD21 ASN 113 HD22 ASN 113 -17.671 -2.046 7.046 962 HD22 ASN 113 HD21 ASN 113 -18.528 -2.674 5.680 963 H TRP 114 H TRP 114 -13.193 1.287 4.884 964 HA TRP 114 HA TRP 114 -12.704 2.539 7.348 965 HB2 TRP 114 HB3 TRP 114 -11.026 1.511 5.699 966 HB3 TRP 114 HB2 TRP 114 -11.107 3.046 4.843 967 HD1 TRP 114 HD1 TRP 114 -10.480 1.977 8.533 968 HE1 TRP 114 HE1 TRP 114 -8.538 3.401 9.448 969 HE3 TRP 114 HE3 TRP 114 -9.558 4.831 4.394 970 HZ2 TRP 114 HZ2 TRP 114 -6.832 5.454 8.520 971 HZ3 TRP 114 HZ3 TRP 114 -7.752 6.498 4.489 972 HH2 TRP 114 HH2 TRP 114 -6.419 6.803 6.511 973 H ASN 115 H ASN 115 -13.639 4.326 7.997 974 HA ASN 115 HA ASN 115 -14.704 6.278 6.193 975 HB2 ASN 115 HB3 ASN 115 -15.719 5.612 8.406 976 HB3 ASN 115 HB2 ASN 115 -14.413 6.487 9.197 977 HD21 ASN 115 HD22 ASN 115 -14.446 8.723 9.221 978 HD22 ASN 115 HD21 ASN 115 -15.821 9.642 8.720 979 H GLY 116 H GLY 116 -11.651 5.747 7.438 980 HA2 GLY 116 HA3 GLY 116 -9.744 7.058 7.032 981 HA3 GLY 116 HA2 GLY 116 -10.791 8.441 6.732 982 H THR 117 H THR 117 -10.131 6.207 9.414 983 HA THR 117 HA THR 117 -9.696 8.494 11.175 984 HB THR 117 HB THR 117 -12.052 7.993 11.475 985 HG1 THR 117 HG1 THR 117 -11.785 8.238 13.542 986 HG21 THR 117 HG21 THR 117 -12.825 5.801 12.255 987 HG22 THR 117 HG22 THR 117 -11.189 5.163 12.081 988 HG23 THR 117 HG23 THR 117 -12.085 5.695 10.657 989 H PHE 118 H PHE 118 -8.454 7.979 13.041 990 HA PHE 118 HA PHE 118 -6.599 5.829 12.544 991 HB2 PHE 118 HB3 PHE 118 -5.856 8.080 13.292 992 HB3 PHE 118 HB2 PHE 118 -6.675 7.815 14.827 993 HD1 PHE 118 HD1 PHE 118 -4.026 6.403 12.637 994 HD2 PHE 118 HD2 PHE 118 -5.534 6.834 16.592 995 HE1 PHE 118 HE1 PHE 118 -1.983 5.361 13.526 996 HE2 PHE 118 HE2 PHE 118 -3.495 5.791 17.487 997 HZ PHE 118 HZ PHE 118 -1.716 5.053 15.954 998 H GLY 119 H GLY 119 -9.438 6.293 14.364 999 HA2 GLY 119 HA3 GLY 119 -9.024 4.525 16.513 1000 HA3 GLY 119 HA2 GLY 119 -10.585 4.919 15.807 1001 H LEU 120 H LEU 120 -9.920 3.956 13.169 1002 HA LEU 120 HA LEU 120 -10.552 1.193 13.578 1003 HB2 LEU 120 HB3 LEU 120 -10.174 2.869 11.113 1004 HB3 LEU 120 HB2 LEU 120 -10.447 1.140 11.026 1005 HG LEU 120 HG LEU 120 -12.334 3.163 12.235 1006 HD11 LEU 120 HD11 LEU 120 -13.779 2.588 10.347 1007 HD12 LEU 120 HD12 LEU 120 -12.514 1.544 9.697 1008 HD13 LEU 120 HD13 LEU 120 -12.253 3.285 9.805 1009 HD21 LEU 120 HD21 LEU 120 -13.880 1.280 12.443 1010 HD22 LEU 120 HD22 LEU 120 -12.420 1.016 13.398 1011 HD23 LEU 120 HD23 LEU 120 -12.628 0.185 11.857 1012 H LEU 121 H LEU 121 -7.673 2.793 13.615 1013 HA LEU 121 HA LEU 121 -6.135 0.683 12.355 1014 HB2 LEU 121 HB3 LEU 121 -5.460 3.279 13.667 1015 HB3 LEU 121 HB2 LEU 121 -4.216 2.054 13.534 1016 HG LEU 121 HG LEU 121 -4.060 3.651 11.702 1017 HD11 LEU 121 HD11 LEU 121 -3.380 1.358 11.284 1018 HD12 LEU 121 HD12 LEU 121 -4.081 2.076 9.834 1019 HD13 LEU 121 HD13 LEU 121 -5.025 0.943 10.802 1020 HD21 LEU 121 HD21 LEU 121 -6.403 4.326 11.589 1021 HD22 LEU 121 HD22 LEU 121 -6.833 2.743 10.946 1022 HD23 LEU 121 HD23 LEU 121 -5.802 3.825 10.010 1023 H ASN 122 H ASN 122 -7.667 1.200 15.253 1024 HA ASN 122 HA ASN 122 -5.951 -0.571 16.788 1025 HB2 ASN 122 HB3 ASN 122 -8.607 0.747 17.388 1026 HB3 ASN 122 HB2 ASN 122 -7.861 -0.419 18.473 1027 HD21 ASN 122 HD22 ASN 122 -7.607 1.020 20.132 1028 HD22 ASN 122 HD21 ASN 122 -6.452 2.314 20.089 1029 H THR 123 H THR 123 -8.914 -0.613 14.943 1030 HA THR 123 HA THR 123 -9.598 -3.310 15.659 1031 HB THR 123 HB THR 123 -11.354 -3.088 13.926 1032 HG1 THR 123 HG1 THR 123 -10.633 -1.744 12.388 1033 HG21 THR 123 HG21 THR 123 -11.761 -2.276 16.218 1034 HG22 THR 123 HG22 THR 123 -12.635 -1.323 15.017 1035 HG23 THR 123 HG23 THR 123 -11.161 -0.684 15.747 1036 H LEU 124 H LEU 124 -8.006 -1.652 13.007 1037 HA LEU 124 HA LEU 124 -7.620 -4.007 11.425 1038 HB2 LEU 124 HB3 LEU 124 -6.308 -1.295 11.382 1039 HB3 LEU 124 HB2 LEU 124 -5.880 -2.579 10.271 1040 HG LEU 124 HG LEU 124 -8.596 -1.288 10.485 1041 HD11 LEU 124 HD11 LEU 124 -8.020 -0.369 8.267 1042 HD12 LEU 124 HD12 LEU 124 -6.392 -1.031 8.444 1043 HD13 LEU 124 HD13 LEU 124 -6.959 0.223 9.547 1044 HD21 LEU 124 HD21 LEU 124 -8.740 -3.623 9.800 1045 HD22 LEU 124 HD22 LEU 124 -7.527 -3.339 8.552 1046 HD23 LEU 124 HD23 LEU 124 -9.100 -2.548 8.449 1047 H ARG 125 H ARG 125 -6.082 -5.493 11.596 1048 HA ARG 125 HA ARG 125 -3.912 -4.978 13.512 1049 HB2 ARG 125 HB3 ARG 125 -4.890 -7.628 12.432 1050 HB3 ARG 125 HB2 ARG 125 -3.611 -7.412 13.618 1051 HG2 ARG 125 HG3 ARG 125 -5.164 -7.632 15.185 1052 HG3 ARG 125 HG2 ARG 125 -5.779 -6.053 14.693 1053 HD2 ARG 125 HD3 ARG 125 -7.585 -7.656 14.704 1054 HD3 ARG 125 HD2 ARG 125 -7.236 -7.172 13.045 1055 HE ARG 125 HE ARG 125 -6.002 -9.619 14.062 1056 HH11 ARG 125 HH11 ARG 125 -8.444 -8.130 12.051 1057 HH12 ARG 125 HH12 ARG 125 -8.698 -9.551 11.088 1058 HH21 ARG 125 HH22 ARG 125 -6.339 -11.492 12.789 1059 HH22 ARG 125 HH21 ARG 125 -7.503 -11.448 11.489 1060 H LEU 126 H LEU 126 -2.769 -3.726 11.976 1061 HA LEU 126 HA LEU 126 -1.880 -4.848 9.514 1062 HB2 LEU 126 HB3 LEU 126 -1.232 -2.402 11.087 1063 HB3 LEU 126 HB2 LEU 126 -0.082 -2.922 9.870 1064 HG LEU 126 HG LEU 126 -1.956 -2.846 8.195 1065 HD11 LEU 126 HD11 LEU 126 -3.943 -1.553 8.753 1066 HD12 LEU 126 HD12 LEU 126 -3.403 -1.429 10.426 1067 HD13 LEU 126 HD13 LEU 126 -3.827 -3.002 9.751 1068 HD21 LEU 126 HD21 LEU 126 -1.250 -0.281 9.615 1069 HD22 LEU 126 HD22 LEU 126 -1.903 -0.404 7.982 1070 HD23 LEU 126 HD23 LEU 126 -0.312 -1.069 8.346 1071 H ILE 127 H ILE 127 -0.351 -6.257 9.188 1072 HA ILE 127 HA ILE 127 1.431 -6.956 11.423 1073 HB ILE 127 HB ILE 127 1.691 -9.141 10.226 1074 HG12 ILE 127 HG13 ILE 127 -0.575 -8.050 8.535 1075 HG13 ILE 127 HG12 ILE 127 1.062 -8.371 7.978 1076 HG21 ILE 127 HG21 ILE 127 -1.120 -8.389 11.023 1077 HG22 ILE 127 HG22 ILE 127 0.167 -8.910 12.110 1078 HG23 ILE 127 HG23 ILE 127 -0.486 -10.031 10.916 1079 HD11 ILE 127 HD11 ILE 127 0.740 -10.750 8.392 1080 HD12 ILE 127 HD12 ILE 127 -0.472 -10.115 7.280 1081 HD13 ILE 127 HD13 ILE 127 -0.898 -10.430 8.963 1082 H ARG 128 H ARG 128 3.514 -8.097 10.454 1083 HA ARG 128 HA ARG 128 4.653 -6.166 8.579 1084 HB2 ARG 128 HB3 ARG 128 5.816 -6.664 10.751 1085 HB3 ARG 128 HB2 ARG 128 6.081 -8.303 10.171 1086 HG2 ARG 128 HG3 ARG 128 7.388 -7.440 8.304 1087 HG3 ARG 128 HG2 ARG 128 7.114 -5.791 8.873 1088 HD2 ARG 128 HD3 ARG 128 8.632 -7.986 10.271 1089 HD3 ARG 128 HD2 ARG 128 9.285 -6.492 9.602 1090 HE ARG 128 HE ARG 128 7.293 -6.245 11.717 1091 HH11 ARG 128 HH11 ARG 128 10.656 -6.099 10.761 1092 HH12 ARG 128 HH12 ARG 128 11.152 -5.248 12.189 1093 HH21 ARG 128 HH22 ARG 128 7.940 -5.177 13.596 1094 HH22 ARG 128 HH21 ARG 128 9.607 -4.737 13.814 1095 H ILE 129 H ILE 129 4.807 -6.693 6.503 1096 HA ILE 129 HA ILE 129 4.641 -9.550 5.816 1097 HB ILE 129 HB ILE 129 3.625 -7.130 4.354 1098 HG12 ILE 129 HG13 ILE 129 2.288 -9.598 5.480 1099 HG13 ILE 129 HG12 ILE 129 2.185 -7.966 6.131 1100 HG21 ILE 129 HG21 ILE 129 2.887 -8.646 2.567 1101 HG22 ILE 129 HG22 ILE 129 3.744 -9.972 3.354 1102 HG23 ILE 129 HG23 ILE 129 4.645 -8.599 2.710 1103 HD11 ILE 129 HD11 ILE 129 1.093 -8.893 3.485 1104 HD12 ILE 129 HD12 ILE 129 1.006 -7.247 4.113 1105 HD13 ILE 129 HD13 ILE 129 0.162 -8.554 4.945 1106 H ASN 130 H ASN 130 6.191 -10.453 4.695 1107 HA ASN 130 HA ASN 130 8.417 -8.765 3.777 1108 HB2 ASN 130 HB3 ASN 130 8.944 -10.385 5.555 1109 HB3 ASN 130 HB2 ASN 130 8.356 -11.696 4.539 1110 HD21 ASN 130 HD22 ASN 130 9.605 -12.391 2.803 1111 HD22 ASN 130 HD21 ASN 130 11.272 -11.951 2.634 1112 H ASP 131 H ASP 131 8.829 -8.634 1.686 1113 HA ASP 131 HA ASP 131 9.121 -9.115 -0.494 1114 HB2 ASP 131 HB3 ASP 131 10.175 -11.174 0.408 1115 HB3 ASP 131 HB2 ASP 131 8.625 -11.996 0.267 1116 H LYS 132 H LYS 132 6.745 -11.714 0.058 1117 HA LYS 132 HA LYS 132 5.064 -10.397 -1.967 1118 HB2 LYS 132 HB3 LYS 132 5.179 -13.281 -1.084 1119 HB3 LYS 132 HB2 LYS 132 3.986 -12.643 -2.206 1120 HG2 LYS 132 HG3 LYS 132 5.742 -12.053 -3.770 1121 HG3 LYS 132 HG2 LYS 132 6.963 -12.632 -2.637 1122 HD2 LYS 132 HD3 LYS 132 4.764 -14.399 -3.676 1123 HD3 LYS 132 HD2 LYS 132 6.292 -14.201 -4.530 1124 HE2 LYS 132 HE3 LYS 132 6.478 -16.166 -3.211 1125 HE3 LYS 132 HE2 LYS 132 7.454 -14.926 -2.430 1126 HZ1 LYS 132 HZ1 LYS 132 4.697 -15.657 -1.600 1127 HZ2 LYS 132 HZ2 LYS 132 5.750 -14.601 -0.792 1128 HZ3 LYS 132 HZ3 LYS 132 6.107 -16.255 -0.874 1129 H GLY 133 H GLY 133 4.483 -12.637 0.720 1130 HA2 GLY 133 HA3 GLY 133 2.640 -10.791 1.980 1131 HA3 GLY 133 HA2 GLY 133 1.878 -12.196 1.242 1132 H GLU 134 H GLU 134 5.052 -12.162 2.671 1133 HA GLU 134 HA GLU 134 4.280 -14.381 4.365 1134 HB2 GLU 134 HB3 GLU 134 6.947 -13.054 3.862 1135 HB3 GLU 134 HB2 GLU 134 6.727 -14.377 4.996 1136 HG2 GLU 134 HG3 GLU 134 7.467 -15.476 3.123 1137 HG3 GLU 134 HG2 GLU 134 5.720 -15.629 2.964 1138 H GLN 135 H GLN 135 3.928 -14.302 6.498 1139 HA GLN 135 HA GLN 135 3.693 -11.653 7.653 1140 HB2 GLN 135 HB3 GLN 135 1.861 -13.351 7.784 1141 HB3 GLN 135 HB2 GLN 135 2.893 -14.315 8.829 1142 HG2 GLN 135 HG3 GLN 135 2.881 -12.613 10.512 1143 HG3 GLN 135 HG2 GLN 135 2.010 -11.510 9.447 1144 HE21 GLN 135 HE22 GLN 135 1.261 -12.485 12.075 1145 HE22 GLN 135 HE21 GLN 135 -0.258 -13.292 11.879 1146 H VAL 136 H VAL 136 5.483 -10.855 8.483 1147 HA VAL 136 HA VAL 136 7.481 -12.536 9.729 1148 HB VAL 136 HB VAL 136 7.476 -9.527 9.787 1149 HG11 VAL 136 HG11 VAL 136 9.904 -9.812 9.741 1150 HG12 VAL 136 HG12 VAL 136 9.697 -11.562 9.672 1151 HG13 VAL 136 HG13 VAL 136 9.175 -10.668 11.100 1152 HG21 VAL 136 HG21 VAL 136 8.308 -11.272 7.471 1153 HG22 VAL 136 HG22 VAL 136 8.687 -9.556 7.628 1154 HG23 VAL 136 HG23 VAL 136 7.007 -10.077 7.485 1155 H VAL 137 H VAL 137 6.485 -13.374 11.541 1156 HA VAL 137 HA VAL 137 5.268 -11.548 13.455 1157 HB VAL 137 HB VAL 137 4.697 -13.633 14.712 1158 HG11 VAL 137 HG11 VAL 137 3.106 -12.627 13.181 1159 HG12 VAL 137 HG12 VAL 137 2.992 -14.386 13.108 1160 HG13 VAL 137 HG13 VAL 137 3.824 -13.502 11.828 1161 HG21 VAL 137 HG21 VAL 137 4.953 -15.786 13.575 1162 HG22 VAL 137 HG22 VAL 137 6.520 -15.045 13.906 1163 HG23 VAL 137 HG23 VAL 137 5.847 -14.994 12.276 1164 H GLY 138 H GLY 138 5.854 -11.618 15.717 1165 HA2 GLY 138 HA3 GLY 138 7.379 -11.952 17.478 1166 HA3 GLY 138 HA2 GLY 138 8.522 -12.640 16.330 1167 H GLY 139 H GLY 139 7.119 -9.788 15.214 1168 HA2 GLY 139 HA3 GLY 139 9.597 -8.347 15.432 1169 HA3 GLY 139 HA2 GLY 139 8.106 -7.758 14.708 1170 H ASN 140 H ASN 140 6.834 -8.701 17.349 1171 HA ASN 140 HA ASN 140 6.074 -7.755 19.256 1172 HB2 ASN 140 HB3 ASN 140 8.488 -8.277 19.874 1173 HB3 ASN 140 HB2 ASN 140 8.836 -6.578 19.577 1174 HD21 ASN 140 HD22 ASN 140 9.072 -8.087 22.023 1175 HD22 ASN 140 HD21 ASN 140 8.063 -7.305 23.195 1176 H GLU 141 H GLU 141 4.766 -6.396 17.865 1177 HA GLU 141 HA GLU 141 5.451 -3.561 18.206 1178 HB2 GLU 141 HB3 GLU 141 4.134 -4.783 15.768 1179 HB3 GLU 141 HB2 GLU 141 4.461 -3.072 16.013 1180 HG2 GLU 141 HG3 GLU 141 6.846 -3.501 16.013 1181 HG3 GLU 141 HG2 GLU 141 6.554 -5.229 15.847 Start of MODEL 12 1 H MET 1 H MET 1 4.744 38.383 12.142 2 HA MET 1 HA MET 1 2.418 37.672 12.192 3 HB2 MET 1 HB3 MET 1 1.958 40.476 11.150 4 HB3 MET 1 HB2 MET 1 0.753 39.198 11.153 5 HG2 MET 1 HG3 MET 1 0.839 39.133 13.596 6 HG3 MET 1 HG2 MET 1 2.034 40.428 13.582 7 HE1 MET 1 HE1 MET 1 -1.688 39.427 12.863 8 HE2 MET 1 HE2 MET 1 -1.146 39.982 11.279 9 HE3 MET 1 HE3 MET 1 -2.340 40.916 12.179 10 H ARG 2 H ARG 2 1.415 36.911 10.229 11 HA ARG 2 HA ARG 2 3.042 37.409 7.823 12 HB2 ARG 2 HB3 ARG 2 3.328 35.123 8.799 13 HB3 ARG 2 HB2 ARG 2 1.612 34.842 8.544 14 HG2 ARG 2 HG3 ARG 2 1.895 35.057 6.154 15 HG3 ARG 2 HG2 ARG 2 3.601 35.451 6.369 16 HD2 ARG 2 HD3 ARG 2 3.957 33.238 7.389 17 HD3 ARG 2 HD2 ARG 2 2.264 32.849 7.097 18 HE ARG 2 HE ARG 2 3.133 33.503 4.631 19 HH11 ARG 2 HH11 ARG 2 4.400 31.345 7.082 20 HH12 ARG 2 HH12 ARG 2 5.139 30.267 5.943 21 HH21 ARG 2 HH22 ARG 2 4.093 32.066 3.121 22 HH22 ARG 2 HH21 ARG 2 4.951 30.664 3.690 23 H GLU 3 H GLU 3 1.950 37.783 5.916 24 HA GLU 3 HA GLU 3 -0.769 38.682 6.232 25 HB2 GLU 3 HB3 GLU 3 1.012 38.627 3.790 26 HB3 GLU 3 HB2 GLU 3 -0.551 39.426 3.887 27 HG2 GLU 3 HG3 GLU 3 0.315 40.908 5.627 28 HG3 GLU 3 HG2 GLU 3 1.884 40.112 5.516 29 H ASP 4 H ASP 4 0.777 35.832 5.199 30 HA ASP 4 HA ASP 4 -1.336 34.878 3.498 31 HB2 ASP 4 HB3 ASP 4 0.889 33.317 4.834 32 HB3 ASP 4 HB2 ASP 4 -0.135 32.749 3.520 33 H LYS 5 H LYS 5 -2.974 33.480 4.018 34 HA LYS 5 HA LYS 5 -3.459 33.171 6.903 35 HB2 LYS 5 HB3 LYS 5 -5.505 32.997 4.685 36 HB3 LYS 5 HB2 LYS 5 -5.810 33.124 6.413 37 HG2 LYS 5 HG3 LYS 5 -4.713 35.371 6.352 38 HG3 LYS 5 HG2 LYS 5 -4.678 35.231 4.594 39 HD2 LYS 5 HD3 LYS 5 -7.174 34.875 4.695 40 HD3 LYS 5 HD2 LYS 5 -7.087 35.339 6.397 41 HE2 LYS 5 HE3 LYS 5 -6.365 37.006 3.994 42 HE3 LYS 5 HE2 LYS 5 -7.681 37.280 5.132 43 HZ1 LYS 5 HZ1 LYS 5 -6.019 37.668 6.870 44 HZ2 LYS 5 HZ2 LYS 5 -5.848 38.762 5.583 45 HZ3 LYS 5 HZ3 LYS 5 -4.781 37.458 5.733 46 H ILE 6 H ILE 6 -4.431 31.192 7.642 47 HA ILE 6 HA ILE 6 -3.782 28.888 5.930 48 HB ILE 6 HB ILE 6 -2.010 29.251 7.621 49 HG12 ILE 6 HG13 ILE 6 -3.675 26.782 8.170 50 HG13 ILE 6 HG12 ILE 6 -2.536 26.963 6.841 51 HG21 ILE 6 HG21 ILE 6 -2.492 28.900 10.000 52 HG22 ILE 6 HG22 ILE 6 -4.214 28.813 9.629 53 HG23 ILE 6 HG23 ILE 6 -3.327 30.313 9.354 54 HD11 ILE 6 HD11 ILE 6 -0.707 27.180 8.437 55 HD12 ILE 6 HD12 ILE 6 -1.585 25.668 8.662 56 HD13 ILE 6 HD13 ILE 6 -1.848 27.014 9.771 57 H ALA 7 H ALA 7 -5.003 26.971 6.367 58 HA ALA 7 HA ALA 7 -7.694 27.479 7.252 59 HB1 ALA 7 HB1 ALA 7 -7.275 26.046 5.315 60 HB2 ALA 7 HB2 ALA 7 -8.128 25.168 6.584 61 HB3 ALA 7 HB3 ALA 7 -6.401 24.908 6.340 62 H ALA 8 H ALA 8 -8.757 26.421 8.969 63 HA ALA 8 HA ALA 8 -7.171 26.150 11.324 64 HB1 ALA 8 HB1 ALA 8 -10.078 25.476 10.884 65 HB2 ALA 8 HB2 ALA 8 -9.444 27.043 11.385 66 HB3 ALA 8 HB3 ALA 8 -9.279 25.645 12.446 67 H LYS 9 H LYS 9 -8.424 23.924 8.981 68 HA LYS 9 HA LYS 9 -7.847 21.622 10.667 69 HB2 LYS 9 HB3 LYS 9 -8.912 21.753 7.839 70 HB3 LYS 9 HB2 LYS 9 -8.760 20.292 8.806 71 HG2 LYS 9 HG3 LYS 9 -10.338 21.254 10.443 72 HG3 LYS 9 HG2 LYS 9 -10.542 22.650 9.384 73 HD2 LYS 9 HD3 LYS 9 -11.373 21.167 7.614 74 HD3 LYS 9 HD2 LYS 9 -11.183 19.782 8.694 75 HE2 LYS 9 HE3 LYS 9 -12.998 22.154 9.125 76 HE3 LYS 9 HE2 LYS 9 -13.499 20.531 8.654 77 HZ1 LYS 9 HZ1 LYS 9 -13.826 20.905 11.018 78 HZ2 LYS 9 HZ2 LYS 9 -12.181 21.263 11.220 79 HZ3 LYS 9 HZ3 LYS 9 -12.661 19.698 10.769 80 H LYS 10 H LYS 10 -6.235 20.142 10.274 81 HA LYS 10 HA LYS 10 -3.923 21.209 8.926 82 HB2 LYS 10 HB3 LYS 10 -4.372 18.635 10.434 83 HB3 LYS 10 HB2 LYS 10 -2.821 19.123 9.765 84 HG2 LYS 10 HG3 LYS 10 -2.843 21.122 11.172 85 HG3 LYS 10 HG2 LYS 10 -4.395 20.625 11.846 86 HD2 LYS 10 HD3 LYS 10 -3.382 18.616 12.761 87 HD3 LYS 10 HD2 LYS 10 -1.833 19.044 12.032 88 HE2 LYS 10 HE3 LYS 10 -1.737 21.060 13.396 89 HE3 LYS 10 HE2 LYS 10 -3.304 20.669 14.102 90 HZ1 LYS 10 HZ1 LYS 10 -1.448 20.052 15.539 91 HZ2 LYS 10 HZ2 LYS 10 -0.858 19.000 14.346 92 HZ3 LYS 10 HZ3 LYS 10 -2.357 18.696 15.080 93 H LYS 11 H LYS 11 -6.447 20.008 7.536 94 HA LYS 11 HA LYS 11 -5.538 17.899 5.902 95 HB2 LYS 11 HB3 LYS 11 -7.881 18.314 6.013 96 HB3 LYS 11 HB2 LYS 11 -7.678 19.995 5.547 97 HG2 LYS 11 HG3 LYS 11 -7.111 19.363 3.299 98 HG3 LYS 11 HG2 LYS 11 -7.117 17.653 3.740 99 HD2 LYS 11 HD3 LYS 11 -9.453 17.642 4.070 100 HD3 LYS 11 HD2 LYS 11 -9.537 19.403 4.081 101 HE2 LYS 11 HE3 LYS 11 -10.398 18.412 1.993 102 HE3 LYS 11 HE2 LYS 11 -9.030 19.490 1.729 103 HZ1 LYS 11 HZ1 LYS 11 -7.602 17.660 1.381 104 HZ2 LYS 11 HZ2 LYS 11 -8.984 17.362 0.453 105 HZ3 LYS 11 HZ3 LYS 11 -8.754 16.539 1.918 106 H LEU 12 H LEU 12 -5.118 21.352 5.793 107 HA LEU 12 HA LEU 12 -4.106 21.390 3.090 108 HB2 LEU 12 HB3 LEU 12 -5.358 23.286 4.112 109 HB3 LEU 12 HB2 LEU 12 -4.021 23.537 5.215 110 HG LEU 12 HG LEU 12 -2.553 24.012 3.256 111 HD11 LEU 12 HD11 LEU 12 -3.794 22.806 1.554 112 HD12 LEU 12 HD12 LEU 12 -3.614 24.502 1.105 113 HD13 LEU 12 HD13 LEU 12 -5.153 23.915 1.735 114 HD21 LEU 12 HD21 LEU 12 -3.441 26.244 2.850 115 HD22 LEU 12 HD22 LEU 12 -3.583 25.809 4.553 116 HD23 LEU 12 HD23 LEU 12 -5.002 25.754 3.507 117 H HIS 13 H HIS 13 -2.853 20.399 5.992 118 HA HIS 13 HA HIS 13 -0.219 21.522 5.829 119 HB2 HIS 13 HB3 HIS 13 -1.459 20.627 7.916 120 HB3 HIS 13 HB2 HIS 13 -0.961 19.034 7.363 121 HD1 HIS 13 HD1 HIS 13 0.133 21.871 9.332 122 HD2 HIS 13 HD2 HIS 13 1.978 18.766 7.261 123 HE1 HIS 13 HE1 HIS 13 2.479 21.739 10.245 124 HE2 HIS 13 HE2 HIS 13 3.519 19.743 9.103 125 H GLN 14 H GLN 14 -1.861 18.838 4.455 126 HA GLN 14 HA GLN 14 -1.269 17.040 3.204 127 HB2 GLN 14 HB3 GLN 14 -0.423 18.915 1.769 128 HB3 GLN 14 HB2 GLN 14 1.164 18.688 2.489 129 HG2 GLN 14 HG3 GLN 14 1.259 16.422 1.593 130 HG3 GLN 14 HG2 GLN 14 -0.346 16.627 0.891 131 HE21 GLN 14 HE22 GLN 14 2.191 16.042 -0.431 132 HE22 GLN 14 HE21 GLN 14 2.433 17.313 -1.579 133 H ASP 15 H ASP 15 -0.962 15.813 5.139 134 HA ASP 15 HA ASP 15 1.689 15.679 6.289 135 HB2 ASP 15 HB3 ASP 15 -0.492 15.639 7.612 136 HB3 ASP 15 HB2 ASP 15 -0.686 13.983 7.049 137 H LYS 16 H LYS 16 2.924 13.781 6.486 138 HA LYS 16 HA LYS 16 2.895 12.161 4.126 139 HB2 LYS 16 HB3 LYS 16 4.897 11.067 5.119 140 HB3 LYS 16 HB2 LYS 16 5.040 12.808 4.970 141 HG2 LYS 16 HG3 LYS 16 4.195 11.535 7.548 142 HG3 LYS 16 HG2 LYS 16 5.896 11.684 7.106 143 HD2 LYS 16 HD3 LYS 16 5.544 14.132 6.826 144 HD3 LYS 16 HD2 LYS 16 3.899 13.922 7.427 145 HE2 LYS 16 HE3 LYS 16 4.770 13.077 9.540 146 HE3 LYS 16 HE2 LYS 16 6.419 13.240 8.938 147 HZ1 LYS 16 HZ1 LYS 16 5.913 15.124 10.288 148 HZ2 LYS 16 HZ2 LYS 16 4.480 15.434 9.441 149 HZ3 LYS 16 HZ3 LYS 16 5.980 15.650 8.682 150 H ARG 17 H ARG 17 1.834 11.783 7.432 151 HA ARG 17 HA ARG 17 1.659 8.945 7.422 152 HB2 ARG 17 HB3 ARG 17 0.156 11.003 9.049 153 HB3 ARG 17 HB2 ARG 17 0.078 9.270 9.331 154 HG2 ARG 17 HG3 ARG 17 2.499 9.253 9.762 155 HG3 ARG 17 HG2 ARG 17 2.527 11.005 9.548 156 HD2 ARG 17 HD3 ARG 17 0.902 9.528 11.616 157 HD3 ARG 17 HD2 ARG 17 2.441 10.330 11.921 158 HE ARG 17 HE ARG 17 0.919 12.303 10.864 159 HH11 ARG 17 HH11 ARG 17 0.421 10.043 13.503 160 HH12 ARG 17 HH12 ARG 17 -0.573 11.138 14.419 161 HH21 ARG 17 HH22 ARG 17 -0.382 13.757 12.084 162 HH22 ARG 17 HH21 ARG 17 -1.007 13.248 13.628 163 H VAL 18 H VAL 18 -0.396 11.496 6.244 164 HA VAL 18 HA VAL 18 -2.694 9.906 5.779 165 HB VAL 18 HB VAL 18 -1.752 12.473 4.497 166 HG11 VAL 18 HG11 VAL 18 -3.983 12.665 3.500 167 HG12 VAL 18 HG12 VAL 18 -4.381 11.046 4.077 168 HG13 VAL 18 HG13 VAL 18 -3.118 11.264 2.865 169 HG21 VAL 18 HG21 VAL 18 -3.627 13.408 5.797 170 HG22 VAL 18 HG22 VAL 18 -2.413 12.637 6.818 171 HG23 VAL 18 HG23 VAL 18 -3.926 11.802 6.467 172 H HIS 19 H HIS 19 0.246 10.514 3.972 173 HA HIS 19 HA HIS 19 -0.612 9.109 1.618 174 HB2 HIS 19 HB3 HIS 19 2.103 10.029 2.579 175 HB3 HIS 19 HB2 HIS 19 1.872 9.161 1.066 176 HD1 HIS 19 HD1 HIS 19 1.054 12.461 2.716 177 HD2 HIS 19 HD2 HIS 19 0.962 10.679 -1.039 178 HE1 HIS 19 HE1 HIS 19 0.575 14.319 1.097 179 HE2 HIS 19 HE2 HIS 19 0.794 13.257 -1.179 180 H GLU 20 H GLU 20 0.259 8.184 4.686 181 HA GLU 20 HA GLU 20 1.296 5.570 3.907 182 HB2 GLU 20 HB3 GLU 20 2.331 6.907 5.762 183 HB3 GLU 20 HB2 GLU 20 0.837 6.728 6.664 184 HG2 GLU 20 HG3 GLU 20 1.143 4.338 6.775 185 HG3 GLU 20 HG2 GLU 20 2.586 4.451 5.764 186 H LEU 21 H LEU 21 -1.382 7.024 5.754 187 HA LEU 21 HA LEU 21 -2.779 4.563 6.091 188 HB2 LEU 21 HB3 LEU 21 -3.867 7.373 6.261 189 HB3 LEU 21 HB2 LEU 21 -4.631 5.926 6.896 190 HG LEU 21 HG LEU 21 -2.039 7.135 7.874 191 HD11 LEU 21 HD11 LEU 21 -3.313 7.613 9.904 192 HD12 LEU 21 HD12 LEU 21 -4.774 6.993 9.133 193 HD13 LEU 21 HD13 LEU 21 -3.990 8.442 8.502 194 HD21 LEU 21 HD21 LEU 21 -2.033 4.695 8.053 195 HD22 LEU 21 HD22 LEU 21 -3.582 4.751 8.895 196 HD23 LEU 21 HD23 LEU 21 -2.147 5.456 9.639 197 H ALA 22 H ALA 22 -2.797 7.078 3.646 198 HA ALA 22 HA ALA 22 -5.111 6.446 2.251 199 HB1 ALA 22 HB1 ALA 22 -3.690 8.365 1.719 200 HB2 ALA 22 HB2 ALA 22 -4.061 7.405 0.285 201 HB3 ALA 22 HB3 ALA 22 -2.475 7.275 1.048 202 H ARG 23 H ARG 23 -2.253 4.540 2.565 203 HA ARG 23 HA ARG 23 -2.518 2.976 0.219 204 HB2 ARG 23 HB3 ARG 23 -1.333 2.168 2.888 205 HB3 ARG 23 HB2 ARG 23 -1.043 1.381 1.341 206 HG2 ARG 23 HG3 ARG 23 0.069 3.361 0.501 207 HG3 ARG 23 HG2 ARG 23 -0.297 4.227 1.990 208 HD2 ARG 23 HD3 ARG 23 1.034 2.468 3.208 209 HD3 ARG 23 HD2 ARG 23 1.548 1.874 1.629 210 HE ARG 23 HE ARG 23 2.000 4.696 2.069 211 HH11 ARG 23 HH11 ARG 23 3.361 1.477 2.314 212 HH12 ARG 23 HH12 ARG 23 5.010 2.033 2.391 213 HH21 ARG 23 HH22 ARG 23 4.182 5.424 2.156 214 HH22 ARG 23 HH21 ARG 23 5.476 4.264 2.283 215 H VAL 24 H VAL 24 -3.822 2.702 3.482 216 HA VAL 24 HA VAL 24 -5.316 0.309 2.981 217 HB VAL 24 HB VAL 24 -5.574 2.407 5.150 218 HG11 VAL 24 HG11 VAL 24 -6.961 0.792 6.357 219 HG12 VAL 24 HG12 VAL 24 -6.909 -0.293 4.967 220 HG13 VAL 24 HG13 VAL 24 -7.712 1.272 4.833 221 HG21 VAL 24 HG21 VAL 24 -4.513 0.705 6.565 222 HG22 VAL 24 HG22 VAL 24 -3.479 1.173 5.214 223 HG23 VAL 24 HG23 VAL 24 -4.361 -0.354 5.163 224 H LYS 25 H LYS 25 -5.929 3.762 2.846 225 HA LYS 25 HA LYS 25 -8.665 3.780 2.356 226 HB2 LYS 25 HB3 LYS 25 -7.483 5.831 2.761 227 HB3 LYS 25 HB2 LYS 25 -6.462 5.585 1.354 228 HG2 LYS 25 HG3 LYS 25 -8.173 7.309 1.010 229 HG3 LYS 25 HG2 LYS 25 -8.323 5.964 -0.121 230 HD2 LYS 25 HD3 LYS 25 -10.148 5.038 1.163 231 HD3 LYS 25 HD2 LYS 25 -9.951 6.285 2.398 232 HE2 LYS 25 HE3 LYS 25 -10.643 7.992 0.898 233 HE3 LYS 25 HE2 LYS 25 -10.560 6.901 -0.484 234 HZ1 LYS 25 HZ1 LYS 25 -12.441 5.733 0.258 235 HZ2 LYS 25 HZ2 LYS 25 -12.838 7.375 0.404 236 HZ3 LYS 25 HZ3 LYS 25 -12.420 6.479 1.784 237 H PHE 26 H PHE 26 -5.970 3.469 0.046 238 HA PHE 26 HA PHE 26 -7.519 3.229 -2.277 239 HB2 PHE 26 HB3 PHE 26 -5.122 3.571 -2.424 240 HB3 PHE 26 HB2 PHE 26 -4.818 2.033 -1.621 241 HD1 PHE 26 HD2 PHE 26 -6.181 3.560 -4.706 242 HD2 PHE 26 HD1 PHE 26 -4.706 0.031 -2.840 243 HE1 PHE 26 HE2 PHE 26 -6.136 2.426 -6.890 244 HE2 PHE 26 HE1 PHE 26 -4.659 -1.108 -5.018 245 HZ PHE 26 HZ PHE 26 -5.377 0.087 -7.046 246 H MET 27 H MET 27 -6.332 0.751 -0.028 247 HA MET 27 HA MET 27 -7.350 -1.516 -1.294 248 HB2 MET 27 HB3 MET 27 -7.043 -0.919 1.649 249 HB3 MET 27 HB2 MET 27 -7.444 -2.507 1.006 250 HG2 MET 27 HG3 MET 27 -5.344 -2.561 -0.215 251 HG3 MET 27 HG2 MET 27 -4.942 -0.953 0.387 252 HE1 MET 27 HE1 MET 27 -2.590 -1.965 1.204 253 HE2 MET 27 HE2 MET 27 -3.070 -3.564 0.634 254 HE3 MET 27 HE3 MET 27 -2.457 -3.360 2.275 255 H GLN 28 H GLN 28 -8.951 0.643 1.045 256 HA GLN 28 HA GLN 28 -11.406 -0.730 1.074 257 HB2 GLN 28 HB3 GLN 28 -10.855 0.970 2.748 258 HB3 GLN 28 HB2 GLN 28 -10.883 2.218 1.505 259 HG2 GLN 28 HG3 GLN 28 -13.255 1.756 1.109 260 HG3 GLN 28 HG2 GLN 28 -13.221 0.533 2.375 261 HE21 GLN 28 HE22 GLN 28 -14.751 1.550 3.608 262 HE22 GLN 28 HE21 GLN 28 -14.423 3.011 4.480 263 H ASP 29 H ASP 29 -10.299 2.025 -0.865 264 HA ASP 29 HA ASP 29 -12.700 2.462 -2.231 265 HB2 ASP 29 HB3 ASP 29 -9.851 3.083 -2.989 266 HB3 ASP 29 HB2 ASP 29 -11.218 3.549 -3.993 267 H VAL 30 H VAL 30 -9.918 0.426 -3.101 268 HA VAL 30 HA VAL 30 -10.909 -0.200 -5.684 269 HB VAL 30 HB VAL 30 -8.509 -0.381 -4.976 270 HG11 VAL 30 HG11 VAL 30 -7.745 -2.474 -3.963 271 HG12 VAL 30 HG12 VAL 30 -9.423 -2.964 -3.722 272 HG13 VAL 30 HG13 VAL 30 -8.784 -1.555 -2.872 273 HG21 VAL 30 HG21 VAL 30 -8.035 -2.338 -6.373 274 HG22 VAL 30 HG22 VAL 30 -9.262 -1.291 -7.084 275 HG23 VAL 30 HG23 VAL 30 -9.736 -2.793 -6.292 276 H VAL 31 H VAL 31 -11.429 -1.623 -2.532 277 HA VAL 31 HA VAL 31 -12.678 -4.012 -3.530 278 HB VAL 31 HB VAL 31 -12.702 -2.758 -0.775 279 HG11 VAL 31 HG11 VAL 31 -14.700 -4.119 -1.063 280 HG12 VAL 31 HG12 VAL 31 -13.564 -4.907 0.032 281 HG13 VAL 31 HG13 VAL 31 -13.715 -5.467 -1.633 282 HG21 VAL 31 HG21 VAL 31 -10.511 -3.555 -1.513 283 HG22 VAL 31 HG22 VAL 31 -11.202 -5.141 -1.855 284 HG23 VAL 31 HG23 VAL 31 -11.146 -4.542 -0.197 285 H ASN 32 H ASN 32 -13.734 -0.811 -2.565 286 HA ASN 32 HA ASN 32 -16.539 -1.586 -2.640 287 HB2 ASN 32 HB3 ASN 32 -15.099 0.932 -1.857 288 HB3 ASN 32 HB2 ASN 32 -16.840 0.930 -2.120 289 HD21 ASN 32 HD22 ASN 32 -14.238 -0.195 -0.114 290 HD22 ASN 32 HD21 ASN 32 -15.227 -0.725 1.206 291 H SER 33 H SER 33 -14.275 -0.576 -4.872 292 HA SER 33 HA SER 33 -16.313 0.709 -6.546 293 HB2 SER 33 HB3 SER 33 -14.393 1.455 -7.952 294 HB3 SER 33 HB2 SER 33 -14.303 2.056 -6.297 295 HG SER 33 HG SER 33 -12.690 0.675 -5.857 296 H ASP 34 H ASP 34 -16.129 0.155 -8.916 297 HA ASP 34 HA ASP 34 -16.419 -2.695 -9.097 298 HB2 ASP 34 HB3 ASP 34 -16.711 -0.504 -11.156 299 HB3 ASP 34 HB2 ASP 34 -17.009 -2.209 -11.493 300 H THR 35 H THR 35 -13.754 -0.840 -9.135 301 HA THR 35 HA THR 35 -12.214 -1.782 -11.267 302 HB THR 35 HB THR 35 -11.171 -1.249 -8.479 303 HG1 THR 35 HG1 THR 35 -12.218 0.493 -10.423 304 HG21 THR 35 HG21 THR 35 -9.546 -2.175 -10.056 305 HG22 THR 35 HG22 THR 35 -9.166 -0.497 -9.673 306 HG23 THR 35 HG23 THR 35 -9.931 -0.899 -11.210 307 H PHE 36 H PHE 36 -12.561 -3.068 -7.953 308 HA PHE 36 HA PHE 36 -11.950 -5.735 -9.010 309 HB2 PHE 36 HB3 PHE 36 -10.566 -4.321 -6.767 310 HB3 PHE 36 HB2 PHE 36 -10.770 -6.067 -6.677 311 HD1 PHE 36 HD1 PHE 36 -9.611 -7.535 -8.206 312 HD2 PHE 36 HD2 PHE 36 -9.097 -3.318 -8.412 313 HE1 PHE 36 HE1 PHE 36 -7.619 -7.853 -9.613 314 HE2 PHE 36 HE2 PHE 36 -7.104 -3.627 -9.820 315 HZ PHE 36 HZ PHE 36 -6.363 -5.896 -10.425 316 H LYS 37 H LYS 37 -14.440 -4.328 -8.195 317 HA LYS 37 HA LYS 37 -15.359 -5.340 -5.727 318 HB2 LYS 37 HB3 LYS 37 -16.412 -3.509 -7.197 319 HB3 LYS 37 HB2 LYS 37 -17.154 -4.828 -8.094 320 HG2 LYS 37 HG3 LYS 37 -18.290 -5.589 -6.092 321 HG3 LYS 37 HG2 LYS 37 -17.492 -4.339 -5.140 322 HD2 LYS 37 HD3 LYS 37 -19.468 -3.278 -5.522 323 HD3 LYS 37 HD2 LYS 37 -18.609 -2.774 -6.976 324 HE2 LYS 37 HE3 LYS 37 -20.392 -5.199 -6.851 325 HE3 LYS 37 HE2 LYS 37 -20.960 -3.601 -7.325 326 HZ1 LYS 37 HZ1 LYS 37 -18.835 -5.154 -8.707 327 HZ2 LYS 37 HZ2 LYS 37 -19.404 -3.622 -9.168 328 HZ3 LYS 37 HZ3 LYS 37 -20.433 -4.970 -9.238 329 H GLY 38 H GLY 38 -14.719 -6.910 -8.662 330 HA2 GLY 38 HA3 GLY 38 -16.570 -9.107 -8.202 331 HA3 GLY 38 HA2 GLY 38 -15.427 -8.965 -9.530 332 H GLN 39 H GLN 39 -14.040 -8.289 -6.526 333 HA GLN 39 HA GLN 39 -13.006 -11.039 -6.296 334 HB2 GLN 39 HB3 GLN 39 -11.671 -8.412 -5.604 335 HB3 GLN 39 HB2 GLN 39 -11.001 -9.994 -5.235 336 HG2 GLN 39 HG3 GLN 39 -11.648 -9.056 -8.015 337 HG3 GLN 39 HG2 GLN 39 -10.062 -8.900 -7.262 338 HE21 GLN 39 HE22 GLN 39 -12.431 -11.128 -8.521 339 HE22 GLN 39 HE21 GLN 39 -11.360 -12.478 -8.669 340 HA PRO 40 HA PRO 40 -15.133 -10.883 -2.367 341 HB2 PRO 40 HB2 PRO 40 -13.684 -13.364 -1.769 342 HB3 PRO 40 HB3 PRO 40 -15.422 -13.092 -1.918 343 HG2 PRO 40 HG3 PRO 40 -14.020 -14.484 -3.758 344 HG3 PRO 40 HG2 PRO 40 -15.427 -13.494 -4.184 345 HD2 PRO 40 HD3 PRO 40 -12.512 -12.885 -4.496 346 HD3 PRO 40 HD2 PRO 40 -13.862 -12.538 -5.600 347 H ILE 41 H ILE 41 -12.026 -12.538 -1.957 348 HA ILE 41 HA ILE 41 -11.115 -10.361 -0.207 349 HB ILE 41 HB ILE 41 -10.805 -13.316 0.393 350 HG12 ILE 41 HG13 ILE 41 -13.110 -12.527 0.776 351 HG13 ILE 41 HG12 ILE 41 -12.303 -12.932 2.285 352 HG21 ILE 41 HG21 ILE 41 -8.906 -11.982 1.142 353 HG22 ILE 41 HG22 ILE 41 -9.844 -12.578 2.514 354 HG23 ILE 41 HG23 ILE 41 -9.999 -10.896 2.001 355 HD11 ILE 41 HD11 ILE 41 -13.613 -10.910 2.512 356 HD12 ILE 41 HD12 ILE 41 -12.722 -10.161 1.188 357 HD13 ILE 41 HD13 ILE 41 -11.895 -10.557 2.695 358 H PHE 42 H PHE 42 -8.823 -10.097 -0.171 359 HA PHE 42 HA PHE 42 -7.573 -11.130 -2.599 360 HB2 PHE 42 HB3 PHE 42 -6.885 -8.818 -0.788 361 HB3 PHE 42 HB2 PHE 42 -5.821 -9.366 -2.078 362 HD1 PHE 42 HD1 PHE 42 -6.590 -9.252 -4.436 363 HD2 PHE 42 HD2 PHE 42 -8.777 -7.476 -1.247 364 HE1 PHE 42 HE1 PHE 42 -7.810 -7.861 -6.055 365 HE2 PHE 42 HE2 PHE 42 -10.004 -6.083 -2.863 366 HZ PHE 42 HZ PHE 42 -9.520 -6.275 -5.269 367 H ASP 43 H ASP 43 -4.947 -10.945 -2.067 368 HA ASP 43 HA ASP 43 -4.437 -12.784 0.153 369 HB2 ASP 43 HB3 ASP 43 -2.902 -14.065 -1.417 370 HB3 ASP 43 HB2 ASP 43 -4.628 -14.270 -1.699 371 H HIS 44 H HIS 44 -1.794 -13.212 -0.126 372 HA HIS 44 HA HIS 44 -0.752 -10.614 0.598 373 HB2 HIS 44 HB3 HIS 44 0.544 -13.346 0.574 374 HB3 HIS 44 HB2 HIS 44 1.316 -11.883 1.172 375 HD1 HIS 44 HD1 HIS 44 0.129 -14.689 2.624 376 HD2 HIS 44 HD2 HIS 44 -1.011 -10.715 3.092 377 HE1 HIS 44 HE1 HIS 44 -0.973 -14.558 4.879 378 HE2 HIS 44 HE2 HIS 44 -1.834 -12.194 5.055 379 H ALA 45 H ALA 45 -0.716 -12.680 -2.153 380 HA ALA 45 HA ALA 45 1.592 -11.621 -3.437 381 HB1 ALA 45 HB1 ALA 45 -0.857 -12.902 -4.650 382 HB2 ALA 45 HB2 ALA 45 0.594 -13.751 -4.116 383 HB3 ALA 45 HB3 ALA 45 0.679 -12.624 -5.471 384 H HIS 46 H HIS 46 -1.848 -10.840 -3.509 385 HA HIS 46 HA HIS 46 -1.594 -8.661 -5.315 386 HB2 HIS 46 HB3 HIS 46 -3.728 -9.479 -3.360 387 HB3 HIS 46 HB2 HIS 46 -3.844 -7.968 -4.257 388 HD1 HIS 46 HD1 HIS 46 -3.809 -11.709 -4.775 389 HD2 HIS 46 HD2 HIS 46 -4.601 -8.215 -6.900 390 HE1 HIS 46 HE1 HIS 46 -4.867 -12.446 -6.937 391 HE2 HIS 46 HE2 HIS 46 -5.173 -10.332 -8.275 392 H THR 47 H THR 47 -1.141 -8.995 -1.864 393 HA THR 47 HA THR 47 -0.979 -6.276 -1.176 394 HB THR 47 HB THR 47 0.699 -8.572 -0.133 395 HG1 THR 47 HG1 THR 47 -1.898 -7.874 0.236 396 HG21 THR 47 HG21 THR 47 1.001 -7.107 1.858 397 HG22 THR 47 HG22 THR 47 0.244 -5.791 0.958 398 HG23 THR 47 HG23 THR 47 1.773 -6.479 0.400 399 H ARG 48 H ARG 48 1.565 -8.527 -2.209 400 HA ARG 48 HA ARG 48 3.661 -6.761 -2.542 401 HB2 ARG 48 HB3 ARG 48 4.171 -9.036 -2.752 402 HB3 ARG 48 HB2 ARG 48 2.881 -9.316 -3.911 403 HG2 ARG 48 HG3 ARG 48 4.116 -8.197 -5.637 404 HG3 ARG 48 HG2 ARG 48 5.368 -7.724 -4.488 405 HD2 ARG 48 HD3 ARG 48 5.886 -9.717 -5.958 406 HD3 ARG 48 HD2 ARG 48 6.109 -9.943 -4.226 407 HE ARG 48 HE ARG 48 4.055 -11.215 -4.189 408 HH11 ARG 48 HH11 ARG 48 5.319 -10.479 -7.373 409 HH12 ARG 48 HH12 ARG 48 4.558 -11.854 -8.129 410 HH21 ARG 48 HH22 ARG 48 3.082 -13.038 -5.185 411 HH22 ARG 48 HH21 ARG 48 3.314 -13.313 -6.883 412 H GLU 49 H GLU 49 1.153 -7.671 -4.858 413 HA GLU 49 HA GLU 49 2.031 -6.171 -7.036 414 HB2 GLU 49 HB3 GLU 49 0.363 -7.906 -7.243 415 HB3 GLU 49 HB2 GLU 49 -0.749 -7.014 -6.215 416 HG2 GLU 49 HG3 GLU 49 -0.983 -5.298 -7.892 417 HG3 GLU 49 HG2 GLU 49 0.221 -6.089 -8.909 418 H PHE 50 H PHE 50 -0.488 -5.292 -4.646 419 HA PHE 50 HA PHE 50 -0.902 -2.724 -5.755 420 HB2 PHE 50 HB3 PHE 50 -1.671 -3.942 -3.116 421 HB3 PHE 50 HB2 PHE 50 -2.045 -2.268 -3.508 422 HD1 PHE 50 HD1 PHE 50 -2.818 -2.372 -6.287 423 HD2 PHE 50 HD2 PHE 50 -3.658 -5.120 -3.150 424 HE1 PHE 50 HE1 PHE 50 -4.860 -3.078 -7.461 425 HE2 PHE 50 HE2 PHE 50 -5.702 -5.835 -4.321 426 HZ PHE 50 HZ PHE 50 -6.304 -4.809 -6.479 427 H ILE 51 H ILE 51 0.994 -3.776 -2.918 428 HA ILE 51 HA ILE 51 1.721 -1.182 -2.104 429 HB ILE 51 HB ILE 51 3.196 -3.785 -1.676 430 HG12 ILE 51 HG13 ILE 51 0.944 -3.781 -0.724 431 HG13 ILE 51 HG12 ILE 51 2.146 -3.711 0.558 432 HG21 ILE 51 HG21 ILE 51 3.557 -1.125 -0.301 433 HG22 ILE 51 HG22 ILE 51 4.717 -1.920 -1.367 434 HG23 ILE 51 HG23 ILE 51 4.311 -2.641 0.192 435 HD11 ILE 51 HD11 ILE 51 0.270 -2.237 1.012 436 HD12 ILE 51 HD12 ILE 51 0.564 -1.379 -0.501 437 HD13 ILE 51 HD13 ILE 51 1.760 -1.317 0.795 438 H GLN 52 H GLN 52 3.218 -3.455 -4.349 439 HA GLN 52 HA GLN 52 5.558 -2.004 -4.905 440 HB2 GLN 52 HB3 GLN 52 5.329 -4.318 -5.571 441 HB3 GLN 52 HB2 GLN 52 3.976 -3.925 -6.620 442 HG2 GLN 52 HG3 GLN 52 5.968 -4.295 -7.921 443 HG3 GLN 52 HG2 GLN 52 5.467 -2.610 -8.044 444 HE21 GLN 52 HE22 GLN 52 7.483 -1.912 -8.638 445 HE22 GLN 52 HE21 GLN 52 8.815 -1.848 -7.533 446 H SER 53 H SER 53 2.331 -1.896 -6.403 447 HA SER 53 HA SER 53 3.036 -0.171 -8.499 448 HB2 SER 53 HB3 SER 53 0.671 0.229 -8.813 449 HB3 SER 53 HB2 SER 53 0.913 -1.470 -8.422 450 HG SER 53 HG SER 53 0.419 -0.785 -6.179 451 H PHE 54 H PHE 54 1.997 0.505 -5.182 452 HA PHE 54 HA PHE 54 1.755 3.286 -5.370 453 HB2 PHE 54 HB3 PHE 54 2.641 1.524 -3.083 454 HB3 PHE 54 HB2 PHE 54 2.465 3.265 -2.918 455 HD1 PHE 54 HD1 PHE 54 0.100 4.138 -3.881 456 HD2 PHE 54 HD2 PHE 54 0.901 0.251 -2.348 457 HE1 PHE 54 HE1 PHE 54 -2.287 3.858 -3.353 458 HE2 PHE 54 HE2 PHE 54 -1.484 -0.038 -1.823 459 HZ PHE 54 HZ PHE 54 -3.081 1.767 -2.325 460 H ILE 55 H ILE 55 4.572 1.274 -4.664 461 HA ILE 55 HA ILE 55 6.434 3.320 -4.248 462 HB ILE 55 HB ILE 55 6.930 0.560 -5.385 463 HG12 ILE 55 HG13 ILE 55 7.043 1.500 -2.509 464 HG13 ILE 55 HG12 ILE 55 5.685 0.626 -3.210 465 HG21 ILE 55 HG21 ILE 55 8.797 2.482 -3.996 466 HG22 ILE 55 HG22 ILE 55 8.839 2.031 -5.700 467 HG23 ILE 55 HG23 ILE 55 9.191 0.827 -4.461 468 HD11 ILE 55 HD11 ILE 55 7.116 -0.854 -1.938 469 HD12 ILE 55 HD12 ILE 55 8.498 -0.403 -2.936 470 HD13 ILE 55 HD13 ILE 55 7.144 -1.280 -3.649 471 H GLU 56 H GLU 56 5.398 1.705 -7.218 472 HA GLU 56 HA GLU 56 7.342 3.051 -8.845 473 HB2 GLU 56 HB3 GLU 56 4.939 1.366 -9.527 474 HB3 GLU 56 HB2 GLU 56 6.004 2.063 -10.741 475 HG2 GLU 56 HG3 GLU 56 7.897 0.845 -9.745 476 HG3 GLU 56 HG2 GLU 56 6.786 0.105 -8.594 477 H ARG 57 H ARG 57 4.316 3.970 -7.570 478 HA ARG 57 HA ARG 57 3.709 5.811 -9.719 479 HB2 ARG 57 HB3 ARG 57 2.444 5.461 -6.998 480 HB3 ARG 57 HB2 ARG 57 1.898 6.628 -8.195 481 HG2 ARG 57 HG3 ARG 57 1.555 4.706 -9.770 482 HG3 ARG 57 HG2 ARG 57 1.872 3.629 -8.410 483 HD2 ARG 57 HD3 ARG 57 -0.478 3.829 -8.567 484 HD3 ARG 57 HD2 ARG 57 0.011 4.817 -7.191 485 HE ARG 57 HE ARG 57 -0.028 6.517 -9.372 486 HH11 ARG 57 HH11 ARG 57 -2.329 4.522 -7.646 487 HH12 ARG 57 HH12 ARG 57 -3.697 5.511 -8.052 488 HH21 ARG 57 HH22 ARG 57 -1.810 7.806 -9.932 489 HH22 ARG 57 HH21 ARG 57 -3.406 7.369 -9.395 490 H ASP 58 H ASP 58 5.782 5.807 -7.059 491 HA ASP 58 HA ASP 58 5.900 8.587 -6.511 492 HB2 ASP 58 HB3 ASP 58 7.027 6.969 -5.057 493 HB3 ASP 58 HB2 ASP 58 8.078 6.481 -6.384 494 H ASP 59 H ASP 59 6.911 6.612 -9.117 495 HA ASP 59 HA ASP 59 8.890 8.302 -10.232 496 HB2 ASP 59 HB3 ASP 59 8.538 5.851 -10.762 497 HB3 ASP 59 HB2 ASP 59 7.157 6.340 -11.740 498 H THR 60 H THR 60 5.509 8.574 -10.037 499 HA THR 60 HA THR 60 5.008 10.024 -12.408 500 HB THR 60 HB THR 60 3.542 10.167 -9.767 501 HG1 THR 60 HG1 THR 60 3.281 8.486 -12.056 502 HG21 THR 60 HG21 THR 60 3.004 12.046 -11.251 503 HG22 THR 60 HG22 THR 60 1.640 10.939 -11.108 504 HG23 THR 60 HG23 THR 60 2.646 10.915 -12.556 505 H GLU 61 H GLU 61 6.077 10.988 -9.177 506 HA GLU 61 HA GLU 61 6.126 13.785 -9.913 507 HB2 GLU 61 HB3 GLU 61 7.155 12.326 -7.478 508 HB3 GLU 61 HB2 GLU 61 7.336 14.059 -7.715 509 HG2 GLU 61 HG3 GLU 61 4.782 14.068 -8.011 510 HG3 GLU 61 HG2 GLU 61 4.843 12.473 -7.259 511 H LEU 62 H LEU 62 8.312 11.083 -9.774 512 HA LEU 62 HA LEU 62 10.715 12.507 -10.265 513 HB2 LEU 62 HB3 LEU 62 10.515 10.139 -9.447 514 HB3 LEU 62 HB2 LEU 62 10.033 9.677 -11.066 515 HG LEU 62 HG LEU 62 12.235 10.453 -11.910 516 HD11 LEU 62 HD11 LEU 62 12.822 10.838 -8.980 517 HD12 LEU 62 HD12 LEU 62 12.769 12.091 -10.220 518 HD13 LEU 62 HD13 LEU 62 14.025 10.855 -10.267 519 HD21 LEU 62 HD21 LEU 62 12.292 8.394 -9.708 520 HD22 LEU 62 HD22 LEU 62 13.531 8.591 -10.950 521 HD23 LEU 62 HD23 LEU 62 11.895 8.112 -11.403 522 H ASP 63 H ASP 63 8.076 11.450 -12.216 523 HA ASP 63 HA ASP 63 9.254 11.553 -14.774 524 HB2 ASP 63 HB3 ASP 63 6.964 10.596 -14.015 525 HB3 ASP 63 HB2 ASP 63 6.375 12.240 -14.230 526 H GLU 64 H GLU 64 7.926 13.980 -12.648 527 HA GLU 64 HA GLU 64 7.763 16.100 -14.511 528 HB2 GLU 64 HB3 GLU 64 8.182 16.158 -11.516 529 HB3 GLU 64 HB2 GLU 64 7.795 17.563 -12.502 530 HG2 GLU 64 HG3 GLU 64 6.074 15.138 -12.047 531 HG3 GLU 64 HG2 GLU 64 5.800 16.773 -11.442 532 H LEU 65 H LEU 65 10.363 14.694 -12.699 533 HA LEU 65 HA LEU 65 12.248 16.784 -13.321 534 HB2 LEU 65 HB3 LEU 65 12.754 13.968 -12.345 535 HB3 LEU 65 HB2 LEU 65 13.911 15.286 -12.349 536 HG LEU 65 HG LEU 65 11.386 15.176 -10.691 537 HD11 LEU 65 HD11 LEU 65 12.907 14.947 -8.794 538 HD12 LEU 65 HD12 LEU 65 14.279 14.880 -9.901 539 HD13 LEU 65 HD13 LEU 65 13.068 13.598 -9.919 540 HD21 LEU 65 HD21 LEU 65 11.985 17.455 -11.333 541 HD22 LEU 65 HD22 LEU 65 13.621 17.198 -10.728 542 HD23 LEU 65 HD23 LEU 65 12.255 17.182 -9.612 543 H LYS 66 H LYS 66 11.317 13.641 -14.560 544 HA LYS 66 HA LYS 66 13.315 13.332 -16.517 545 HB2 LYS 66 HB3 LYS 66 10.461 12.338 -16.480 546 HB3 LYS 66 HB2 LYS 66 11.685 11.807 -17.623 547 HG2 LYS 66 HG3 LYS 66 12.995 10.848 -15.836 548 HG3 LYS 66 HG2 LYS 66 11.852 11.461 -14.637 549 HD2 LYS 66 HD3 LYS 66 10.099 10.058 -15.535 550 HD3 LYS 66 HD2 LYS 66 11.159 9.517 -16.837 551 HE2 LYS 66 HE3 LYS 66 12.646 8.482 -15.196 552 HE3 LYS 66 HE2 LYS 66 11.589 9.025 -13.893 553 HZ1 LYS 66 HZ1 LYS 66 11.305 6.659 -14.672 554 HZ2 LYS 66 HZ2 LYS 66 10.627 7.289 -16.092 555 HZ3 LYS 66 HZ3 LYS 66 9.887 7.583 -14.588 556 H LYS 67 H LYS 67 10.230 15.037 -16.528 557 HA LYS 67 HA LYS 67 10.149 15.612 -19.293 558 HB2 LYS 67 HB3 LYS 67 8.940 17.070 -16.940 559 HB3 LYS 67 HB2 LYS 67 8.621 17.497 -18.614 560 HG2 LYS 67 HG3 LYS 67 7.725 15.206 -18.966 561 HG3 LYS 67 HG2 LYS 67 7.927 14.913 -17.237 562 HD2 LYS 67 HD3 LYS 67 6.428 16.794 -16.752 563 HD3 LYS 67 HD2 LYS 67 6.215 17.065 -18.483 564 HE2 LYS 67 HE3 LYS 67 4.324 15.840 -17.679 565 HE3 LYS 67 HE2 LYS 67 5.303 14.755 -18.662 566 HZ1 LYS 67 HZ1 LYS 67 5.393 14.876 -15.695 567 HZ2 LYS 67 HZ2 LYS 67 6.197 13.756 -16.688 568 HZ3 LYS 67 HZ3 LYS 67 4.506 13.736 -16.582 569 H LYS 68 H LYS 68 12.020 16.896 -16.720 570 HA LYS 68 HA LYS 68 12.611 19.358 -18.135 571 HB2 LYS 68 HB3 LYS 68 13.542 18.303 -15.462 572 HB3 LYS 68 HB2 LYS 68 14.018 19.861 -16.133 573 HG2 LYS 68 HG3 LYS 68 11.642 20.519 -16.207 574 HG3 LYS 68 HG2 LYS 68 11.220 18.987 -15.442 575 HD2 LYS 68 HD3 LYS 68 12.479 19.587 -13.468 576 HD3 LYS 68 HD2 LYS 68 13.040 21.073 -14.242 577 HE2 LYS 68 HE3 LYS 68 11.224 21.599 -12.747 578 HE3 LYS 68 HE2 LYS 68 10.689 21.824 -14.411 579 HZ1 LYS 68 HZ1 LYS 68 8.967 20.705 -13.274 580 HZ2 LYS 68 HZ2 LYS 68 10.033 19.584 -12.583 581 HZ3 LYS 68 HZ3 LYS 68 9.712 19.535 -14.245 582 H ARG 69 H ARG 69 13.520 16.399 -18.746 583 HA ARG 69 HA ARG 69 16.343 16.534 -18.930 584 HB2 ARG 69 HB3 ARG 69 15.188 14.414 -19.188 585 HB3 ARG 69 HB2 ARG 69 14.328 15.012 -20.601 586 HG2 ARG 69 HG3 ARG 69 16.735 15.352 -21.557 587 HG3 ARG 69 HG2 ARG 69 17.175 14.172 -20.323 588 HD2 ARG 69 HD3 ARG 69 15.059 13.776 -22.435 589 HD3 ARG 69 HD2 ARG 69 16.700 13.145 -22.518 590 HE ARG 69 HE ARG 69 16.115 11.851 -20.465 591 HH11 ARG 69 HH11 ARG 69 13.624 12.946 -22.665 592 HH12 ARG 69 HH12 ARG 69 12.514 11.668 -22.255 593 HH21 ARG 69 HH22 ARG 69 14.690 10.158 -19.938 594 HH22 ARG 69 HH21 ARG 69 13.133 10.069 -20.706 595 H ARG 70 H ARG 70 13.788 18.015 -20.695 596 HA ARG 70 HA ARG 70 15.367 18.558 -23.050 597 HB2 ARG 70 HB3 ARG 70 12.660 19.609 -22.208 598 HB3 ARG 70 HB2 ARG 70 13.433 19.973 -23.742 599 HG2 ARG 70 HG3 ARG 70 11.947 18.270 -24.262 600 HG3 ARG 70 HG2 ARG 70 13.489 17.429 -24.089 601 HD2 ARG 70 HD3 ARG 70 12.845 16.920 -21.728 602 HD3 ARG 70 HD2 ARG 70 11.252 17.587 -22.078 603 HE ARG 70 HE ARG 70 12.249 15.391 -23.742 604 HH11 ARG 70 HH11 ARG 70 10.004 16.590 -21.328 605 HH12 ARG 70 HH12 ARG 70 9.020 15.156 -21.357 606 HH21 ARG 70 HH22 ARG 70 10.932 13.514 -23.777 607 HH22 ARG 70 HH21 ARG 70 9.555 13.412 -22.724 608 H SER 71 H SER 71 15.560 19.668 -20.043 609 HA SER 71 HA SER 71 16.256 22.407 -20.743 610 HB2 SER 71 HB3 SER 71 16.372 20.917 -18.103 611 HB3 SER 71 HB2 SER 71 16.757 22.624 -18.317 612 HG SER 71 HG SER 71 14.632 23.011 -18.919 613 H ASN 72 H ASN 72 18.500 22.716 -19.053 614 HA ASN 72 HA ASN 72 20.479 21.497 -20.782 615 HB2 ASN 72 HB3 ASN 72 20.738 23.562 -18.594 616 HB3 ASN 72 HB2 ASN 72 22.099 22.946 -19.523 617 HD21 ASN 72 HD22 ASN 72 22.681 24.730 -20.587 618 HD22 ASN 72 HD21 ASN 72 21.671 25.581 -21.707 619 H ARG 73 H ARG 73 19.279 21.090 -17.556 620 HA ARG 73 HA ARG 73 21.042 18.852 -17.127 621 HB2 ARG 73 HB3 ARG 73 22.495 20.670 -16.464 622 HB3 ARG 73 HB2 ARG 73 21.242 21.346 -15.437 623 HG2 ARG 73 HG3 ARG 73 21.424 19.541 -13.896 624 HG3 ARG 73 HG2 ARG 73 22.487 18.647 -14.986 625 HD2 ARG 73 HD3 ARG 73 23.134 21.322 -13.754 626 HD3 ARG 73 HD2 ARG 73 23.704 19.769 -13.143 627 HE ARG 73 HE ARG 73 24.809 19.505 -15.368 628 HH11 ARG 73 HH11 ARG 73 24.063 22.711 -14.142 629 HH12 ARG 73 HH12 ARG 73 25.348 23.477 -15.034 630 HH21 ARG 73 HH22 ARG 73 26.487 20.518 -16.521 631 HH22 ARG 73 HH21 ARG 73 26.752 22.225 -16.357 632 HA PRO 74 HA PRO 74 17.243 17.695 -14.925 633 HB2 PRO 74 HB2 PRO 74 18.926 15.299 -14.452 634 HB3 PRO 74 HB3 PRO 74 17.283 15.408 -15.090 635 HG2 PRO 74 HG3 PRO 74 19.346 14.831 -16.684 636 HG3 PRO 74 HG2 PRO 74 18.004 15.847 -17.243 637 HD2 PRO 74 HD3 PRO 74 20.751 16.642 -16.370 638 HD3 PRO 74 HD2 PRO 74 19.746 17.295 -17.682 639 HA PRO 75 HA PRO 75 18.624 18.792 -10.857 640 HB2 PRO 75 HB2 PRO 75 16.350 17.222 -9.837 641 HB3 PRO 75 HB3 PRO 75 16.684 18.952 -9.680 642 HG2 PRO 75 HG3 PRO 75 14.729 18.053 -11.279 643 HG3 PRO 75 HG2 PRO 75 15.710 19.466 -11.715 644 HD2 PRO 75 HD3 PRO 75 15.909 16.641 -12.699 645 HD3 PRO 75 HD2 PRO 75 16.050 18.163 -13.605 646 H SER 76 H SER 76 20.502 17.423 -10.823 647 HA SER 76 HA SER 76 20.493 14.696 -10.239 648 HB2 SER 76 HB3 SER 76 22.605 16.718 -9.451 649 HB3 SER 76 HB2 SER 76 22.836 14.980 -9.655 650 HG SER 76 HG SER 76 22.045 15.389 -11.894 651 H ASN 77 H ASN 77 20.291 17.489 -8.115 652 HA ASN 77 HA ASN 77 20.728 16.022 -5.702 653 HB2 ASN 77 HB3 ASN 77 21.157 18.447 -5.872 654 HB3 ASN 77 HB2 ASN 77 19.438 18.730 -6.120 655 HD21 ASN 77 HD22 ASN 77 19.228 20.016 -4.328 656 HD22 ASN 77 HD21 ASN 77 19.313 19.399 -2.711 657 H ARG 78 H ARG 78 17.849 17.318 -7.330 658 HA ARG 78 HA ARG 78 16.022 16.412 -5.351 659 HB2 ARG 78 HB3 ARG 78 15.528 17.183 -8.233 660 HB3 ARG 78 HB2 ARG 78 14.278 16.955 -7.018 661 HG2 ARG 78 HG3 ARG 78 16.470 19.013 -6.881 662 HG3 ARG 78 HG2 ARG 78 14.812 19.320 -7.403 663 HD2 ARG 78 HD3 ARG 78 13.968 18.731 -5.227 664 HD3 ARG 78 HD2 ARG 78 15.574 18.234 -4.695 665 HE ARG 78 HE ARG 78 15.498 20.961 -5.568 666 HH11 ARG 78 HH11 ARG 78 14.746 18.849 -2.873 667 HH12 ARG 78 HH12 ARG 78 15.001 20.070 -1.665 668 HH21 ARG 78 HH22 ARG 78 15.858 22.574 -3.988 669 HH22 ARG 78 HH21 ARG 78 15.659 22.193 -2.303 670 H GLN 79 H GLN 79 16.985 15.121 -8.506 671 HA GLN 79 HA GLN 79 15.103 13.061 -8.695 672 HB2 GLN 79 HB3 GLN 79 16.511 13.854 -10.554 673 HB3 GLN 79 HB2 GLN 79 17.925 13.162 -9.778 674 HG2 GLN 79 HG3 GLN 79 16.896 10.927 -9.989 675 HG3 GLN 79 HG2 GLN 79 15.559 11.667 -10.869 676 HE21 GLN 79 HE22 GLN 79 17.537 9.662 -11.707 677 HE22 GLN 79 HE21 GLN 79 18.292 10.326 -13.118 678 H VAL 80 H VAL 80 18.400 13.017 -7.388 679 HA VAL 80 HA VAL 80 18.346 10.244 -6.738 680 HB VAL 80 HB VAL 80 20.127 12.441 -5.668 681 HG11 VAL 80 HG11 VAL 80 20.076 10.551 -4.128 682 HG12 VAL 80 HG12 VAL 80 21.628 10.633 -4.961 683 HG13 VAL 80 HG13 VAL 80 20.425 9.443 -5.457 684 HG21 VAL 80 HG21 VAL 80 20.558 10.393 -7.840 685 HG22 VAL 80 HG22 VAL 80 21.773 11.525 -7.246 686 HG23 VAL 80 HG23 VAL 80 20.333 12.127 -8.069 687 H LEU 81 H LEU 81 17.872 13.190 -4.832 688 HA LEU 81 HA LEU 81 17.529 12.003 -2.326 689 HB2 LEU 81 HB3 LEU 81 17.865 14.442 -2.839 690 HB3 LEU 81 HB2 LEU 81 16.186 14.512 -3.334 691 HG LEU 81 HG LEU 81 15.508 13.875 -1.039 692 HD11 LEU 81 HD11 LEU 81 17.521 12.665 -0.385 693 HD12 LEU 81 HD12 LEU 81 17.166 13.962 0.755 694 HD13 LEU 81 HD13 LEU 81 18.449 14.163 -0.438 695 HD21 LEU 81 HD21 LEU 81 16.062 16.024 -0.007 696 HD22 LEU 81 HD22 LEU 81 15.597 16.218 -1.697 697 HD23 LEU 81 HD23 LEU 81 17.296 16.294 -1.237 698 H LEU 82 H LEU 82 15.282 12.544 -4.965 699 HA LEU 82 HA LEU 82 12.930 11.852 -3.520 700 HB2 LEU 82 HB3 LEU 82 12.791 13.212 -5.512 701 HB3 LEU 82 HB2 LEU 82 13.516 11.944 -6.480 702 HG LEU 82 HG LEU 82 11.539 10.548 -6.179 703 HD11 LEU 82 HD11 LEU 82 10.452 12.872 -4.595 704 HD12 LEU 82 HD12 LEU 82 10.855 11.274 -3.966 705 HD13 LEU 82 HD13 LEU 82 9.524 11.463 -5.109 706 HD21 LEU 82 HD21 LEU 82 11.597 12.070 -8.070 707 HD22 LEU 82 HD22 LEU 82 10.880 13.345 -7.082 708 HD23 LEU 82 HD23 LEU 82 9.951 11.895 -7.461 709 H GLN 83 H GLN 83 14.993 10.036 -5.804 710 HA GLN 83 HA GLN 83 13.435 7.689 -5.746 711 HB2 GLN 83 HB3 GLN 83 15.079 8.134 -7.509 712 HB3 GLN 83 HB2 GLN 83 16.384 7.973 -6.340 713 HG2 GLN 83 HG3 GLN 83 15.841 5.650 -5.992 714 HG3 GLN 83 HG2 GLN 83 14.441 5.786 -7.052 715 HE21 GLN 83 HE22 GLN 83 16.781 4.046 -7.204 716 HE22 GLN 83 HE21 GLN 83 17.493 4.342 -8.749 717 H GLN 84 H GLN 84 15.911 8.889 -3.599 718 HA GLN 84 HA GLN 84 16.535 6.526 -2.233 719 HB2 GLN 84 HB3 GLN 84 16.452 9.389 -1.301 720 HB3 GLN 84 HB2 GLN 84 17.036 8.073 -0.293 721 HG2 GLN 84 HG3 GLN 84 18.779 7.586 -1.914 722 HG3 GLN 84 HG2 GLN 84 18.180 8.877 -2.957 723 HE21 GLN 84 HE22 GLN 84 20.788 8.511 -1.656 724 HE22 GLN 84 HE21 GLN 84 21.045 9.937 -0.709 725 H ARG 85 H ARG 85 13.717 8.555 -2.097 726 HA ARG 85 HA ARG 85 12.751 7.743 0.438 727 HB2 ARG 85 HB3 ARG 85 11.243 8.770 -1.970 728 HB3 ARG 85 HB2 ARG 85 10.577 8.619 -0.349 729 HG2 ARG 85 HG3 ARG 85 12.141 10.253 0.489 730 HG3 ARG 85 HG2 ARG 85 12.927 10.347 -1.089 731 HD2 ARG 85 HD3 ARG 85 10.871 11.203 -2.072 732 HD3 ARG 85 HD2 ARG 85 10.059 11.075 -0.512 733 HE ARG 85 HE ARG 85 12.325 12.660 -0.159 734 HH11 ARG 85 HH11 ARG 85 9.295 12.760 -1.895 735 HH12 ARG 85 HH12 ARG 85 9.154 14.489 -1.834 736 HH21 ARG 85 HH22 ARG 85 12.155 14.946 -0.054 737 HH22 ARG 85 HH21 ARG 85 10.789 15.731 -0.785 738 H ARG 86 H ARG 86 12.010 6.623 -2.861 739 HA ARG 86 HA ARG 86 10.194 4.617 -1.975 740 HB2 ARG 86 HB3 ARG 86 10.121 3.864 -4.242 741 HB3 ARG 86 HB2 ARG 86 10.210 5.619 -4.281 742 HG2 ARG 86 HG3 ARG 86 12.591 5.495 -4.784 743 HG3 ARG 86 HG2 ARG 86 12.513 3.732 -4.729 744 HD2 ARG 86 HD3 ARG 86 12.431 4.385 -7.017 745 HD3 ARG 86 HD2 ARG 86 10.820 3.833 -6.561 746 HE ARG 86 HE ARG 86 10.627 6.484 -6.167 747 HH11 ARG 86 HH11 ARG 86 11.847 4.604 -8.869 748 HH12 ARG 86 HH12 ARG 86 11.423 5.810 -10.049 749 HH21 ARG 86 HH22 ARG 86 10.093 8.056 -7.675 750 HH22 ARG 86 HH21 ARG 86 10.418 7.782 -9.366 751 H ASP 87 H ASP 87 13.636 4.755 -2.457 752 HA ASP 87 HA ASP 87 14.105 1.947 -2.421 753 HB2 ASP 87 HB3 ASP 87 15.792 3.441 -3.325 754 HB3 ASP 87 HB2 ASP 87 15.940 4.266 -1.775 755 H GLN 88 H GLN 88 14.142 4.475 0.055 756 HA GLN 88 HA GLN 88 14.805 2.824 2.240 757 HB2 GLN 88 HB3 GLN 88 14.877 5.278 2.344 758 HB3 GLN 88 HB2 GLN 88 13.128 5.342 2.177 759 HG2 GLN 88 HG3 GLN 88 12.868 4.197 4.305 760 HG3 GLN 88 HG2 GLN 88 14.620 4.088 4.469 761 HE21 GLN 88 HE22 GLN 88 12.653 5.360 6.187 762 HE22 GLN 88 HE21 GLN 88 13.121 7.026 6.303 763 H GLU 89 H GLU 89 11.706 3.766 0.823 764 HA GLU 89 HA GLU 89 9.953 2.427 2.513 765 HB2 GLU 89 HB3 GLU 89 9.306 3.975 0.675 766 HB3 GLU 89 HB2 GLU 89 9.748 2.739 -0.493 767 HG2 GLU 89 HG3 GLU 89 7.396 2.707 -0.286 768 HG3 GLU 89 HG2 GLU 89 8.007 1.269 0.530 769 H LEU 90 H LEU 90 11.595 1.246 -0.417 770 HA LEU 90 HA LEU 90 10.694 -1.382 -0.417 771 HB2 LEU 90 HB3 LEU 90 13.331 -0.207 -1.279 772 HB3 LEU 90 HB2 LEU 90 12.918 -1.891 -1.538 773 HG LEU 90 HG LEU 90 11.329 0.424 -2.647 774 HD11 LEU 90 HD11 LEU 90 12.368 -0.138 -4.791 775 HD12 LEU 90 HD12 LEU 90 13.387 -1.329 -3.984 776 HD13 LEU 90 HD13 LEU 90 13.569 0.385 -3.610 777 HD21 LEU 90 HD21 LEU 90 10.049 -1.633 -2.348 778 HD22 LEU 90 HD22 LEU 90 11.276 -2.533 -3.240 779 HD23 LEU 90 HD23 LEU 90 10.321 -1.297 -4.058 780 H LYS 91 H LYS 91 13.426 0.048 1.319 781 HA LYS 91 HA LYS 91 14.463 -2.377 2.325 782 HB2 LYS 91 HB3 LYS 91 14.756 0.492 3.162 783 HB3 LYS 91 HB2 LYS 91 15.497 -0.804 4.091 784 HG2 LYS 91 HG3 LYS 91 16.794 -1.490 2.184 785 HG3 LYS 91 HG2 LYS 91 15.979 -0.305 1.163 786 HD2 LYS 91 HD3 LYS 91 16.966 1.509 2.352 787 HD3 LYS 91 HD2 LYS 91 17.580 0.430 3.607 788 HE2 LYS 91 HE3 LYS 91 19.340 1.140 2.044 789 HE3 LYS 91 HE2 LYS 91 19.090 -0.604 2.022 790 HZ1 LYS 91 HZ1 LYS 91 18.042 1.332 0.018 791 HZ2 LYS 91 HZ2 LYS 91 17.768 -0.343 0.003 792 HZ3 LYS 91 HZ3 LYS 91 19.336 0.261 -0.209 793 H GLU 92 H GLU 92 12.227 -0.004 3.750 794 HA GLU 92 HA GLU 92 11.988 -1.404 6.213 795 HB2 GLU 92 HB3 GLU 92 11.470 1.016 5.934 796 HB3 GLU 92 HB2 GLU 92 10.040 0.571 5.010 797 HG2 GLU 92 HG3 GLU 92 9.077 -0.519 6.912 798 HG3 GLU 92 HG2 GLU 92 10.548 -0.278 7.850 799 H PHE 93 H PHE 93 10.094 -1.372 3.225 800 HA PHE 93 HA PHE 93 8.026 -3.066 4.122 801 HB2 PHE 93 HB3 PHE 93 7.859 -1.712 2.073 802 HB3 PHE 93 HB2 PHE 93 9.101 -2.701 1.314 803 HD1 PHE 93 HD2 PHE 93 5.961 -3.398 3.220 804 HD2 PHE 93 HD1 PHE 93 8.257 -4.088 -0.295 805 HE1 PHE 93 HE2 PHE 93 4.225 -4.933 2.393 806 HE2 PHE 93 HE1 PHE 93 6.524 -5.623 -1.129 807 HZ PHE 93 HZ PHE 93 4.504 -6.047 0.215 808 H LYS 94 H LYS 94 11.166 -3.721 2.651 809 HA LYS 94 HA LYS 94 10.804 -6.511 2.368 810 HB2 LYS 94 HB3 LYS 94 12.548 -5.290 1.152 811 HB3 LYS 94 HB2 LYS 94 13.368 -4.936 2.667 812 HG2 LYS 94 HG3 LYS 94 13.770 -7.308 3.024 813 HG3 LYS 94 HG2 LYS 94 12.915 -7.686 1.527 814 HD2 LYS 94 HD3 LYS 94 14.580 -6.480 0.241 815 HD3 LYS 94 HD2 LYS 94 15.408 -5.996 1.723 816 HE2 LYS 94 HE3 LYS 94 16.541 -7.874 0.666 817 HE3 LYS 94 HE2 LYS 94 15.876 -8.338 2.231 818 HZ1 LYS 94 HZ1 LYS 94 13.912 -9.210 0.930 819 HZ2 LYS 94 HZ2 LYS 94 15.357 -10.076 0.767 820 HZ3 LYS 94 HZ3 LYS 94 14.852 -9.025 -0.464 821 H ALA 95 H ALA 95 11.972 -4.496 5.000 822 HA ALA 95 HA ALA 95 12.838 -6.678 6.633 823 HB1 ALA 95 HB1 ALA 95 12.160 -3.847 7.426 824 HB2 ALA 95 HB2 ALA 95 13.743 -4.412 6.893 825 HB3 ALA 95 HB3 ALA 95 13.052 -5.017 8.399 826 H GLY 96 H GLY 96 9.834 -5.036 6.089 827 HA2 GLY 96 HA3 GLY 96 7.924 -6.621 6.680 828 HA3 GLY 96 HA2 GLY 96 8.589 -6.527 8.306 829 H PHE 97 H PHE 97 6.983 -4.751 5.755 830 HA PHE 97 HA PHE 97 6.736 -2.348 7.351 831 HB2 PHE 97 HB3 PHE 97 6.992 -2.322 4.848 832 HB3 PHE 97 HB2 PHE 97 5.382 -3.023 4.728 833 HD1 PHE 97 HD1 PHE 97 7.297 -0.026 5.599 834 HD2 PHE 97 HD2 PHE 97 3.417 -1.695 5.108 835 HE1 PHE 97 HE1 PHE 97 6.322 2.231 5.651 836 HE2 PHE 97 HE2 PHE 97 2.435 0.560 5.160 837 HZ PHE 97 HZ PHE 97 3.888 2.526 5.433 838 H LEU 98 H LEU 98 4.793 -1.510 8.168 839 HA LEU 98 HA LEU 98 2.964 -3.440 9.195 840 HB2 LEU 98 HB3 LEU 98 3.618 -1.337 10.357 841 HB3 LEU 98 HB2 LEU 98 2.722 -0.431 9.153 842 HG LEU 98 HG LEU 98 0.648 -1.624 9.885 843 HD11 LEU 98 HD11 LEU 98 1.719 -3.592 10.858 844 HD12 LEU 98 HD12 LEU 98 0.674 -2.784 12.027 845 HD13 LEU 98 HD13 LEU 98 2.424 -2.586 12.124 846 HD21 LEU 98 HD21 LEU 98 1.181 0.622 10.680 847 HD22 LEU 98 HD22 LEU 98 2.117 -0.064 12.008 848 HD23 LEU 98 HD23 LEU 98 0.375 -0.319 11.934 849 H CYS 99 H CYS 99 1.783 -4.465 7.661 850 HA CYS 99 HA CYS 99 -0.048 -2.794 6.075 851 HB2 CYS 99 HB3 CYS 99 1.304 -5.347 5.156 852 HB3 CYS 99 HB2 CYS 99 0.098 -4.447 4.244 853 HG CYS 99 HG CYS 99 2.590 -2.466 5.088 854 HA PRO 100 HA PRO 100 -3.136 -5.390 7.916 855 HB2 PRO 100 HB2 PRO 100 -5.198 -4.978 6.225 856 HB3 PRO 100 HB3 PRO 100 -4.629 -3.728 7.337 857 HG2 PRO 100 HG3 PRO 100 -4.109 -4.047 4.413 858 HG3 PRO 100 HG2 PRO 100 -4.423 -2.571 5.343 859 HD2 PRO 100 HD3 PRO 100 -1.923 -3.401 4.558 860 HD3 PRO 100 HD2 PRO 100 -2.229 -2.353 5.956 861 H ASP 101 H ASP 101 -3.792 -7.488 7.786 862 HA ASP 101 HA ASP 101 -2.887 -9.092 5.611 863 HB2 ASP 101 HB3 ASP 101 -2.993 -9.988 7.895 864 HB3 ASP 101 HB2 ASP 101 -4.746 -9.811 7.891 865 H LEU 102 H LEU 102 -3.832 -9.059 3.700 866 HA LEU 102 HA LEU 102 -6.571 -8.198 3.437 867 HB2 LEU 102 HB3 LEU 102 -4.500 -8.960 1.393 868 HB3 LEU 102 HB2 LEU 102 -6.127 -8.458 0.982 869 HG LEU 102 HG LEU 102 -3.902 -6.819 2.153 870 HD11 LEU 102 HD11 LEU 102 -5.715 -6.546 -0.236 871 HD12 LEU 102 HD12 LEU 102 -4.006 -6.987 -0.251 872 HD13 LEU 102 HD13 LEU 102 -4.494 -5.367 0.249 873 HD21 LEU 102 HD21 LEU 102 -5.878 -6.352 3.508 874 HD22 LEU 102 HD22 LEU 102 -6.826 -6.076 2.045 875 HD23 LEU 102 HD23 LEU 102 -5.498 -4.989 2.454 876 H SER 103 H SER 103 -5.297 -11.130 4.124 877 HA SER 103 HA SER 103 -7.074 -12.609 2.334 878 HB2 SER 103 HB3 SER 103 -4.873 -13.548 4.181 879 HB3 SER 103 HB2 SER 103 -5.870 -14.619 3.194 880 HG SER 103 HG SER 103 -5.123 -13.074 1.424 881 H ASP 104 H ASP 104 -7.263 -11.176 5.260 882 HA ASP 104 HA ASP 104 -9.015 -13.225 6.407 883 HB2 ASP 104 HB3 ASP 104 -7.258 -12.173 7.847 884 HB3 ASP 104 HB2 ASP 104 -8.087 -10.630 7.650 885 H ALA 105 H ALA 105 -11.097 -13.093 5.962 886 HA ALA 105 HA ALA 105 -12.210 -10.918 4.540 887 HB1 ALA 105 HB1 ALA 105 -14.313 -12.131 4.678 888 HB2 ALA 105 HB2 ALA 105 -13.641 -13.192 5.916 889 HB3 ALA 105 HB3 ALA 105 -12.991 -13.229 4.276 890 H LYS 106 H LYS 106 -11.962 -11.594 7.927 891 HA LYS 106 HA LYS 106 -14.109 -9.858 8.734 892 HB2 LYS 106 HB3 LYS 106 -11.769 -10.915 10.339 893 HB3 LYS 106 HB2 LYS 106 -13.212 -10.160 11.001 894 HG2 LYS 106 HG3 LYS 106 -14.578 -11.988 10.281 895 HG3 LYS 106 HG2 LYS 106 -13.231 -12.705 9.396 896 HD2 LYS 106 HD3 LYS 106 -12.022 -13.026 11.507 897 HD3 LYS 106 HD2 LYS 106 -13.384 -12.328 12.386 898 HE2 LYS 106 HE3 LYS 106 -14.823 -14.130 11.672 899 HE3 LYS 106 HE2 LYS 106 -13.544 -14.789 10.653 900 HZ1 LYS 106 HZ1 LYS 106 -13.441 -14.579 13.619 901 HZ2 LYS 106 HZ2 LYS 106 -12.241 -15.248 12.623 902 HZ3 LYS 106 HZ3 LYS 106 -13.756 -15.994 12.743 903 H ASN 107 H ASN 107 -10.568 -9.682 8.723 904 HA ASN 107 HA ASN 107 -10.371 -7.005 9.579 905 HB2 ASN 107 HB3 ASN 107 -8.453 -8.484 9.675 906 HB3 ASN 107 HB2 ASN 107 -8.466 -8.676 7.925 907 HD21 ASN 107 HD22 ASN 107 -7.445 -7.200 6.678 908 HD22 ASN 107 HD21 ASN 107 -6.625 -5.811 7.295 909 H MET 108 H MET 108 -10.629 -8.430 6.344 910 HA MET 108 HA MET 108 -10.332 -5.945 4.989 911 HB2 MET 108 HB3 MET 108 -9.880 -7.959 3.770 912 HB3 MET 108 HB2 MET 108 -11.494 -8.581 4.087 913 HG2 MET 108 HG3 MET 108 -12.486 -7.175 2.547 914 HG3 MET 108 HG2 MET 108 -11.159 -6.017 2.595 915 HE1 MET 108 HE1 MET 108 -8.426 -7.643 0.434 916 HE2 MET 108 HE2 MET 108 -8.592 -7.493 2.184 917 HE3 MET 108 HE3 MET 108 -9.020 -6.136 1.136 918 H GLU 109 H GLU 109 -13.027 -7.538 6.512 919 HA GLU 109 HA GLU 109 -15.053 -5.969 5.261 920 HB2 GLU 109 HB3 GLU 109 -15.431 -8.155 6.465 921 HB3 GLU 109 HB2 GLU 109 -15.196 -7.288 7.976 922 HG2 GLU 109 HG3 GLU 109 -17.141 -5.979 7.633 923 HG3 GLU 109 HG2 GLU 109 -17.295 -6.531 5.964 924 H PHE 110 H PHE 110 -13.183 -5.678 8.257 925 HA PHE 110 HA PHE 110 -14.249 -3.225 9.135 926 HB2 PHE 110 HB3 PHE 110 -11.681 -4.687 9.564 927 HB3 PHE 110 HB2 PHE 110 -11.756 -2.994 10.035 928 HD1 PHE 110 HD1 PHE 110 -13.665 -6.174 10.447 929 HD2 PHE 110 HD2 PHE 110 -12.447 -2.464 12.140 930 HE1 PHE 110 HE1 PHE 110 -14.721 -6.805 12.577 931 HE2 PHE 110 HE2 PHE 110 -13.503 -3.088 14.276 932 HZ PHE 110 HZ PHE 110 -14.642 -5.263 14.494 933 H LEU 111 H LEU 111 -11.500 -3.968 7.046 934 HA LEU 111 HA LEU 111 -10.721 -1.344 6.454 935 HB2 LEU 111 HB3 LEU 111 -9.335 -3.291 6.011 936 HB3 LEU 111 HB2 LEU 111 -10.494 -3.889 4.844 937 HG LEU 111 HG LEU 111 -9.400 -1.214 4.250 938 HD11 LEU 111 HD11 LEU 111 -7.412 -2.296 5.158 939 HD12 LEU 111 HD12 LEU 111 -7.288 -2.129 3.406 940 HD13 LEU 111 HD13 LEU 111 -7.685 -3.694 4.117 941 HD21 LEU 111 HD21 LEU 111 -9.286 -2.182 2.004 942 HD22 LEU 111 HD22 LEU 111 -10.887 -2.386 2.717 943 HD23 LEU 111 HD23 LEU 111 -9.768 -3.748 2.657 944 H ARG 112 H ARG 112 -13.218 -3.381 5.133 945 HA ARG 112 HA ARG 112 -13.858 -1.844 2.851 946 HB2 ARG 112 HB3 ARG 112 -14.578 -4.113 2.973 947 HB3 ARG 112 HB2 ARG 112 -15.397 -3.843 4.502 948 HG2 ARG 112 HG3 ARG 112 -17.053 -2.451 3.372 949 HG3 ARG 112 HG2 ARG 112 -16.226 -2.725 1.833 950 HD2 ARG 112 HD3 ARG 112 -16.713 -5.051 1.893 951 HD3 ARG 112 HD2 ARG 112 -17.272 -4.957 3.561 952 HE ARG 112 HE ARG 112 -18.953 -3.284 2.262 953 HH11 ARG 112 HH11 ARG 112 -17.949 -6.596 1.649 954 HH12 ARG 112 HH12 ARG 112 -19.488 -7.064 0.980 955 HH21 ARG 112 HH22 ARG 112 -20.972 -3.914 1.435 956 HH22 ARG 112 HH21 ARG 112 -21.214 -5.541 0.877 957 H ASN 113 H ASN 113 -14.820 -1.655 6.217 958 HA ASN 113 HA ASN 113 -16.689 0.530 5.577 959 HB2 ASN 113 HB3 ASN 113 -17.560 -1.482 6.809 960 HB3 ASN 113 HB2 ASN 113 -16.485 -1.074 8.139 961 HD21 ASN 113 HD22 ASN 113 -19.284 -0.027 6.299 962 HD22 ASN 113 HD21 ASN 113 -19.925 1.020 7.523 963 H TRP 114 H TRP 114 -13.688 0.544 5.877 964 HA TRP 114 HA TRP 114 -12.911 1.848 8.235 965 HB2 TRP 114 HB3 TRP 114 -11.388 0.761 6.588 966 HB3 TRP 114 HB2 TRP 114 -11.684 2.091 5.478 967 HD1 TRP 114 HD1 TRP 114 -10.250 1.598 9.055 968 HE1 TRP 114 HE1 TRP 114 -8.344 3.300 9.379 969 HE3 TRP 114 HE3 TRP 114 -10.581 4.057 4.581 970 HZ2 TRP 114 HZ2 TRP 114 -7.140 5.399 7.930 971 HZ3 TRP 114 HZ3 TRP 114 -9.011 5.896 4.129 972 HH2 TRP 114 HH2 TRP 114 -7.328 6.552 5.770 973 H ASN 115 H ASN 115 -12.510 4.026 8.683 974 HA ASN 115 HA ASN 115 -13.766 6.013 6.918 975 HB2 ASN 115 HB3 ASN 115 -14.211 5.677 9.890 976 HB3 ASN 115 HB2 ASN 115 -14.575 7.172 9.038 977 HD21 ASN 115 HD22 ASN 115 -16.305 5.338 10.496 978 HD22 ASN 115 HD21 ASN 115 -17.541 4.864 9.378 979 H GLY 116 H GLY 116 -13.247 8.308 8.064 980 HA2 GLY 116 HA3 GLY 116 -10.375 8.511 8.135 981 HA3 GLY 116 HA2 GLY 116 -11.525 9.825 8.355 982 H THR 117 H THR 117 -10.549 6.856 10.027 983 HA THR 117 HA THR 117 -10.435 8.367 12.549 984 HB THR 117 HB THR 117 -11.524 5.557 12.364 985 HG1 THR 117 HG1 THR 117 -13.205 7.796 12.738 986 HG21 THR 117 HG21 THR 117 -11.741 7.687 14.494 987 HG22 THR 117 HG22 THR 117 -10.688 6.274 14.553 988 HG23 THR 117 HG23 THR 117 -12.440 6.070 14.574 989 H PHE 118 H PHE 118 -8.370 8.268 13.191 990 HA PHE 118 HA PHE 118 -6.520 6.312 12.347 991 HB2 PHE 118 HB3 PHE 118 -5.849 8.547 13.118 992 HB3 PHE 118 HB2 PHE 118 -6.367 8.143 14.750 993 HD1 PHE 118 HD1 PHE 118 -4.033 7.051 12.071 994 HD2 PHE 118 HD2 PHE 118 -4.841 7.235 16.245 995 HE1 PHE 118 HE1 PHE 118 -1.787 6.165 12.541 996 HE2 PHE 118 HE2 PHE 118 -2.597 6.349 16.723 997 HZ PHE 118 HZ PHE 118 -1.065 5.814 14.869 998 H GLY 119 H GLY 119 -8.814 6.382 14.925 999 HA2 GLY 119 HA3 GLY 119 -7.700 4.408 16.608 1000 HA3 GLY 119 HA2 GLY 119 -9.402 4.837 16.515 1001 H LEU 120 H LEU 120 -9.256 4.180 13.535 1002 HA LEU 120 HA LEU 120 -10.042 1.434 13.826 1003 HB2 LEU 120 HB3 LEU 120 -9.857 3.266 11.447 1004 HB3 LEU 120 HB2 LEU 120 -10.329 1.582 11.308 1005 HG LEU 120 HG LEU 120 -11.785 3.689 12.911 1006 HD11 LEU 120 HD11 LEU 120 -12.490 2.313 10.323 1007 HD12 LEU 120 HD12 LEU 120 -12.048 4.009 10.519 1008 HD13 LEU 120 HD13 LEU 120 -13.543 3.399 11.227 1009 HD21 LEU 120 HD21 LEU 120 -12.489 0.807 12.373 1010 HD22 LEU 120 HD22 LEU 120 -13.475 1.974 13.253 1011 HD23 LEU 120 HD23 LEU 120 -11.923 1.452 13.912 1012 H LEU 121 H LEU 121 -7.130 3.022 13.259 1013 HA LEU 121 HA LEU 121 -5.857 0.879 11.811 1014 HB2 LEU 121 HB3 LEU 121 -4.844 3.364 13.176 1015 HB3 LEU 121 HB2 LEU 121 -3.741 2.156 12.553 1016 HG LEU 121 HG LEU 121 -3.972 4.000 10.986 1017 HD11 LEU 121 HD11 LEU 121 -3.561 1.793 10.069 1018 HD12 LEU 121 HD12 LEU 121 -4.589 2.728 8.983 1019 HD13 LEU 121 HD13 LEU 121 -5.293 1.476 10.004 1020 HD21 LEU 121 HD21 LEU 121 -6.893 3.272 10.827 1021 HD22 LEU 121 HD22 LEU 121 -6.061 4.492 9.863 1022 HD23 LEU 121 HD23 LEU 121 -6.237 4.711 11.603 1023 H ASN 122 H ASN 122 -6.925 1.327 14.907 1024 HA ASN 122 HA ASN 122 -4.950 -0.484 16.089 1025 HB2 ASN 122 HB3 ASN 122 -5.800 1.677 17.237 1026 HB3 ASN 122 HB2 ASN 122 -7.280 0.775 17.532 1027 HD21 ASN 122 HD22 ASN 122 -5.367 1.887 19.411 1028 HD22 ASN 122 HD21 ASN 122 -4.806 0.560 20.376 1029 H THR 123 H THR 123 -8.275 -0.233 15.055 1030 HA THR 123 HA THR 123 -9.112 -2.726 16.187 1031 HB THR 123 HB THR 123 -11.137 -2.424 14.760 1032 HG1 THR 123 HG1 THR 123 -10.458 -1.275 13.016 1033 HG21 THR 123 HG21 THR 123 -11.973 -0.449 15.935 1034 HG22 THR 123 HG22 THR 123 -10.323 0.009 16.357 1035 HG23 THR 123 HG23 THR 123 -11.027 -1.469 17.020 1036 H LEU 124 H LEU 124 -7.923 -1.620 13.073 1037 HA LEU 124 HA LEU 124 -8.303 -4.043 11.660 1038 HB2 LEU 124 HB3 LEU 124 -6.420 -1.734 11.246 1039 HB3 LEU 124 HB2 LEU 124 -6.499 -3.102 10.152 1040 HG LEU 124 HG LEU 124 -8.842 -1.302 10.772 1041 HD11 LEU 124 HD11 LEU 124 -7.078 -0.058 9.640 1042 HD12 LEU 124 HD12 LEU 124 -8.454 -0.332 8.570 1043 HD13 LEU 124 HD13 LEU 124 -6.991 -1.302 8.392 1044 HD21 LEU 124 HD21 LEU 124 -8.406 -3.402 8.649 1045 HD22 LEU 124 HD22 LEU 124 -9.824 -2.363 8.794 1046 HD23 LEU 124 HD23 LEU 124 -9.465 -3.546 10.053 1047 H ARG 125 H ARG 125 -7.002 -5.810 11.392 1048 HA ARG 125 HA ARG 125 -4.902 -6.137 13.366 1049 HB2 ARG 125 HB3 ARG 125 -5.749 -8.160 11.288 1050 HB3 ARG 125 HB2 ARG 125 -4.863 -8.455 12.779 1051 HG2 ARG 125 HG3 ARG 125 -7.050 -7.403 13.839 1052 HG3 ARG 125 HG2 ARG 125 -7.755 -8.010 12.342 1053 HD2 ARG 125 HD3 ARG 125 -6.327 -9.561 14.487 1054 HD3 ARG 125 HD2 ARG 125 -8.008 -9.711 13.983 1055 HE ARG 125 HE ARG 125 -5.693 -10.920 12.757 1056 HH11 ARG 125 HH11 ARG 125 -9.003 -9.892 12.189 1057 HH12 ARG 125 HH12 ARG 125 -9.284 -11.066 10.939 1058 HH21 ARG 125 HH22 ARG 125 -6.069 -12.472 11.161 1059 HH22 ARG 125 HH21 ARG 125 -7.623 -12.563 10.379 1060 H LEU 126 H LEU 126 -3.605 -4.505 12.475 1061 HA LEU 126 HA LEU 126 -2.409 -4.879 9.878 1062 HB2 LEU 126 HB3 LEU 126 -1.871 -2.888 12.084 1063 HB3 LEU 126 HB2 LEU 126 -1.145 -2.837 10.488 1064 HG LEU 126 HG LEU 126 -4.128 -2.776 10.820 1065 HD11 LEU 126 HD11 LEU 126 -2.263 -0.413 10.862 1066 HD12 LEU 126 HD12 LEU 126 -3.269 -0.977 12.198 1067 HD13 LEU 126 HD13 LEU 126 -4.022 -0.341 10.735 1068 HD21 LEU 126 HD21 LEU 126 -3.236 -3.212 8.596 1069 HD22 LEU 126 HD22 LEU 126 -2.257 -1.748 8.692 1070 HD23 LEU 126 HD23 LEU 126 -4.017 -1.632 8.665 1071 H ILE 127 H ILE 127 -0.674 -6.044 9.516 1072 HA ILE 127 HA ILE 127 0.978 -6.875 11.814 1073 HB ILE 127 HB ILE 127 1.358 -9.001 10.616 1074 HG12 ILE 127 HG13 ILE 127 -0.745 -7.966 8.693 1075 HG13 ILE 127 HG12 ILE 127 0.968 -8.138 8.328 1076 HG21 ILE 127 HG21 ILE 127 -0.399 -8.882 12.297 1077 HG22 ILE 127 HG22 ILE 127 -0.868 -9.973 10.992 1078 HG23 ILE 127 HG23 ILE 127 -1.557 -8.350 11.075 1079 HD11 ILE 127 HD11 ILE 127 -0.921 -10.381 8.996 1080 HD12 ILE 127 HD12 ILE 127 0.791 -10.548 8.610 1081 HD13 ILE 127 HD13 ILE 127 -0.335 -9.957 7.388 1082 H ARG 128 H ARG 128 3.127 -7.926 10.753 1083 HA ARG 128 HA ARG 128 4.179 -5.867 8.969 1084 HB2 ARG 128 HB3 ARG 128 5.543 -7.952 10.658 1085 HB3 ARG 128 HB2 ARG 128 6.399 -7.037 9.428 1086 HG2 ARG 128 HG3 ARG 128 5.508 -4.960 10.672 1087 HG3 ARG 128 HG2 ARG 128 5.212 -6.086 12.002 1088 HD2 ARG 128 HD3 ARG 128 7.576 -6.790 11.880 1089 HD3 ARG 128 HD2 ARG 128 7.847 -5.588 10.622 1090 HE ARG 128 HE ARG 128 7.136 -4.968 13.428 1091 HH11 ARG 128 HH11 ARG 128 8.566 -4.033 10.354 1092 HH12 ARG 128 HH12 ARG 128 9.364 -2.644 11.022 1093 HH21 ARG 128 HH22 ARG 128 8.176 -3.151 14.281 1094 HH22 ARG 128 HH21 ARG 128 9.141 -2.133 13.247 1095 H ILE 129 H ILE 129 4.456 -6.222 6.903 1096 HA ILE 129 HA ILE 129 4.580 -9.007 5.950 1097 HB ILE 129 HB ILE 129 3.468 -6.541 4.609 1098 HG12 ILE 129 HG13 ILE 129 2.277 -9.238 5.303 1099 HG13 ILE 129 HG12 ILE 129 1.958 -7.721 6.136 1100 HG21 ILE 129 HG21 ILE 129 4.833 -7.757 2.993 1101 HG22 ILE 129 HG22 ILE 129 3.115 -7.899 2.612 1102 HG23 ILE 129 HG23 ILE 129 3.964 -9.245 3.372 1103 HD11 ILE 129 HD11 ILE 129 0.926 -6.838 4.100 1104 HD12 ILE 129 HD12 ILE 129 0.129 -8.303 4.672 1105 HD13 ILE 129 HD13 ILE 129 1.227 -8.379 3.295 1106 H ASN 130 H ASN 130 6.430 -9.604 4.978 1107 HA ASN 130 HA ASN 130 8.449 -7.490 4.736 1108 HB2 ASN 130 HB3 ASN 130 10.146 -9.176 5.146 1109 HB3 ASN 130 HB2 ASN 130 8.946 -9.204 6.427 1110 HD21 ASN 130 HD22 ASN 130 9.372 -11.271 7.064 1111 HD22 ASN 130 HD21 ASN 130 8.996 -12.659 6.109 1112 H ASP 131 H ASP 131 10.239 -8.010 3.262 1113 HA ASP 131 HA ASP 131 11.011 -8.021 1.154 1114 HB2 ASP 131 HB3 ASP 131 11.012 -10.455 1.755 1115 HB3 ASP 131 HB2 ASP 131 9.503 -10.621 0.871 1116 H LYS 132 H LYS 132 8.200 -9.793 0.044 1117 HA LYS 132 HA LYS 132 6.923 -7.407 -0.978 1118 HB2 LYS 132 HB3 LYS 132 7.929 -9.585 -2.831 1119 HB3 LYS 132 HB2 LYS 132 6.824 -8.303 -3.301 1120 HG2 LYS 132 HG3 LYS 132 8.561 -6.643 -2.813 1121 HG3 LYS 132 HG2 LYS 132 9.667 -7.946 -2.371 1122 HD2 LYS 132 HD3 LYS 132 9.423 -8.869 -4.655 1123 HD3 LYS 132 HD2 LYS 132 8.417 -7.483 -5.077 1124 HE2 LYS 132 HE3 LYS 132 10.689 -7.124 -5.837 1125 HE3 LYS 132 HE2 LYS 132 10.294 -5.984 -4.550 1126 HZ1 LYS 132 HZ1 LYS 132 11.559 -7.231 -3.004 1127 HZ2 LYS 132 HZ2 LYS 132 12.531 -7.052 -4.380 1128 HZ3 LYS 132 HZ3 LYS 132 11.752 -8.526 -4.081 1129 H GLY 133 H GLY 133 5.426 -8.199 0.616 1130 HA2 GLY 133 HA3 GLY 133 3.285 -9.009 0.928 1131 HA3 GLY 133 HA2 GLY 133 3.376 -9.753 -0.660 1132 H GLU 134 H GLU 134 5.616 -10.289 2.029 1133 HA GLU 134 HA GLU 134 4.546 -13.023 2.218 1134 HB2 GLU 134 HB3 GLU 134 7.393 -12.056 2.440 1135 HB3 GLU 134 HB2 GLU 134 6.884 -13.649 2.989 1136 HG2 GLU 134 HG3 GLU 134 6.157 -14.220 0.751 1137 HG3 GLU 134 HG2 GLU 134 6.572 -12.605 0.182 1138 H GLN 135 H GLN 135 4.863 -14.053 4.363 1139 HA GLN 135 HA GLN 135 3.633 -12.212 6.232 1140 HB2 GLN 135 HB3 GLN 135 2.581 -14.369 5.783 1141 HB3 GLN 135 HB2 GLN 135 4.023 -15.209 6.331 1142 HG2 GLN 135 HG3 GLN 135 2.461 -15.335 8.088 1143 HG3 GLN 135 HG2 GLN 135 3.665 -14.145 8.576 1144 HE21 GLN 135 HE22 GLN 135 2.316 -13.112 10.006 1145 HE22 GLN 135 HE21 GLN 135 0.964 -12.161 9.499 1146 H VAL 136 H VAL 136 4.524 -11.398 8.010 1147 HA VAL 136 HA VAL 136 6.999 -12.599 9.064 1148 HB VAL 136 HB VAL 136 5.761 -9.911 9.727 1149 HG11 VAL 136 HG11 VAL 136 7.052 -10.816 11.577 1150 HG12 VAL 136 HG12 VAL 136 7.885 -9.440 10.852 1151 HG13 VAL 136 HG13 VAL 136 8.428 -11.082 10.507 1152 HG21 VAL 136 HG21 VAL 136 8.159 -10.550 8.015 1153 HG22 VAL 136 HG22 VAL 136 7.616 -8.935 8.471 1154 HG23 VAL 136 HG23 VAL 136 6.601 -9.948 7.445 1155 H VAL 137 H VAL 137 6.984 -13.512 11.095 1156 HA VAL 137 HA VAL 137 4.482 -14.274 12.191 1157 HB VAL 137 HB VAL 137 7.196 -14.446 13.511 1158 HG11 VAL 137 HG11 VAL 137 4.648 -15.985 14.005 1159 HG12 VAL 137 HG12 VAL 137 5.363 -14.780 15.075 1160 HG13 VAL 137 HG13 VAL 137 6.202 -16.302 14.776 1161 HG21 VAL 137 HG21 VAL 137 5.787 -16.429 11.725 1162 HG22 VAL 137 HG22 VAL 137 7.275 -16.739 12.623 1163 HG23 VAL 137 HG23 VAL 137 7.253 -15.528 11.341 1164 H GLY 138 H GLY 138 6.940 -11.941 13.166 1165 HA2 GLY 138 HA3 GLY 138 5.845 -9.798 13.970 1166 HA3 GLY 138 HA2 GLY 138 5.012 -10.840 15.113 1167 H GLY 139 H GLY 139 8.229 -11.751 14.411 1168 HA2 GLY 139 HA3 GLY 139 8.984 -11.315 17.149 1169 HA3 GLY 139 HA2 GLY 139 9.980 -12.026 15.889 1170 H ASN 140 H ASN 140 8.790 -9.154 14.753 1171 HA ASN 140 HA ASN 140 11.300 -7.782 15.313 1172 HB2 ASN 140 HB3 ASN 140 9.021 -7.063 13.451 1173 HB3 ASN 140 HB2 ASN 140 10.485 -6.110 13.645 1174 HD21 ASN 140 HD22 ASN 140 11.150 -6.307 11.552 1175 HD22 ASN 140 HD21 ASN 140 11.682 -7.804 10.865 1176 H GLU 141 H GLU 141 8.347 -8.064 16.714 1177 HA GLU 141 HA GLU 141 8.252 -5.293 17.660 1178 HB2 GLU 141 HB3 GLU 141 6.270 -7.547 18.049 1179 HB3 GLU 141 HB2 GLU 141 6.062 -5.900 18.624 1180 HG2 GLU 141 HG3 GLU 141 6.160 -6.834 15.769 1181 HG3 GLU 141 HG2 GLU 141 4.771 -6.187 16.639 Start of MODEL 13 1 H MET 1 H MET 1 -1.408 30.083 4.329 2 HA MET 1 HA MET 1 1.174 29.567 5.693 3 HB2 MET 1 HB3 MET 1 0.024 32.107 4.507 4 HB3 MET 1 HB2 MET 1 1.496 32.017 5.464 5 HG2 MET 1 HG3 MET 1 2.536 30.621 3.771 6 HG3 MET 1 HG2 MET 1 1.053 30.656 2.818 7 HE1 MET 1 HE1 MET 1 3.858 31.412 1.579 8 HE2 MET 1 HE2 MET 1 3.447 32.866 0.668 9 HE3 MET 1 HE3 MET 1 2.345 31.488 0.676 10 H ARG 2 H ARG 2 1.199 31.650 7.357 11 HA ARG 2 HA ARG 2 0.488 32.417 9.359 12 HB2 ARG 2 HB3 ARG 2 -2.299 32.193 8.234 13 HB3 ARG 2 HB2 ARG 2 -1.761 33.231 9.546 14 HG2 ARG 2 HG3 ARG 2 -0.373 34.489 7.973 15 HG3 ARG 2 HG2 ARG 2 -0.948 33.459 6.658 16 HD2 ARG 2 HD3 ARG 2 -2.527 35.382 8.341 17 HD3 ARG 2 HD2 ARG 2 -2.265 35.424 6.599 18 HE ARG 2 HE ARG 2 -3.552 33.017 7.231 19 HH11 ARG 2 HH11 ARG 2 -4.191 36.458 7.272 20 HH12 ARG 2 HH12 ARG 2 -5.903 36.271 7.007 21 HH21 ARG 2 HH22 ARG 2 -5.794 32.762 6.909 22 HH22 ARG 2 HH21 ARG 2 -6.818 34.165 6.829 23 H GLU 3 H GLU 3 -2.603 30.828 9.106 24 HA GLU 3 HA GLU 3 -2.209 29.328 11.466 25 HB2 GLU 3 HB3 GLU 3 -4.353 28.309 11.001 26 HB3 GLU 3 HB2 GLU 3 -4.442 30.021 10.634 27 HG2 GLU 3 HG3 GLU 3 -4.029 27.888 8.555 28 HG3 GLU 3 HG2 GLU 3 -5.608 28.500 9.028 29 H ASP 4 H ASP 4 -1.888 28.633 8.074 30 HA ASP 4 HA ASP 4 -0.788 27.056 6.897 31 HB2 ASP 4 HB3 ASP 4 0.961 28.077 8.548 32 HB3 ASP 4 HB2 ASP 4 0.925 26.471 9.275 33 H LYS 5 H LYS 5 -2.113 25.412 6.467 34 HA LYS 5 HA LYS 5 -2.373 23.255 8.459 35 HB2 LYS 5 HB3 LYS 5 -4.226 24.007 6.184 36 HB3 LYS 5 HB2 LYS 5 -4.493 22.701 7.331 37 HG2 LYS 5 HG3 LYS 5 -4.885 24.183 9.102 38 HG3 LYS 5 HG2 LYS 5 -4.189 25.548 8.226 39 HD2 LYS 5 HD3 LYS 5 -6.049 25.452 6.626 40 HD3 LYS 5 HD2 LYS 5 -6.749 24.107 7.529 41 HE2 LYS 5 HE3 LYS 5 -7.184 25.474 9.409 42 HE3 LYS 5 HE2 LYS 5 -6.176 26.780 8.784 43 HZ1 LYS 5 HZ1 LYS 5 -8.523 27.268 8.506 44 HZ2 LYS 5 HZ2 LYS 5 -8.739 25.854 7.593 45 HZ3 LYS 5 HZ3 LYS 5 -7.764 27.110 7.000 46 H ILE 6 H ILE 6 -0.252 23.685 6.349 47 HA ILE 6 HA ILE 6 -0.887 21.553 4.443 48 HB ILE 6 HB ILE 6 1.058 22.353 3.155 49 HG12 ILE 6 HG13 ILE 6 1.177 24.544 5.242 50 HG13 ILE 6 HG12 ILE 6 2.362 23.257 5.053 51 HG21 ILE 6 HG21 ILE 6 -0.964 24.475 3.866 52 HG22 ILE 6 HG22 ILE 6 -1.161 23.204 2.660 53 HG23 ILE 6 HG23 ILE 6 0.046 24.467 2.421 54 HD11 ILE 6 HD11 ILE 6 2.929 24.102 2.839 55 HD12 ILE 6 HD12 ILE 6 3.145 25.337 4.078 56 HD13 ILE 6 HD13 ILE 6 1.734 25.385 3.021 57 H ALA 7 H ALA 7 0.791 21.943 7.315 58 HA ALA 7 HA ALA 7 2.289 20.695 8.472 59 HB1 ALA 7 HB1 ALA 7 2.357 18.298 8.023 60 HB2 ALA 7 HB2 ALA 7 1.561 18.557 6.470 61 HB3 ALA 7 HB3 ALA 7 0.700 18.902 7.969 62 H ALA 8 H ALA 8 4.012 18.611 7.478 63 HA ALA 8 HA ALA 8 5.990 18.196 6.468 64 HB1 ALA 8 HB1 ALA 8 4.896 18.859 4.374 65 HB2 ALA 8 HB2 ALA 8 6.609 19.282 4.402 66 HB3 ALA 8 HB3 ALA 8 5.388 20.528 4.660 67 H LYS 9 H LYS 9 5.395 21.597 7.189 68 HA LYS 9 HA LYS 9 8.109 22.354 7.424 69 HB2 LYS 9 HB3 LYS 9 5.630 23.556 8.663 70 HB3 LYS 9 HB2 LYS 9 7.213 24.323 8.641 71 HG2 LYS 9 HG3 LYS 9 7.174 24.431 6.234 72 HG3 LYS 9 HG2 LYS 9 5.647 23.548 6.192 73 HD2 LYS 9 HD3 LYS 9 4.555 25.370 7.393 74 HD3 LYS 9 HD2 LYS 9 6.084 26.251 7.451 75 HE2 LYS 9 HE3 LYS 9 6.132 26.406 5.043 76 HE3 LYS 9 HE2 LYS 9 4.680 25.414 4.921 77 HZ1 LYS 9 HZ1 LYS 9 4.772 28.039 6.300 78 HZ2 LYS 9 HZ2 LYS 9 3.392 27.116 5.941 79 HZ3 LYS 9 HZ3 LYS 9 4.286 27.831 4.693 80 H LYS 10 H LYS 10 5.748 21.168 9.772 81 HA LYS 10 HA LYS 10 7.578 21.401 11.959 82 HB2 LYS 10 HB3 LYS 10 4.903 20.033 11.697 83 HB3 LYS 10 HB2 LYS 10 5.856 19.991 13.178 84 HG2 LYS 10 HG3 LYS 10 5.853 22.482 13.169 85 HG3 LYS 10 HG2 LYS 10 4.737 22.422 11.807 86 HD2 LYS 10 HD3 LYS 10 3.081 21.298 13.150 87 HD3 LYS 10 HD2 LYS 10 4.212 21.173 14.501 88 HE2 LYS 10 HE3 LYS 10 4.294 23.608 14.664 89 HE3 LYS 10 HE2 LYS 10 3.185 23.744 13.303 90 HZ1 LYS 10 HZ1 LYS 10 1.486 22.647 14.607 91 HZ2 LYS 10 HZ2 LYS 10 2.058 24.016 15.423 92 HZ3 LYS 10 HZ3 LYS 10 2.551 22.474 15.914 93 H LYS 11 H LYS 11 8.800 19.876 12.911 94 HA LYS 11 HA LYS 11 10.072 18.233 10.986 95 HB2 LYS 11 HB3 LYS 11 10.576 18.299 13.958 96 HB3 LYS 11 HB2 LYS 11 11.710 17.843 12.691 97 HG2 LYS 11 HG3 LYS 11 11.746 20.106 11.852 98 HG3 LYS 11 HG2 LYS 11 10.519 20.589 13.022 99 HD2 LYS 11 HD3 LYS 11 12.119 19.931 14.834 100 HD3 LYS 11 HD2 LYS 11 13.344 19.704 13.582 101 HE2 LYS 11 HE3 LYS 11 11.881 22.261 14.233 102 HE3 LYS 11 HE2 LYS 11 13.571 21.901 14.582 103 HZ1 LYS 11 HZ1 LYS 11 13.946 21.713 12.169 104 HZ2 LYS 11 HZ2 LYS 11 13.421 23.261 12.628 105 HZ3 LYS 11 HZ3 LYS 11 12.343 22.183 11.890 106 H LEU 12 H LEU 12 7.568 17.552 13.202 107 HA LEU 12 HA LEU 12 8.112 14.833 13.726 108 HB2 LEU 12 HB3 LEU 12 5.529 16.384 13.712 109 HB3 LEU 12 HB2 LEU 12 5.614 14.691 14.152 110 HG LEU 12 HG LEU 12 7.272 15.386 15.959 111 HD11 LEU 12 HD11 LEU 12 6.152 18.112 15.327 112 HD12 LEU 12 HD12 LEU 12 7.823 17.598 15.095 113 HD13 LEU 12 HD13 LEU 12 7.147 17.698 16.722 114 HD21 LEU 12 HD21 LEU 12 5.488 16.051 17.486 115 HD22 LEU 12 HD22 LEU 12 4.977 14.736 16.428 116 HD23 LEU 12 HD23 LEU 12 4.434 16.384 16.112 117 H HIS 13 H HIS 13 6.549 16.483 11.077 118 HA HIS 13 HA HIS 13 5.819 15.844 9.041 119 HB2 HIS 13 HB3 HIS 13 7.879 13.765 9.615 120 HB3 HIS 13 HB2 HIS 13 6.856 13.581 8.195 121 HD1 HIS 13 HD1 HIS 13 6.800 15.965 6.694 122 HD2 HIS 13 HD2 HIS 13 10.132 15.134 9.050 123 HE1 HIS 13 HE1 HIS 13 8.675 17.353 5.743 124 HE2 HIS 13 HE2 HIS 13 10.725 16.632 7.021 125 H GLN 14 H GLN 14 3.672 15.564 9.414 126 HA GLN 14 HA GLN 14 2.565 13.015 10.164 127 HB2 GLN 14 HB3 GLN 14 1.365 15.123 10.610 128 HB3 GLN 14 HB2 GLN 14 1.280 15.444 8.884 129 HG2 GLN 14 HG3 GLN 14 -0.078 13.389 8.619 130 HG3 GLN 14 HG2 GLN 14 -0.073 13.206 10.372 131 HE21 GLN 14 HE22 GLN 14 -1.240 15.080 7.688 132 HE22 GLN 14 HE21 GLN 14 -2.467 15.941 8.551 133 H ASP 15 H ASP 15 3.965 14.326 7.453 134 HA ASP 15 HA ASP 15 2.455 13.477 5.283 135 HB2 ASP 15 HB3 ASP 15 5.472 13.556 5.347 136 HB3 ASP 15 HB2 ASP 15 4.413 13.848 3.971 137 H LYS 16 H LYS 16 4.756 11.729 7.264 138 HA LYS 16 HA LYS 16 5.344 9.594 5.576 139 HB2 LYS 16 HB3 LYS 16 6.630 9.982 7.571 140 HB3 LYS 16 HB2 LYS 16 5.222 9.731 8.590 141 HG2 LYS 16 HG3 LYS 16 6.583 7.788 8.732 142 HG3 LYS 16 HG2 LYS 16 5.150 7.371 7.795 143 HD2 LYS 16 HD3 LYS 16 6.468 7.681 5.718 144 HD3 LYS 16 HD2 LYS 16 7.900 7.981 6.707 145 HE2 LYS 16 HE3 LYS 16 7.569 5.739 7.745 146 HE3 LYS 16 HE2 LYS 16 6.264 5.451 6.598 147 HZ1 LYS 16 HZ1 LYS 16 7.874 5.708 4.788 148 HZ2 LYS 16 HZ2 LYS 16 8.307 4.449 5.838 149 HZ3 LYS 16 HZ3 LYS 16 9.114 5.936 5.918 150 H ARG 17 H ARG 17 2.502 10.141 7.577 151 HA ARG 17 HA ARG 17 1.741 7.359 7.370 152 HB2 ARG 17 HB3 ARG 17 0.540 9.696 8.807 153 HB3 ARG 17 HB2 ARG 17 -0.339 8.178 8.631 154 HG2 ARG 17 HG3 ARG 17 1.839 7.111 9.545 155 HG3 ARG 17 HG2 ARG 17 2.180 8.740 10.126 156 HD2 ARG 17 HD3 ARG 17 0.623 8.619 11.742 157 HD3 ARG 17 HD2 ARG 17 -0.529 7.777 10.701 158 HE ARG 17 HE ARG 17 0.956 5.760 11.103 159 HH11 ARG 17 HH11 ARG 17 0.632 8.352 13.459 160 HH12 ARG 17 HH12 ARG 17 0.920 7.307 14.817 161 HH21 ARG 17 HH22 ARG 17 1.329 4.402 12.882 162 HH22 ARG 17 HH21 ARG 17 1.348 5.067 14.492 163 H VAL 18 H VAL 18 1.411 9.974 5.342 164 HA VAL 18 HA VAL 18 -1.080 9.253 4.145 165 HB VAL 18 HB VAL 18 1.345 10.581 2.898 166 HG11 VAL 18 HG11 VAL 18 -1.487 10.383 1.873 167 HG12 VAL 18 HG12 VAL 18 -0.081 9.558 1.199 168 HG13 VAL 18 HG13 VAL 18 -0.186 11.318 1.135 169 HG21 VAL 18 HG21 VAL 18 0.404 11.871 4.730 170 HG22 VAL 18 HG22 VAL 18 -1.202 11.746 4.013 171 HG23 VAL 18 HG23 VAL 18 0.065 12.656 3.187 172 H HIS 19 H HIS 19 2.270 8.329 3.753 173 HA HIS 19 HA HIS 19 2.054 6.425 1.731 174 HB2 HIS 19 HB3 HIS 19 4.221 7.055 2.309 175 HB3 HIS 19 HB2 HIS 19 3.919 6.903 4.030 176 HD1 HIS 19 HD1 HIS 19 4.630 4.759 0.991 177 HD2 HIS 19 HD2 HIS 19 4.705 4.546 5.135 178 HE1 HIS 19 HE1 HIS 19 5.785 2.593 1.534 179 HE2 HIS 19 HE2 HIS 19 6.072 2.646 4.045 180 H GLU 20 H GLU 20 0.888 6.354 4.964 181 HA GLU 20 HA GLU 20 0.588 3.454 4.936 182 HB2 GLU 20 HB3 GLU 20 -0.097 5.494 7.053 183 HB3 GLU 20 HB2 GLU 20 -0.390 3.768 7.210 184 HG2 GLU 20 HG3 GLU 20 2.159 3.575 6.711 185 HG3 GLU 20 HG2 GLU 20 2.186 5.261 7.226 186 H LEU 21 H LEU 21 -1.549 6.281 5.441 187 HA LEU 21 HA LEU 21 -3.877 4.663 5.468 188 HB2 LEU 21 HB3 LEU 21 -3.696 7.646 5.081 189 HB3 LEU 21 HB2 LEU 21 -5.128 6.743 5.541 190 HG LEU 21 HG LEU 21 -2.621 7.026 7.201 191 HD11 LEU 21 HD11 LEU 21 -5.372 8.210 7.525 192 HD12 LEU 21 HD12 LEU 21 -3.901 9.085 7.100 193 HD13 LEU 21 HD13 LEU 21 -4.056 8.339 8.691 194 HD21 LEU 21 HD21 LEU 21 -3.897 5.894 8.946 195 HD22 LEU 21 HD22 LEU 21 -3.705 4.862 7.529 196 HD23 LEU 21 HD23 LEU 21 -5.242 5.672 7.828 197 H ALA 22 H ALA 22 -2.244 6.410 2.893 198 HA ALA 22 HA ALA 22 -4.334 6.463 1.024 199 HB1 ALA 22 HB1 ALA 22 -2.625 6.675 -0.690 200 HB2 ALA 22 HB2 ALA 22 -1.391 6.145 0.453 201 HB3 ALA 22 HB3 ALA 22 -2.228 7.675 0.707 202 H ARG 23 H ARG 23 -2.209 3.875 2.007 203 HA ARG 23 HA ARG 23 -2.737 2.084 -0.113 204 HB2 ARG 23 HB3 ARG 23 -1.938 1.576 2.755 205 HB3 ARG 23 HB2 ARG 23 -2.007 0.328 1.519 206 HG2 ARG 23 HG3 ARG 23 -0.280 1.434 0.250 207 HG3 ARG 23 HG2 ARG 23 -0.259 2.773 1.400 208 HD2 ARG 23 HD3 ARG 23 0.330 -0.088 2.131 209 HD3 ARG 23 HD2 ARG 23 1.568 1.096 1.714 210 HE ARG 23 HE ARG 23 0.642 2.412 3.660 211 HH11 ARG 23 HH11 ARG 23 0.374 -1.074 3.525 212 HH12 ARG 23 HH12 ARG 23 0.502 -1.281 5.243 213 HH21 ARG 23 HH22 ARG 23 0.782 2.132 5.948 214 HH22 ARG 23 HH21 ARG 23 0.714 0.535 6.614 215 H VAL 24 H VAL 24 -4.127 2.349 3.145 216 HA VAL 24 HA VAL 24 -6.065 0.327 2.827 217 HB VAL 24 HB VAL 24 -6.199 2.744 4.645 218 HG11 VAL 24 HG11 VAL 24 -7.572 0.063 4.820 219 HG12 VAL 24 HG12 VAL 24 -8.339 1.605 4.443 220 HG13 VAL 24 HG13 VAL 24 -7.644 1.334 6.041 221 HG21 VAL 24 HG21 VAL 24 -4.122 1.522 4.979 222 HG22 VAL 24 HG22 VAL 24 -5.018 0.013 5.143 223 HG23 VAL 24 HG23 VAL 24 -5.206 1.284 6.350 224 H LYS 25 H LYS 25 -6.098 3.795 2.240 225 HA LYS 25 HA LYS 25 -8.795 4.157 1.641 226 HB2 LYS 25 HB3 LYS 25 -6.629 5.779 1.725 227 HB3 LYS 25 HB2 LYS 25 -6.821 5.631 -0.015 228 HG2 LYS 25 HG3 LYS 25 -8.917 6.593 1.922 229 HG3 LYS 25 HG2 LYS 25 -7.954 7.602 0.842 230 HD2 LYS 25 HD3 LYS 25 -8.961 6.542 -1.092 231 HD3 LYS 25 HD2 LYS 25 -9.865 5.444 -0.046 232 HE2 LYS 25 HE3 LYS 25 -10.971 7.433 0.967 233 HE3 LYS 25 HE2 LYS 25 -10.162 8.438 -0.236 234 HZ1 LYS 25 HZ1 LYS 25 -11.289 7.209 -1.978 235 HZ2 LYS 25 HZ2 LYS 25 -12.419 7.876 -0.902 236 HZ3 LYS 25 HZ3 LYS 25 -12.049 6.224 -0.824 237 H PHE 26 H PHE 26 -6.081 3.315 -0.508 238 HA PHE 26 HA PHE 26 -7.622 3.078 -2.861 239 HB2 PHE 26 HB3 PHE 26 -5.208 3.323 -2.972 240 HB3 PHE 26 HB2 PHE 26 -4.981 1.803 -2.115 241 HD1 PHE 26 HD1 PHE 26 -6.355 3.243 -5.251 242 HD2 PHE 26 HD2 PHE 26 -4.806 -0.200 -3.285 243 HE1 PHE 26 HE1 PHE 26 -6.312 2.040 -7.398 244 HE2 PHE 26 HE2 PHE 26 -4.760 -1.408 -5.428 245 HZ PHE 26 HZ PHE 26 -5.514 -0.289 -7.488 246 H MET 27 H MET 27 -6.535 0.662 -0.500 247 HA MET 27 HA MET 27 -7.582 -1.626 -1.709 248 HB2 MET 27 HB3 MET 27 -7.215 -0.947 1.209 249 HB3 MET 27 HB2 MET 27 -7.672 -2.545 0.635 250 HG2 MET 27 HG3 MET 27 -5.599 -2.733 -0.596 251 HG3 MET 27 HG2 MET 27 -5.150 -1.094 -0.138 252 HE1 MET 27 HE1 MET 27 -2.621 -3.342 1.867 253 HE2 MET 27 HE2 MET 27 -2.794 -2.068 0.660 254 HE3 MET 27 HE3 MET 27 -3.289 -3.718 0.278 255 H GLN 28 H GLN 28 -9.125 0.585 0.612 256 HA GLN 28 HA GLN 28 -11.600 -0.749 0.732 257 HB2 GLN 28 HB3 GLN 28 -10.785 1.077 2.269 258 HB3 GLN 28 HB2 GLN 28 -11.162 2.226 0.992 259 HG2 GLN 28 HG3 GLN 28 -13.522 1.279 1.061 260 HG3 GLN 28 HG2 GLN 28 -13.044 0.514 2.576 261 HE21 GLN 28 HE22 GLN 28 -15.084 2.459 2.267 262 HE22 GLN 28 HE21 GLN 28 -14.621 3.837 3.203 263 H ASP 29 H ASP 29 -10.492 1.951 -1.273 264 HA ASP 29 HA ASP 29 -12.942 2.524 -2.497 265 HB2 ASP 29 HB3 ASP 29 -10.827 3.939 -2.473 266 HB3 ASP 29 HB2 ASP 29 -10.242 2.924 -3.787 267 H VAL 30 H VAL 30 -10.362 0.290 -3.433 268 HA VAL 30 HA VAL 30 -11.520 -0.260 -5.994 269 HB VAL 30 HB VAL 30 -9.069 -0.432 -5.473 270 HG11 VAL 30 HG11 VAL 30 -9.167 -1.622 -3.370 271 HG12 VAL 30 HG12 VAL 30 -8.229 -2.541 -4.547 272 HG13 VAL 30 HG13 VAL 30 -9.883 -3.021 -4.168 273 HG21 VAL 30 HG21 VAL 30 -9.984 -1.323 -7.525 274 HG22 VAL 30 HG22 VAL 30 -10.387 -2.836 -6.717 275 HG23 VAL 30 HG23 VAL 30 -8.699 -2.370 -6.925 276 H VAL 31 H VAL 31 -11.789 -1.685 -2.806 277 HA VAL 31 HA VAL 31 -13.073 -4.094 -3.715 278 HB VAL 31 HB VAL 31 -12.962 -2.860 -0.951 279 HG11 VAL 31 HG11 VAL 31 -13.668 -5.057 -0.126 280 HG12 VAL 31 HG12 VAL 31 -13.876 -5.611 -1.788 281 HG13 VAL 31 HG13 VAL 31 -14.899 -4.323 -1.154 282 HG21 VAL 31 HG21 VAL 31 -11.293 -4.580 -0.485 283 HG22 VAL 31 HG22 VAL 31 -10.777 -3.529 -1.804 284 HG23 VAL 31 HG23 VAL 31 -11.400 -5.141 -2.155 285 H ASN 32 H ASN 32 -14.103 -0.935 -2.581 286 HA ASN 32 HA ASN 32 -16.861 -1.700 -2.346 287 HB2 ASN 32 HB3 ASN 32 -15.479 0.984 -2.187 288 HB3 ASN 32 HB2 ASN 32 -17.220 0.788 -2.014 289 HD21 ASN 32 HD22 ASN 32 -17.245 1.531 0.100 290 HD22 ASN 32 HD21 ASN 32 -16.589 0.614 1.414 291 H SER 33 H SER 33 -14.810 -0.557 -4.853 292 HA SER 33 HA SER 33 -17.109 0.197 -6.480 293 HB2 SER 33 HB3 SER 33 -15.404 0.942 -8.146 294 HB3 SER 33 HB2 SER 33 -15.267 1.757 -6.589 295 HG SER 33 HG SER 33 -13.466 0.620 -6.125 296 H ASP 34 H ASP 34 -16.985 -0.580 -8.836 297 HA ASP 34 HA ASP 34 -17.286 -3.409 -8.731 298 HB2 ASP 34 HB3 ASP 34 -17.373 -1.472 -11.048 299 HB3 ASP 34 HB2 ASP 34 -17.747 -3.187 -11.192 300 H THR 35 H THR 35 -14.572 -1.526 -9.146 301 HA THR 35 HA THR 35 -13.124 -2.809 -11.142 302 HB THR 35 HB THR 35 -12.005 -1.615 -8.601 303 HG1 THR 35 HG1 THR 35 -12.021 -0.023 -10.835 304 HG21 THR 35 HG21 THR 35 -10.056 -1.100 -10.013 305 HG22 THR 35 HG22 THR 35 -10.822 -1.936 -11.365 306 HG23 THR 35 HG23 THR 35 -10.351 -2.837 -9.923 307 H PHE 36 H PHE 36 -13.423 -3.598 -7.677 308 HA PHE 36 HA PHE 36 -12.593 -6.316 -8.339 309 HB2 PHE 36 HB3 PHE 36 -11.104 -4.474 -6.568 310 HB3 PHE 36 HB2 PHE 36 -11.321 -6.116 -5.975 311 HD1 PHE 36 HD1 PHE 36 -10.673 -8.018 -7.590 312 HD2 PHE 36 HD2 PHE 36 -9.367 -3.993 -8.025 313 HE1 PHE 36 HE1 PHE 36 -8.792 -8.784 -8.977 314 HE2 PHE 36 HE2 PHE 36 -7.484 -4.751 -9.415 315 HZ PHE 36 HZ PHE 36 -7.195 -7.150 -9.894 316 H LYS 37 H LYS 37 -15.104 -4.827 -7.427 317 HA LYS 37 HA LYS 37 -15.683 -5.761 -4.806 318 HB2 LYS 37 HB3 LYS 37 -16.919 -3.920 -6.088 319 HB3 LYS 37 HB2 LYS 37 -17.767 -5.215 -6.922 320 HG2 LYS 37 HG3 LYS 37 -18.649 -6.032 -4.817 321 HG3 LYS 37 HG2 LYS 37 -17.742 -4.806 -3.938 322 HD2 LYS 37 HD3 LYS 37 -19.947 -3.990 -4.066 323 HD3 LYS 37 HD2 LYS 37 -19.043 -3.086 -5.279 324 HE2 LYS 37 HE3 LYS 37 -20.492 -5.584 -6.053 325 HE3 LYS 37 HE2 LYS 37 -21.385 -4.079 -5.853 326 HZ1 LYS 37 HZ1 LYS 37 -20.540 -4.632 -8.160 327 HZ2 LYS 37 HZ2 LYS 37 -18.997 -4.252 -7.582 328 HZ3 LYS 37 HZ3 LYS 37 -20.214 -3.073 -7.584 329 H GLY 38 H GLY 38 -15.344 -7.380 -7.722 330 HA2 GLY 38 HA3 GLY 38 -17.183 -9.530 -7.227 331 HA3 GLY 38 HA2 GLY 38 -15.891 -9.513 -8.421 332 H GLN 39 H GLN 39 -14.064 -8.679 -6.081 333 HA GLN 39 HA GLN 39 -13.762 -11.374 -4.930 334 HB2 GLN 39 HB3 GLN 39 -11.590 -9.344 -5.493 335 HB3 GLN 39 HB2 GLN 39 -11.351 -10.917 -4.748 336 HG2 GLN 39 HG3 GLN 39 -12.223 -11.950 -6.846 337 HG3 GLN 39 HG2 GLN 39 -12.215 -10.343 -7.568 338 HE21 GLN 39 HE22 GLN 39 -9.815 -11.434 -5.283 339 HE22 GLN 39 HE21 GLN 39 -8.501 -11.507 -6.403 340 HA PRO 40 HA PRO 40 -14.882 -8.760 -1.361 341 HB2 PRO 40 HB2 PRO 40 -15.111 -11.435 -0.115 342 HB3 PRO 40 HB3 PRO 40 -16.286 -10.116 -0.173 343 HG2 PRO 40 HG3 PRO 40 -16.610 -12.325 -1.644 344 HG3 PRO 40 HG2 PRO 40 -17.066 -10.728 -2.265 345 HD2 PRO 40 HD3 PRO 40 -14.643 -12.378 -2.872 346 HD3 PRO 40 HD2 PRO 40 -15.639 -11.392 -3.964 347 H ILE 41 H ILE 41 -12.591 -11.388 -1.632 348 HA ILE 41 HA ILE 41 -10.962 -10.155 0.484 349 HB ILE 41 HB ILE 41 -11.171 -13.139 0.015 350 HG12 ILE 41 HG13 ILE 41 -13.254 -12.238 1.014 351 HG13 ILE 41 HG12 ILE 41 -12.378 -13.287 2.124 352 HG21 ILE 41 HG21 ILE 41 -8.998 -12.330 0.849 353 HG22 ILE 41 HG22 ILE 41 -9.836 -13.345 2.026 354 HG23 ILE 41 HG23 ILE 41 -9.821 -11.591 2.226 355 HD11 ILE 41 HD11 ILE 41 -13.262 -11.346 3.270 356 HD12 ILE 41 HD12 ILE 41 -12.392 -10.278 2.170 357 HD13 ILE 41 HD13 ILE 41 -11.498 -11.320 3.277 358 H PHE 42 H PHE 42 -8.744 -10.134 0.085 359 HA PHE 42 HA PHE 42 -7.913 -11.134 -2.557 360 HB2 PHE 42 HB3 PHE 42 -6.763 -8.849 -0.940 361 HB3 PHE 42 HB2 PHE 42 -6.091 -9.446 -2.453 362 HD1 PHE 42 HD1 PHE 42 -8.017 -9.642 -4.366 363 HD2 PHE 42 HD2 PHE 42 -7.961 -6.919 -1.097 364 HE1 PHE 42 HE1 PHE 42 -9.465 -8.105 -5.627 365 HE2 PHE 42 HE2 PHE 42 -9.411 -5.379 -2.350 366 HZ PHE 42 HZ PHE 42 -10.166 -5.971 -4.617 367 H ASP 43 H ASP 43 -5.391 -11.469 -2.528 368 HA ASP 43 HA ASP 43 -4.779 -13.068 -0.133 369 HB2 ASP 43 HB3 ASP 43 -3.674 -14.670 -1.507 370 HB3 ASP 43 HB2 ASP 43 -5.222 -14.340 -2.279 371 H HIS 44 H HIS 44 -2.154 -13.632 -0.561 372 HA HIS 44 HA HIS 44 -1.008 -11.100 0.192 373 HB2 HIS 44 HB3 HIS 44 0.148 -13.885 0.099 374 HB3 HIS 44 HB2 HIS 44 1.056 -12.472 0.626 375 HD1 HIS 44 HD1 HIS 44 -0.608 -15.185 2.047 376 HD2 HIS 44 HD2 HIS 44 -0.691 -11.093 2.801 377 HE1 HIS 44 HE1 HIS 44 -1.496 -14.941 4.392 378 HE2 HIS 44 HE2 HIS 44 -1.729 -12.452 4.752 379 H ALA 45 H ALA 45 -1.016 -13.090 -2.666 380 HA ALA 45 HA ALA 45 1.325 -11.958 -3.844 381 HB1 ALA 45 HB1 ALA 45 -1.050 -13.241 -5.198 382 HB2 ALA 45 HB2 ALA 45 0.394 -14.083 -4.633 383 HB3 ALA 45 HB3 ALA 45 0.513 -12.907 -5.942 384 H HIS 46 H HIS 46 -2.123 -11.192 -3.936 385 HA HIS 46 HA HIS 46 -1.862 -8.988 -5.700 386 HB2 HIS 46 HB3 HIS 46 -4.003 -9.945 -3.849 387 HB3 HIS 46 HB2 HIS 46 -4.113 -8.316 -4.514 388 HD1 HIS 46 HD1 HIS 46 -4.364 -11.917 -5.453 389 HD2 HIS 46 HD2 HIS 46 -4.551 -8.184 -7.287 390 HE1 HIS 46 HE1 HIS 46 -5.299 -12.330 -7.760 391 HE2 HIS 46 HE2 HIS 46 -5.190 -10.084 -8.915 392 H THR 47 H THR 47 -1.291 -9.383 -2.306 393 HA THR 47 HA THR 47 -1.193 -6.687 -1.533 394 HB THR 47 HB THR 47 0.527 -9.014 -0.648 395 HG1 THR 47 HG1 THR 47 -2.003 -8.347 -0.150 396 HG21 THR 47 HG21 THR 47 1.738 -6.996 -0.159 397 HG22 THR 47 HG22 THR 47 1.033 -7.596 1.344 398 HG23 THR 47 HG23 THR 47 0.291 -6.231 0.502 399 H ARG 48 H ARG 48 1.465 -8.794 -2.630 400 HA ARG 48 HA ARG 48 3.399 -6.854 -3.021 401 HB2 ARG 48 HB3 ARG 48 4.050 -9.131 -3.134 402 HB3 ARG 48 HB2 ARG 48 2.891 -9.479 -4.412 403 HG2 ARG 48 HG3 ARG 48 4.190 -8.087 -5.959 404 HG3 ARG 48 HG2 ARG 48 5.359 -7.772 -4.677 405 HD2 ARG 48 HD3 ARG 48 6.022 -10.052 -4.608 406 HD3 ARG 48 HD2 ARG 48 4.673 -10.541 -5.634 407 HE ARG 48 HE ARG 48 5.833 -9.078 -7.381 408 HH11 ARG 48 HH11 ARG 48 7.542 -10.878 -4.909 409 HH12 ARG 48 HH12 ARG 48 8.994 -11.043 -5.846 410 HH21 ARG 48 HH22 ARG 48 7.718 -9.317 -8.623 411 HH22 ARG 48 HH21 ARG 48 9.084 -10.175 -7.979 412 H GLU 49 H GLU 49 0.875 -7.959 -5.238 413 HA GLU 49 HA GLU 49 1.641 -6.594 -7.531 414 HB2 GLU 49 HB3 GLU 49 -0.149 -8.312 -7.376 415 HB3 GLU 49 HB2 GLU 49 -1.184 -7.125 -6.596 416 HG2 GLU 49 HG3 GLU 49 -1.202 -5.766 -8.578 417 HG3 GLU 49 HG2 GLU 49 -0.039 -6.836 -9.363 418 H PHE 50 H PHE 50 -0.720 -5.501 -5.075 419 HA PHE 50 HA PHE 50 -1.008 -2.935 -6.280 420 HB2 PHE 50 HB3 PHE 50 -1.851 -3.993 -3.583 421 HB3 PHE 50 HB2 PHE 50 -2.215 -2.363 -4.136 422 HD1 PHE 50 HD1 PHE 50 -2.900 -2.824 -6.953 423 HD2 PHE 50 HD2 PHE 50 -3.904 -5.067 -3.478 424 HE1 PHE 50 HE1 PHE 50 -4.939 -3.633 -8.068 425 HE2 PHE 50 HE2 PHE 50 -5.944 -5.883 -4.589 426 HZ PHE 50 HZ PHE 50 -6.464 -5.162 -6.889 427 H ILE 51 H ILE 51 0.835 -4.143 -3.506 428 HA ILE 51 HA ILE 51 1.655 -1.608 -2.581 429 HB ILE 51 HB ILE 51 2.849 -4.338 -2.127 430 HG12 ILE 51 HG13 ILE 51 0.628 -4.052 -1.172 431 HG13 ILE 51 HG12 ILE 51 1.819 -4.060 0.123 432 HG21 ILE 51 HG21 ILE 51 3.554 -1.739 -0.774 433 HG22 ILE 51 HG22 ILE 51 4.600 -2.678 -1.840 434 HG23 ILE 51 HG23 ILE 51 4.111 -3.337 -0.279 435 HD11 ILE 51 HD11 ILE 51 0.122 -2.373 0.500 436 HD12 ILE 51 HD12 ILE 51 0.502 -1.622 -1.050 437 HD13 ILE 51 HD13 ILE 51 1.699 -1.625 0.246 438 H GLN 52 H GLN 52 3.154 -3.908 -4.836 439 HA GLN 52 HA GLN 52 5.576 -2.505 -5.200 440 HB2 GLN 52 HB3 GLN 52 5.351 -4.801 -5.955 441 HB3 GLN 52 HB2 GLN 52 4.083 -4.344 -7.082 442 HG2 GLN 52 HG3 GLN 52 6.112 -4.688 -8.295 443 HG3 GLN 52 HG2 GLN 52 5.729 -2.967 -8.312 444 HE21 GLN 52 HE22 GLN 52 7.018 -1.539 -7.126 445 HE22 GLN 52 HE21 GLN 52 8.591 -1.988 -6.562 446 H SER 53 H SER 53 2.450 -2.296 -6.849 447 HA SER 53 HA SER 53 3.253 -0.445 -8.820 448 HB2 SER 53 HB3 SER 53 0.505 -0.890 -7.630 449 HB3 SER 53 HB2 SER 53 0.850 -0.056 -9.147 450 HG SER 53 HG SER 53 0.860 -2.768 -8.559 451 H PHE 54 H PHE 54 2.147 -0.056 -5.513 452 HA PHE 54 HA PHE 54 1.781 2.732 -5.509 453 HB2 PHE 54 HB3 PHE 54 1.049 1.233 -3.678 454 HB3 PHE 54 HB2 PHE 54 2.730 0.942 -3.255 455 HD1 PHE 54 HD2 PHE 54 0.109 3.543 -3.427 456 HD2 PHE 54 HD1 PHE 54 3.896 2.418 -1.845 457 HE1 PHE 54 HE2 PHE 54 0.048 5.482 -1.915 458 HE2 PHE 54 HE1 PHE 54 3.841 4.354 -0.328 459 HZ PHE 54 HZ PHE 54 1.916 5.890 -0.363 460 H ILE 55 H ILE 55 4.624 0.710 -5.013 461 HA ILE 55 HA ILE 55 6.448 2.858 -4.519 462 HB ILE 55 HB ILE 55 7.102 0.101 -5.582 463 HG12 ILE 55 HG13 ILE 55 6.986 0.968 -2.689 464 HG13 ILE 55 HG12 ILE 55 5.704 0.067 -3.491 465 HG21 ILE 55 HG21 ILE 55 9.269 0.480 -4.483 466 HG22 ILE 55 HG22 ILE 55 8.745 2.104 -4.037 467 HG23 ILE 55 HG23 ILE 55 8.940 1.677 -5.736 468 HD11 ILE 55 HD11 ILE 55 8.538 -0.866 -3.097 469 HD12 ILE 55 HD12 ILE 55 7.255 -1.772 -3.899 470 HD13 ILE 55 HD13 ILE 55 7.126 -1.395 -2.181 471 H GLU 56 H GLU 56 5.357 1.073 -7.318 472 HA GLU 56 HA GLU 56 7.220 1.842 -9.232 473 HB2 GLU 56 HB3 GLU 56 5.502 0.085 -9.514 474 HB3 GLU 56 HB2 GLU 56 4.264 1.327 -9.604 475 HG2 GLU 56 HG3 GLU 56 5.390 2.220 -11.627 476 HG3 GLU 56 HG2 GLU 56 6.493 0.844 -11.562 477 H ARG 57 H ARG 57 4.452 3.551 -7.948 478 HA ARG 57 HA ARG 57 4.364 5.532 -10.001 479 HB2 ARG 57 HB3 ARG 57 3.079 5.325 -7.292 480 HB3 ARG 57 HB2 ARG 57 2.862 6.728 -8.331 481 HG2 ARG 57 HG3 ARG 57 1.912 5.321 -10.068 482 HG3 ARG 57 HG2 ARG 57 2.165 3.893 -9.063 483 HD2 ARG 57 HD3 ARG 57 -0.162 4.748 -9.014 484 HD3 ARG 57 HD2 ARG 57 0.608 4.694 -7.429 485 HE ARG 57 HE ARG 57 0.817 7.074 -7.501 486 HH11 ARG 57 HH11 ARG 57 -1.017 5.746 -10.172 487 HH12 ARG 57 HH12 ARG 57 -1.940 7.199 -10.430 488 HH21 ARG 57 HH22 ARG 57 -0.359 9.002 -7.864 489 HH22 ARG 57 HH21 ARG 57 -1.547 9.067 -9.134 490 H ASP 58 H ASP 58 6.654 5.078 -7.664 491 HA ASP 58 HA ASP 58 7.210 7.720 -6.837 492 HB2 ASP 58 HB3 ASP 58 8.332 5.788 -5.823 493 HB3 ASP 58 HB2 ASP 58 9.125 5.427 -7.352 494 H ASP 59 H ASP 59 7.843 5.931 -9.757 495 HA ASP 59 HA ASP 59 9.596 7.703 -11.048 496 HB2 ASP 59 HB3 ASP 59 7.731 5.557 -11.922 497 HB3 ASP 59 HB2 ASP 59 8.297 6.685 -13.149 498 H THR 60 H THR 60 6.129 7.758 -10.618 499 HA THR 60 HA THR 60 5.519 9.668 -12.603 500 HB THR 60 HB THR 60 4.026 9.240 -10.011 501 HG1 THR 60 HG1 THR 60 4.104 7.728 -12.410 502 HG21 THR 60 HG21 THR 60 3.290 11.171 -11.330 503 HG22 THR 60 HG22 THR 60 2.071 9.896 -11.340 504 HG23 THR 60 HG23 THR 60 3.107 10.138 -12.747 505 H GLU 61 H GLU 61 6.164 9.962 -9.133 506 HA GLU 61 HA GLU 61 6.040 12.798 -9.085 507 HB2 GLU 61 HB3 GLU 61 7.362 10.840 -7.200 508 HB3 GLU 61 HB2 GLU 61 7.194 12.562 -6.883 509 HG2 GLU 61 HG3 GLU 61 4.779 12.359 -6.918 510 HG3 GLU 61 HG2 GLU 61 4.912 10.647 -7.317 511 H LEU 62 H LEU 62 8.627 10.459 -9.531 512 HA LEU 62 HA LEU 62 10.830 12.172 -9.581 513 HB2 LEU 62 HB3 LEU 62 11.171 9.818 -9.581 514 HB3 LEU 62 HB2 LEU 62 10.205 9.599 -11.023 515 HG LEU 62 HG LEU 62 11.956 10.692 -12.361 516 HD11 LEU 62 HD11 LEU 62 14.129 11.171 -11.396 517 HD12 LEU 62 HD12 LEU 62 13.533 10.732 -9.794 518 HD13 LEU 62 HD13 LEU 62 12.878 12.145 -10.623 519 HD21 LEU 62 HD21 LEU 62 12.929 8.415 -10.642 520 HD22 LEU 62 HD22 LEU 62 13.604 8.889 -12.202 521 HD23 LEU 62 HD23 LEU 62 11.953 8.273 -12.104 522 H ASP 63 H ASP 63 8.566 11.298 -12.179 523 HA ASP 63 HA ASP 63 9.970 12.795 -14.159 524 HB2 ASP 63 HB3 ASP 63 8.387 10.853 -14.590 525 HB3 ASP 63 HB2 ASP 63 7.068 11.983 -14.304 526 H GLU 64 H GLU 64 7.685 13.604 -11.711 527 HA GLU 64 HA GLU 64 6.846 16.109 -12.730 528 HB2 GLU 64 HB3 GLU 64 7.030 14.939 -9.974 529 HB3 GLU 64 HB2 GLU 64 6.637 16.639 -10.187 530 HG2 GLU 64 HG3 GLU 64 5.103 14.368 -11.427 531 HG3 GLU 64 HG2 GLU 64 4.665 15.171 -9.920 532 H LEU 65 H LEU 65 9.612 15.132 -10.724 533 HA LEU 65 HA LEU 65 10.812 17.703 -10.561 534 HB2 LEU 65 HB3 LEU 65 11.947 14.912 -10.402 535 HB3 LEU 65 HB2 LEU 65 12.968 16.327 -10.293 536 HG LEU 65 HG LEU 65 11.549 17.019 -8.299 537 HD11 LEU 65 HD11 LEU 65 10.686 14.150 -8.473 538 HD12 LEU 65 HD12 LEU 65 9.652 15.565 -8.671 539 HD13 LEU 65 HD13 LEU 65 10.403 15.232 -7.110 540 HD21 LEU 65 HD21 LEU 65 12.802 15.574 -6.780 541 HD22 LEU 65 HD22 LEU 65 13.816 16.164 -8.098 542 HD23 LEU 65 HD23 LEU 65 13.203 14.510 -8.129 543 H LYS 66 H LYS 66 10.954 15.060 -12.785 544 HA LYS 66 HA LYS 66 13.110 15.859 -14.388 545 HB2 LYS 66 HB3 LYS 66 11.955 13.605 -14.118 546 HB3 LYS 66 HB2 LYS 66 10.734 14.206 -15.221 547 HG2 LYS 66 HG3 LYS 66 12.085 14.017 -17.037 548 HG3 LYS 66 HG2 LYS 66 13.565 14.286 -16.104 549 HD2 LYS 66 HD3 LYS 66 13.740 12.106 -15.486 550 HD3 LYS 66 HD2 LYS 66 11.995 11.873 -15.425 551 HE2 LYS 66 HE3 LYS 66 13.621 12.061 -17.952 552 HE3 LYS 66 HE2 LYS 66 13.117 10.556 -17.188 553 HZ1 LYS 66 HZ1 LYS 66 10.764 11.630 -17.385 554 HZ2 LYS 66 HZ2 LYS 66 11.467 10.865 -18.727 555 HZ3 LYS 66 HZ3 LYS 66 11.493 12.551 -18.606 556 H LYS 67 H LYS 67 9.642 16.519 -14.594 557 HA LYS 67 HA LYS 67 10.053 18.123 -17.011 558 HB2 LYS 67 HB3 LYS 67 7.602 17.036 -15.653 559 HB3 LYS 67 HB2 LYS 67 7.488 18.288 -16.881 560 HG2 LYS 67 HG3 LYS 67 8.600 16.797 -18.483 561 HG3 LYS 67 HG2 LYS 67 8.664 15.539 -17.245 562 HD2 LYS 67 HD3 LYS 67 6.268 15.433 -17.146 563 HD3 LYS 67 HD2 LYS 67 6.116 16.829 -18.214 564 HE2 LYS 67 HE3 LYS 67 5.691 14.732 -19.401 565 HE3 LYS 67 HE2 LYS 67 7.108 15.565 -20.038 566 HZ1 LYS 67 HZ1 LYS 67 7.409 13.142 -19.751 567 HZ2 LYS 67 HZ2 LYS 67 7.223 13.336 -18.074 568 HZ3 LYS 67 HZ3 LYS 67 8.531 14.060 -18.877 569 H LYS 68 H LYS 68 10.304 18.708 -13.805 570 HA LYS 68 HA LYS 68 8.593 20.947 -13.455 571 HB2 LYS 68 HB3 LYS 68 9.781 19.550 -11.639 572 HB3 LYS 68 HB2 LYS 68 11.172 20.581 -11.947 573 HG2 LYS 68 HG3 LYS 68 9.892 22.548 -11.341 574 HG3 LYS 68 HG2 LYS 68 8.446 21.563 -11.115 575 HD2 LYS 68 HD3 LYS 68 9.806 20.263 -9.391 576 HD3 LYS 68 HD2 LYS 68 10.967 21.587 -9.479 577 HE2 LYS 68 HE3 LYS 68 8.044 21.906 -8.806 578 HE3 LYS 68 HE2 LYS 68 9.336 21.798 -7.615 579 HZ1 LYS 68 HZ1 LYS 68 8.986 23.934 -9.654 580 HZ2 LYS 68 HZ2 LYS 68 10.318 23.808 -8.609 581 HZ3 LYS 68 HZ3 LYS 68 8.768 24.080 -7.982 582 H ARG 69 H ARG 69 11.880 20.567 -14.622 583 HA ARG 69 HA ARG 69 12.027 23.452 -15.113 584 HB2 ARG 69 HB3 ARG 69 13.973 22.275 -14.029 585 HB3 ARG 69 HB2 ARG 69 14.204 21.384 -15.528 586 HG2 ARG 69 HG3 ARG 69 15.719 23.320 -15.284 587 HG3 ARG 69 HG2 ARG 69 14.699 23.406 -16.721 588 HD2 ARG 69 HD3 ARG 69 13.184 24.691 -14.825 589 HD3 ARG 69 HD2 ARG 69 14.826 25.172 -14.399 590 HE ARG 69 HE ARG 69 14.013 25.429 -17.197 591 HH11 ARG 69 HH11 ARG 69 14.692 26.993 -14.134 592 HH12 ARG 69 HH12 ARG 69 14.830 28.578 -14.826 593 HH21 ARG 69 HH22 ARG 69 14.172 27.501 -18.107 594 HH22 ARG 69 HH21 ARG 69 14.499 28.875 -17.086 595 H ARG 70 H ARG 70 10.349 21.430 -16.520 596 HA ARG 70 HA ARG 70 9.474 21.183 -18.587 597 HB2 ARG 70 HB3 ARG 70 9.878 23.633 -18.720 598 HB3 ARG 70 HB2 ARG 70 11.451 23.312 -19.425 599 HG2 ARG 70 HG3 ARG 70 10.412 22.313 -21.367 600 HG3 ARG 70 HG2 ARG 70 8.814 22.525 -20.642 601 HD2 ARG 70 HD3 ARG 70 9.226 24.968 -20.569 602 HD3 ARG 70 HD2 ARG 70 10.750 24.704 -21.413 603 HE ARG 70 HE ARG 70 8.978 23.554 -23.077 604 HH11 ARG 70 HH11 ARG 70 9.011 26.677 -21.475 605 HH12 ARG 70 HH12 ARG 70 8.148 27.476 -22.754 606 HH21 ARG 70 HH22 ARG 70 7.828 24.607 -24.746 607 HH22 ARG 70 HH21 ARG 70 7.457 26.299 -24.601 608 H SER 71 H SER 71 12.618 22.035 -19.887 609 HA SER 71 HA SER 71 13.537 19.316 -20.012 610 HB2 SER 71 HB3 SER 71 13.720 19.335 -22.517 611 HB3 SER 71 HB2 SER 71 12.060 19.270 -21.930 612 HG SER 71 HG SER 71 12.981 20.956 -23.638 613 H ASN 72 H ASN 72 14.220 22.130 -19.133 614 HA ASN 72 HA ASN 72 16.447 22.909 -20.802 615 HB2 ASN 72 HB3 ASN 72 15.621 24.024 -18.115 616 HB3 ASN 72 HB2 ASN 72 16.722 24.770 -19.264 617 HD21 ASN 72 HD22 ASN 72 15.054 24.061 -21.573 618 HD22 ASN 72 HD21 ASN 72 13.705 25.146 -21.522 619 H ARG 73 H ARG 73 16.089 22.082 -17.380 620 HA ARG 73 HA ARG 73 18.778 20.919 -17.430 621 HB2 ARG 73 HB3 ARG 73 18.967 23.182 -16.501 622 HB3 ARG 73 HB2 ARG 73 17.710 22.817 -15.328 623 HG2 ARG 73 HG3 ARG 73 19.191 21.045 -14.392 624 HG3 ARG 73 HG2 ARG 73 20.461 21.606 -15.482 625 HD2 ARG 73 HD3 ARG 73 20.333 23.835 -14.462 626 HD3 ARG 73 HD2 ARG 73 19.088 23.251 -13.360 627 HE ARG 73 HE ARG 73 21.849 22.205 -13.385 628 HH11 ARG 73 HH11 ARG 73 18.959 23.196 -11.678 629 HH12 ARG 73 HH12 ARG 73 19.642 22.946 -10.101 630 HH21 ARG 73 HH22 ARG 73 22.762 21.886 -11.296 631 HH22 ARG 73 HH21 ARG 73 21.789 22.208 -9.891 632 HA PRO 74 HA PRO 74 16.450 17.575 -15.498 633 HB2 PRO 74 HB2 PRO 74 19.222 16.564 -15.170 634 HB3 PRO 74 HB3 PRO 74 17.813 15.771 -15.881 635 HG2 PRO 74 HG3 PRO 74 19.799 16.689 -17.415 636 HG3 PRO 74 HG2 PRO 74 18.107 16.795 -17.936 637 HD2 PRO 74 HD3 PRO 74 19.891 18.928 -16.838 638 HD3 PRO 74 HD2 PRO 74 18.665 19.030 -18.119 639 HA PRO 75 HA PRO 75 16.803 18.820 -11.277 640 HB2 PRO 75 HB2 PRO 75 16.077 16.403 -10.116 641 HB3 PRO 75 HB3 PRO 75 14.957 17.648 -10.678 642 HG2 PRO 75 HG3 PRO 75 15.835 15.136 -12.027 643 HG3 PRO 75 HG2 PRO 75 14.241 15.913 -12.022 644 HD2 PRO 75 HD3 PRO 75 15.887 16.081 -14.137 645 HD3 PRO 75 HD2 PRO 75 14.837 17.433 -13.662 646 H SER 76 H SER 76 18.441 16.001 -12.476 647 HA SER 76 HA SER 76 20.324 14.896 -11.904 648 HB2 SER 76 HB3 SER 76 22.251 16.502 -11.317 649 HB3 SER 76 HB2 SER 76 21.436 16.705 -12.866 650 HG SER 76 HG SER 76 20.345 18.458 -12.062 651 H ASN 77 H ASN 77 21.108 17.256 -9.427 652 HA ASN 77 HA ASN 77 21.697 15.225 -7.545 653 HB2 ASN 77 HB3 ASN 77 22.813 17.416 -7.517 654 HB3 ASN 77 HB2 ASN 77 21.287 18.190 -7.099 655 HD21 ASN 77 HD22 ASN 77 20.602 18.186 -5.024 656 HD22 ASN 77 HD21 ASN 77 21.512 17.527 -3.710 657 H ARG 78 H ARG 78 18.905 17.302 -8.048 658 HA ARG 78 HA ARG 78 17.563 16.456 -5.648 659 HB2 ARG 78 HB3 ARG 78 17.205 18.652 -6.930 660 HB3 ARG 78 HB2 ARG 78 16.257 17.701 -8.066 661 HG2 ARG 78 HG3 ARG 78 14.802 17.005 -6.174 662 HG3 ARG 78 HG2 ARG 78 15.696 18.119 -5.137 663 HD2 ARG 78 HD3 ARG 78 15.097 19.932 -6.796 664 HD3 ARG 78 HD2 ARG 78 13.990 18.773 -7.530 665 HE ARG 78 HE ARG 78 13.783 19.702 -4.729 666 HH11 ARG 78 HH11 ARG 78 12.303 18.687 -7.738 667 HH12 ARG 78 HH12 ARG 78 10.676 18.943 -7.178 668 HH21 ARG 78 HH22 ARG 78 11.649 20.056 -4.001 669 HH22 ARG 78 HH21 ARG 78 10.311 19.727 -5.057 670 H GLN 79 H GLN 79 17.934 15.290 -8.849 671 HA GLN 79 HA GLN 79 15.579 13.685 -8.998 672 HB2 GLN 79 HB3 GLN 79 16.952 14.458 -10.960 673 HB3 GLN 79 HB2 GLN 79 18.189 13.309 -10.474 674 HG2 GLN 79 HG3 GLN 79 16.629 11.472 -10.803 675 HG3 GLN 79 HG2 GLN 79 15.370 12.618 -11.265 676 HE21 GLN 79 HE22 GLN 79 16.477 10.438 -12.803 677 HE22 GLN 79 HE21 GLN 79 17.130 11.134 -14.244 678 H VAL 80 H VAL 80 18.956 13.090 -8.139 679 HA VAL 80 HA VAL 80 18.653 10.352 -7.481 680 HB VAL 80 HB VAL 80 20.656 12.333 -6.369 681 HG11 VAL 80 HG11 VAL 80 20.726 9.318 -6.471 682 HG12 VAL 80 HG12 VAL 80 20.525 10.309 -5.026 683 HG13 VAL 80 HG13 VAL 80 22.043 10.357 -5.925 684 HG21 VAL 80 HG21 VAL 80 22.170 11.489 -8.100 685 HG22 VAL 80 HG22 VAL 80 20.743 12.253 -8.800 686 HG23 VAL 80 HG23 VAL 80 20.866 10.494 -8.751 687 H LEU 81 H LEU 81 18.315 13.346 -5.700 688 HA LEU 81 HA LEU 81 17.924 12.370 -3.115 689 HB2 LEU 81 HB3 LEU 81 18.251 14.746 -3.773 690 HB3 LEU 81 HB2 LEU 81 16.625 14.761 -4.424 691 HG LEU 81 HG LEU 81 15.754 14.310 -2.135 692 HD11 LEU 81 HD11 LEU 81 17.248 14.635 -0.231 693 HD12 LEU 81 HD12 LEU 81 18.623 14.773 -1.328 694 HD13 LEU 81 HD13 LEU 81 17.745 13.248 -1.202 695 HD21 LEU 81 HD21 LEU 81 17.474 16.763 -2.489 696 HD22 LEU 81 HD22 LEU 81 16.190 16.583 -1.292 697 HD23 LEU 81 HD23 LEU 81 15.801 16.568 -3.012 698 H LEU 82 H LEU 82 15.744 12.624 -5.849 699 HA LEU 82 HA LEU 82 13.353 11.980 -4.452 700 HB2 LEU 82 HB3 LEU 82 13.479 13.102 -6.684 701 HB3 LEU 82 HB2 LEU 82 14.012 11.588 -7.379 702 HG LEU 82 HG LEU 82 11.587 12.204 -7.740 703 HD11 LEU 82 HD11 LEU 82 12.156 9.576 -6.388 704 HD12 LEU 82 HD12 LEU 82 12.381 9.941 -8.098 705 HD13 LEU 82 HD13 LEU 82 10.760 9.933 -7.405 706 HD21 LEU 82 HD21 LEU 82 11.389 11.482 -4.824 707 HD22 LEU 82 HD22 LEU 82 10.026 11.700 -5.921 708 HD23 LEU 82 HD23 LEU 82 11.077 13.065 -5.537 709 H GLN 83 H GLN 83 15.672 10.067 -6.350 710 HA GLN 83 HA GLN 83 14.384 7.597 -6.203 711 HB2 GLN 83 HB3 GLN 83 16.274 7.912 -7.681 712 HB3 GLN 83 HB2 GLN 83 17.341 8.217 -6.315 713 HG2 GLN 83 HG3 GLN 83 16.698 5.864 -5.537 714 HG3 GLN 83 HG2 GLN 83 16.084 5.639 -7.172 715 HE21 GLN 83 HE22 GLN 83 18.299 4.403 -5.663 716 HE22 GLN 83 HE21 GLN 83 19.702 4.596 -6.671 717 H GLN 84 H GLN 84 16.434 9.236 -3.886 718 HA GLN 84 HA GLN 84 17.071 7.078 -2.240 719 HB2 GLN 84 HB3 GLN 84 16.716 9.990 -1.543 720 HB3 GLN 84 HB2 GLN 84 17.445 8.794 -0.479 721 HG2 GLN 84 HG3 GLN 84 19.189 8.381 -2.140 722 HG3 GLN 84 HG2 GLN 84 18.461 9.584 -3.199 723 HE21 GLN 84 HE22 GLN 84 21.121 9.486 -2.058 724 HE22 GLN 84 HE21 GLN 84 21.317 10.947 -1.154 725 H ARG 85 H ARG 85 14.064 8.755 -2.608 726 HA ARG 85 HA ARG 85 12.871 8.082 -0.139 727 HB2 ARG 85 HB3 ARG 85 11.509 8.259 -2.831 728 HB3 ARG 85 HB2 ARG 85 10.717 8.305 -1.267 729 HG2 ARG 85 HG3 ARG 85 12.024 10.412 -0.805 730 HG3 ARG 85 HG2 ARG 85 12.478 10.390 -2.513 731 HD2 ARG 85 HD3 ARG 85 9.765 10.728 -1.283 732 HD3 ARG 85 HD2 ARG 85 10.580 11.747 -2.470 733 HE ARG 85 HE ARG 85 10.261 9.365 -3.763 734 HH11 ARG 85 HH11 ARG 85 8.063 11.591 -2.173 735 HH12 ARG 85 HH12 ARG 85 6.701 11.135 -3.152 736 HH21 ARG 85 HH22 ARG 85 8.475 8.734 -4.996 737 HH22 ARG 85 HH21 ARG 85 6.917 9.496 -4.731 738 H ARG 86 H ARG 86 12.942 6.390 -3.272 739 HA ARG 86 HA ARG 86 11.341 4.233 -2.322 740 HB2 ARG 86 HB3 ARG 86 11.737 3.149 -4.428 741 HB3 ARG 86 HB2 ARG 86 11.478 4.857 -4.731 742 HG2 ARG 86 HG3 ARG 86 13.852 5.196 -5.045 743 HG3 ARG 86 HG2 ARG 86 14.168 3.509 -4.638 744 HD2 ARG 86 HD3 ARG 86 14.224 3.758 -7.029 745 HD3 ARG 86 HD2 ARG 86 12.796 2.828 -6.584 746 HE ARG 86 HE ARG 86 12.191 5.605 -6.811 747 HH11 ARG 86 HH11 ARG 86 12.740 2.702 -8.722 748 HH12 ARG 86 HH12 ARG 86 11.836 3.299 -10.082 749 HH21 ARG 86 HH22 ARG 86 11.019 6.359 -8.578 750 HH22 ARG 86 HH21 ARG 86 10.842 5.357 -10.006 751 H ASP 87 H ASP 87 14.805 4.799 -2.575 752 HA ASP 87 HA ASP 87 15.708 2.228 -1.911 753 HB2 ASP 87 HB3 ASP 87 16.828 4.981 -1.637 754 HB3 ASP 87 HB2 ASP 87 17.611 3.683 -0.745 755 H GLN 88 H GLN 88 15.141 5.013 0.220 756 HA GLN 88 HA GLN 88 15.556 3.676 2.652 757 HB2 GLN 88 HB3 GLN 88 15.601 6.074 2.570 758 HB3 GLN 88 HB2 GLN 88 13.963 6.142 1.944 759 HG2 GLN 88 HG3 GLN 88 13.896 6.797 4.218 760 HG3 GLN 88 HG2 GLN 88 13.170 5.196 4.104 761 HE21 GLN 88 HE22 GLN 88 14.240 3.438 4.995 762 HE22 GLN 88 HE21 GLN 88 15.530 3.625 6.138 763 H GLU 89 H GLU 89 12.618 4.198 0.749 764 HA GLU 89 HA GLU 89 10.888 3.162 2.746 765 HB2 GLU 89 HB3 GLU 89 10.407 4.672 0.628 766 HB3 GLU 89 HB2 GLU 89 10.092 3.113 -0.125 767 HG2 GLU 89 HG3 GLU 89 8.037 4.056 0.701 768 HG3 GLU 89 HG2 GLU 89 8.447 2.615 1.629 769 H LEU 90 H LEU 90 12.498 1.727 -0.076 770 HA LEU 90 HA LEU 90 11.288 -0.809 0.110 771 HB2 LEU 90 HB3 LEU 90 13.975 0.056 -0.930 772 HB3 LEU 90 HB2 LEU 90 13.474 -1.623 -0.945 773 HG LEU 90 HG LEU 90 12.057 0.634 -2.367 774 HD11 LEU 90 HD11 LEU 90 14.207 0.114 -3.381 775 HD12 LEU 90 HD12 LEU 90 12.880 -0.434 -4.407 776 HD13 LEU 90 HD13 LEU 90 13.780 -1.597 -3.434 777 HD21 LEU 90 HD21 LEU 90 10.522 -1.120 -1.662 778 HD22 LEU 90 HD22 LEU 90 11.562 -2.341 -2.394 779 HD23 LEU 90 HD23 LEU 90 10.748 -1.152 -3.410 780 H LYS 91 H LYS 91 14.018 0.633 1.793 781 HA LYS 91 HA LYS 91 14.891 -1.664 3.158 782 HB2 LYS 91 HB3 LYS 91 16.173 0.437 3.054 783 HB3 LYS 91 HB2 LYS 91 14.961 1.227 4.052 784 HG2 LYS 91 HG3 LYS 91 15.520 -0.163 5.926 785 HG3 LYS 91 HG2 LYS 91 16.618 -1.124 4.934 786 HD2 LYS 91 HD3 LYS 91 18.047 0.817 4.599 787 HD3 LYS 91 HD2 LYS 91 16.930 1.817 5.532 788 HE2 LYS 91 HE3 LYS 91 17.357 0.490 7.514 789 HE3 LYS 91 HE2 LYS 91 18.402 -0.589 6.595 790 HZ1 LYS 91 HZ1 LYS 91 18.917 2.310 6.986 791 HZ2 LYS 91 HZ2 LYS 91 19.953 1.183 6.250 792 HZ3 LYS 91 HZ3 LYS 91 19.623 1.077 7.910 793 H GLU 92 H GLU 92 12.252 0.563 3.718 794 HA GLU 92 HA GLU 92 11.476 -0.459 6.262 795 HB2 GLU 92 HB3 GLU 92 10.731 1.731 5.459 796 HB3 GLU 92 HB2 GLU 92 9.846 0.966 4.149 797 HG2 GLU 92 HG3 GLU 92 8.308 -0.032 5.684 798 HG3 GLU 92 HG2 GLU 92 9.263 0.509 7.065 799 H PHE 93 H PHE 93 10.322 -1.115 2.952 800 HA PHE 93 HA PHE 93 8.351 -2.992 3.596 801 HB2 PHE 93 HB3 PHE 93 10.062 -2.765 1.114 802 HB3 PHE 93 HB2 PHE 93 8.686 -3.849 1.255 803 HD1 PHE 93 HD1 PHE 93 6.415 -2.780 1.801 804 HD2 PHE 93 HD2 PHE 93 9.771 -0.594 0.380 805 HE1 PHE 93 HE1 PHE 93 4.920 -0.978 1.049 806 HE2 PHE 93 HE2 PHE 93 8.283 1.215 -0.370 807 HZ PHE 93 HZ PHE 93 5.852 1.024 -0.034 808 H LYS 94 H LYS 94 11.801 -3.427 3.016 809 HA LYS 94 HA LYS 94 11.699 -6.286 3.041 810 HB2 LYS 94 HB3 LYS 94 14.036 -4.389 3.320 811 HB3 LYS 94 HB2 LYS 94 14.171 -6.126 3.076 812 HG2 LYS 94 HG3 LYS 94 13.235 -5.975 0.897 813 HG3 LYS 94 HG2 LYS 94 12.772 -4.291 1.148 814 HD2 LYS 94 HD3 LYS 94 15.171 -3.707 1.349 815 HD3 LYS 94 HD2 LYS 94 15.580 -5.384 0.976 816 HE2 LYS 94 HE3 LYS 94 14.553 -5.195 -1.199 817 HE3 LYS 94 HE2 LYS 94 13.978 -3.571 -0.824 818 HZ1 LYS 94 HZ1 LYS 94 16.250 -2.805 -0.716 819 HZ2 LYS 94 HZ2 LYS 94 15.972 -3.555 -2.213 820 HZ3 LYS 94 HZ3 LYS 94 16.836 -4.373 -1.004 821 H ALA 95 H ALA 95 11.437 -4.052 5.505 822 HA ALA 95 HA ALA 95 12.792 -5.753 7.478 823 HB1 ALA 95 HB1 ALA 95 13.402 -3.383 7.472 824 HB2 ALA 95 HB2 ALA 95 12.628 -3.848 8.987 825 HB3 ALA 95 HB3 ALA 95 11.719 -2.949 7.772 826 H GLY 96 H GLY 96 9.849 -5.603 6.133 827 HA2 GLY 96 HA3 GLY 96 8.020 -6.898 7.015 828 HA3 GLY 96 HA2 GLY 96 8.518 -6.421 8.633 829 H PHE 97 H PHE 97 7.004 -5.349 5.675 830 HA PHE 97 HA PHE 97 6.473 -2.695 6.605 831 HB2 PHE 97 HB3 PHE 97 6.820 -3.298 4.220 832 HB3 PHE 97 HB2 PHE 97 5.311 -4.202 4.254 833 HD1 PHE 97 HD2 PHE 97 6.401 -0.812 5.365 834 HD2 PHE 97 HD1 PHE 97 3.626 -3.154 3.149 835 HE1 PHE 97 HE2 PHE 97 5.188 1.228 4.736 836 HE2 PHE 97 HE1 PHE 97 2.410 -1.116 2.513 837 HZ PHE 97 HZ PHE 97 3.192 1.080 3.306 838 H LEU 98 H LEU 98 4.740 -1.961 7.690 839 HA LEU 98 HA LEU 98 2.851 -3.783 8.782 840 HB2 LEU 98 HB3 LEU 98 3.638 -1.702 9.917 841 HB3 LEU 98 HB2 LEU 98 2.728 -0.765 8.748 842 HG LEU 98 HG LEU 98 0.637 -1.863 9.564 843 HD11 LEU 98 HD11 LEU 98 0.700 -3.060 11.688 844 HD12 LEU 98 HD12 LEU 98 2.461 -2.961 11.701 845 HD13 LEU 98 HD13 LEU 98 1.640 -3.899 10.454 846 HD21 LEU 98 HD21 LEU 98 0.514 -0.596 11.652 847 HD22 LEU 98 HD22 LEU 98 1.301 0.338 10.379 848 HD23 LEU 98 HD23 LEU 98 2.268 -0.413 11.649 849 H CYS 99 H CYS 99 1.537 -4.743 7.359 850 HA CYS 99 HA CYS 99 -0.134 -3.015 5.660 851 HB2 CYS 99 HB3 CYS 99 1.662 -4.202 4.362 852 HB3 CYS 99 HB2 CYS 99 0.963 -5.730 4.879 853 HG CYS 99 HG CYS 99 -1.292 -5.595 3.409 854 HA PRO 100 HA PRO 100 -3.436 -5.324 7.568 855 HB2 PRO 100 HB2 PRO 100 -5.399 -4.878 5.732 856 HB3 PRO 100 HB3 PRO 100 -4.880 -3.659 6.901 857 HG2 PRO 100 HG3 PRO 100 -4.177 -3.940 4.014 858 HG3 PRO 100 HG2 PRO 100 -4.505 -2.472 4.952 859 HD2 PRO 100 HD3 PRO 100 -1.992 -3.322 4.297 860 HD3 PRO 100 HD2 PRO 100 -2.358 -2.350 5.738 861 H ASP 101 H ASP 101 -3.928 -7.467 7.500 862 HA ASP 101 HA ASP 101 -2.999 -9.023 5.296 863 HB2 ASP 101 HB3 ASP 101 -2.988 -9.873 7.639 864 HB3 ASP 101 HB2 ASP 101 -4.748 -9.947 7.584 865 H LEU 102 H LEU 102 -4.025 -8.864 3.432 866 HA LEU 102 HA LEU 102 -6.729 -8.159 3.131 867 HB2 LEU 102 HB3 LEU 102 -4.859 -9.485 1.177 868 HB3 LEU 102 HB2 LEU 102 -6.423 -8.818 0.762 869 HG LEU 102 HG LEU 102 -4.008 -7.289 1.721 870 HD11 LEU 102 HD11 LEU 102 -3.875 -7.984 -0.588 871 HD12 LEU 102 HD12 LEU 102 -4.193 -6.249 -0.511 872 HD13 LEU 102 HD13 LEU 102 -5.500 -7.373 -0.894 873 HD21 LEU 102 HD21 LEU 102 -5.376 -5.280 1.396 874 HD22 LEU 102 HD22 LEU 102 -6.036 -6.313 2.665 875 HD23 LEU 102 HD23 LEU 102 -6.782 -6.292 1.066 876 H SER 103 H SER 103 -5.208 -11.206 3.656 877 HA SER 103 HA SER 103 -7.327 -12.755 2.482 878 HB2 SER 103 HB3 SER 103 -5.936 -14.614 3.778 879 HB3 SER 103 HB2 SER 103 -5.361 -13.917 2.265 880 HG SER 103 HG SER 103 -4.648 -12.936 4.847 881 H ASP 104 H ASP 104 -7.098 -11.041 5.273 882 HA ASP 104 HA ASP 104 -8.678 -12.919 6.852 883 HB2 ASP 104 HB3 ASP 104 -6.809 -11.611 7.914 884 HB3 ASP 104 HB2 ASP 104 -7.750 -10.149 7.633 885 H ALA 105 H ALA 105 -10.828 -12.808 6.921 886 HA ALA 105 HA ALA 105 -12.153 -11.000 5.148 887 HB1 ALA 105 HB1 ALA 105 -12.860 -13.329 5.381 888 HB2 ALA 105 HB2 ALA 105 -14.181 -12.217 5.742 889 HB3 ALA 105 HB3 ALA 105 -13.325 -13.025 7.055 890 H LYS 106 H LYS 106 -11.884 -11.285 8.660 891 HA LYS 106 HA LYS 106 -13.851 -9.313 9.241 892 HB2 LYS 106 HB3 LYS 106 -11.531 -10.358 10.872 893 HB3 LYS 106 HB2 LYS 106 -12.725 -9.223 11.490 894 HG2 LYS 106 HG3 LYS 106 -14.491 -10.857 11.109 895 HG3 LYS 106 HG2 LYS 106 -13.307 -11.993 10.464 896 HD2 LYS 106 HD3 LYS 106 -12.164 -12.031 12.627 897 HD3 LYS 106 HD2 LYS 106 -13.342 -10.885 13.271 898 HE2 LYS 106 HE3 LYS 106 -15.130 -12.486 12.919 899 HE3 LYS 106 HE2 LYS 106 -13.998 -13.620 12.185 900 HZ1 LYS 106 HZ1 LYS 106 -14.404 -14.253 14.437 901 HZ2 LYS 106 HZ2 LYS 106 -14.002 -12.708 15.014 902 HZ3 LYS 106 HZ3 LYS 106 -12.808 -13.698 14.323 903 H ASN 107 H ASN 107 -10.331 -9.246 8.906 904 HA ASN 107 HA ASN 107 -9.960 -6.508 9.361 905 HB2 ASN 107 HB3 ASN 107 -8.048 -7.964 9.268 906 HB3 ASN 107 HB2 ASN 107 -8.419 -8.431 7.611 907 HD21 ASN 107 HD22 ASN 107 -7.748 -7.161 5.951 908 HD22 ASN 107 HD21 ASN 107 -6.802 -5.731 6.155 909 H MET 108 H MET 108 -10.663 -8.256 6.342 910 HA MET 108 HA MET 108 -10.541 -6.008 4.660 911 HB2 MET 108 HB3 MET 108 -10.459 -8.245 3.747 912 HB3 MET 108 HB2 MET 108 -12.077 -8.586 4.342 913 HG2 MET 108 HG3 MET 108 -12.044 -8.134 1.938 914 HG3 MET 108 HG2 MET 108 -13.025 -6.970 2.824 915 HE1 MET 108 HE1 MET 108 -9.093 -7.182 2.419 916 HE2 MET 108 HE2 MET 108 -8.845 -6.069 1.068 917 HE3 MET 108 HE3 MET 108 -9.716 -7.588 0.821 918 H GLU 109 H GLU 109 -13.210 -7.296 6.603 919 HA GLU 109 HA GLU 109 -15.194 -5.659 5.405 920 HB2 GLU 109 HB3 GLU 109 -15.829 -7.617 6.710 921 HB3 GLU 109 HB2 GLU 109 -15.156 -6.889 8.166 922 HG2 GLU 109 HG3 GLU 109 -16.820 -5.227 8.231 923 HG3 GLU 109 HG2 GLU 109 -17.350 -5.584 6.589 924 H PHE 110 H PHE 110 -13.186 -5.253 8.307 925 HA PHE 110 HA PHE 110 -14.144 -2.689 8.994 926 HB2 PHE 110 HB3 PHE 110 -11.635 -4.215 9.583 927 HB3 PHE 110 HB2 PHE 110 -11.723 -2.510 10.004 928 HD1 PHE 110 HD1 PHE 110 -13.527 -5.730 10.476 929 HD2 PHE 110 HD2 PHE 110 -12.648 -1.859 12.003 930 HE1 PHE 110 HE1 PHE 110 -14.682 -6.302 12.573 931 HE2 PHE 110 HE2 PHE 110 -13.803 -2.421 14.104 932 HZ PHE 110 HZ PHE 110 -14.820 -4.645 14.389 933 H LEU 111 H LEU 111 -11.669 -3.798 6.782 934 HA LEU 111 HA LEU 111 -10.586 -1.281 6.115 935 HB2 LEU 111 HB3 LEU 111 -9.467 -3.402 5.643 936 HB3 LEU 111 HB2 LEU 111 -10.741 -3.849 4.529 937 HG LEU 111 HG LEU 111 -9.272 -1.340 3.928 938 HD11 LEU 111 HD11 LEU 111 -7.467 -2.826 4.618 939 HD12 LEU 111 HD12 LEU 111 -7.448 -2.582 2.872 940 HD13 LEU 111 HD13 LEU 111 -8.081 -4.084 3.545 941 HD21 LEU 111 HD21 LEU 111 -10.221 -3.667 2.264 942 HD22 LEU 111 HD22 LEU 111 -9.533 -2.166 1.647 943 HD23 LEU 111 HD23 LEU 111 -11.079 -2.144 2.494 944 H ARG 112 H ARG 112 -13.150 -3.234 4.624 945 HA ARG 112 HA ARG 112 -13.836 -1.499 2.532 946 HB2 ARG 112 HB3 ARG 112 -14.673 -3.771 2.601 947 HB3 ARG 112 HB2 ARG 112 -15.531 -3.452 4.103 948 HG2 ARG 112 HG3 ARG 112 -16.798 -1.667 2.741 949 HG3 ARG 112 HG2 ARG 112 -16.175 -2.526 1.332 950 HD2 ARG 112 HD3 ARG 112 -18.427 -3.281 1.956 951 HD3 ARG 112 HD2 ARG 112 -17.235 -4.574 2.075 952 HE ARG 112 HE ARG 112 -17.745 -4.757 4.281 953 HH11 ARG 112 HH11 ARG 112 -18.736 -1.553 3.233 954 HH12 ARG 112 HH12 ARG 112 -19.361 -1.100 4.789 955 HH21 ARG 112 HH22 ARG 112 -18.603 -4.159 6.316 956 HH22 ARG 112 HH21 ARG 112 -19.295 -2.583 6.533 957 H ASN 113 H ASN 113 -14.532 -1.383 5.917 958 HA ASN 113 HA ASN 113 -16.603 0.664 5.515 959 HB2 ASN 113 HB3 ASN 113 -16.847 -1.602 6.902 960 HB3 ASN 113 HB2 ASN 113 -16.136 -0.611 8.171 961 HD21 ASN 113 HD22 ASN 113 -17.319 1.044 9.060 962 HD22 ASN 113 HD21 ASN 113 -19.010 1.262 8.752 963 H TRP 114 H TRP 114 -13.583 0.909 5.550 964 HA TRP 114 HA TRP 114 -12.833 2.309 7.902 965 HB2 TRP 114 HB3 TRP 114 -11.221 1.208 6.384 966 HB3 TRP 114 HB2 TRP 114 -11.608 2.378 5.131 967 HD1 TRP 114 HD1 TRP 114 -10.033 2.315 8.680 968 HE1 TRP 114 HE1 TRP 114 -8.275 4.199 8.793 969 HE3 TRP 114 HE3 TRP 114 -10.785 4.426 4.083 970 HZ2 TRP 114 HZ2 TRP 114 -7.337 6.286 7.164 971 HZ3 TRP 114 HZ3 TRP 114 -9.412 6.363 3.439 972 HH2 TRP 114 HH2 TRP 114 -7.724 7.273 4.948 973 H ASN 115 H ASN 115 -12.702 4.479 8.312 974 HA ASN 115 HA ASN 115 -13.855 6.335 6.344 975 HB2 ASN 115 HB3 ASN 115 -14.449 6.273 9.317 976 HB3 ASN 115 HB2 ASN 115 -14.921 7.576 8.236 977 HD21 ASN 115 HD22 ASN 115 -15.598 4.400 9.347 978 HD22 ASN 115 HD21 ASN 115 -17.084 4.181 8.490 979 H GLY 116 H GLY 116 -13.502 8.703 7.579 980 HA2 GLY 116 HA3 GLY 116 -10.649 9.029 7.678 981 HA3 GLY 116 HA2 GLY 116 -11.854 10.278 7.974 982 H THR 117 H THR 117 -10.665 7.292 9.475 983 HA THR 117 HA THR 117 -10.717 8.641 12.090 984 HB THR 117 HB THR 117 -11.616 5.794 11.584 985 HG1 THR 117 HG1 THR 117 -12.950 8.199 11.410 986 HG21 THR 117 HG21 THR 117 -10.741 6.171 13.836 987 HG22 THR 117 HG22 THR 117 -12.488 5.927 13.874 988 HG23 THR 117 HG23 THR 117 -11.821 7.552 14.034 989 H PHE 118 H PHE 118 -8.747 8.579 12.976 990 HA PHE 118 HA PHE 118 -6.686 6.919 11.846 991 HB2 PHE 118 HB3 PHE 118 -6.587 8.754 14.254 992 HB3 PHE 118 HB2 PHE 118 -5.198 8.051 13.431 993 HD1 PHE 118 HD1 PHE 118 -4.707 8.733 11.075 994 HD2 PHE 118 HD2 PHE 118 -7.583 10.740 13.483 995 HE1 PHE 118 HE1 PHE 118 -4.611 10.673 9.565 996 HE2 PHE 118 HE2 PHE 118 -7.494 12.685 11.977 997 HZ PHE 118 HZ PHE 118 -6.007 12.652 10.015 998 H GLY 119 H GLY 119 -8.648 6.965 14.741 999 HA2 GLY 119 HA3 GLY 119 -7.195 4.967 16.157 1000 HA3 GLY 119 HA2 GLY 119 -8.841 5.484 16.494 1001 H LEU 120 H LEU 120 -9.188 4.773 13.439 1002 HA LEU 120 HA LEU 120 -10.369 2.218 13.909 1003 HB2 LEU 120 HB3 LEU 120 -10.914 4.142 12.163 1004 HB3 LEU 120 HB2 LEU 120 -9.813 3.231 11.152 1005 HG LEU 120 HG LEU 120 -12.240 1.975 12.429 1006 HD11 LEU 120 HD11 LEU 120 -12.978 3.836 11.043 1007 HD12 LEU 120 HD12 LEU 120 -13.378 2.292 10.291 1008 HD13 LEU 120 HD13 LEU 120 -12.009 3.231 9.698 1009 HD21 LEU 120 HD21 LEU 120 -10.529 1.186 10.069 1010 HD22 LEU 120 HD22 LEU 120 -11.970 0.333 10.625 1011 HD23 LEU 120 HD23 LEU 120 -10.541 0.411 11.654 1012 H LEU 121 H LEU 121 -7.273 3.334 12.926 1013 HA LEU 121 HA LEU 121 -6.376 1.043 11.527 1014 HB2 LEU 121 HB3 LEU 121 -4.968 3.281 12.951 1015 HB3 LEU 121 HB2 LEU 121 -4.064 1.925 12.311 1016 HG LEU 121 HG LEU 121 -3.988 3.778 10.757 1017 HD11 LEU 121 HD11 LEU 121 -4.830 2.671 8.747 1018 HD12 LEU 121 HD12 LEU 121 -5.752 1.554 9.752 1019 HD13 LEU 121 HD13 LEU 121 -3.990 1.546 9.814 1020 HD21 LEU 121 HD21 LEU 121 -6.998 3.610 10.691 1021 HD22 LEU 121 HD22 LEU 121 -5.997 4.619 9.647 1022 HD23 LEU 121 HD23 LEU 121 -6.043 4.921 11.384 1023 H ASN 122 H ASN 122 -6.756 1.793 14.885 1024 HA ASN 122 HA ASN 122 -5.125 -0.382 15.823 1025 HB2 ASN 122 HB3 ASN 122 -7.131 1.388 17.227 1026 HB3 ASN 122 HB2 ASN 122 -6.194 0.139 18.040 1027 HD21 ASN 122 HD22 ASN 122 -3.984 0.417 18.320 1028 HD22 ASN 122 HD21 ASN 122 -3.224 1.969 18.144 1029 H THR 123 H THR 123 -8.257 -0.105 14.551 1030 HA THR 123 HA THR 123 -9.150 -2.542 15.905 1031 HB THR 123 HB THR 123 -11.376 -2.079 14.983 1032 HG1 THR 123 HG1 THR 123 -10.002 -0.435 13.347 1033 HG21 THR 123 HG21 THR 123 -11.863 -0.052 16.263 1034 HG22 THR 123 HG22 THR 123 -10.141 0.329 16.322 1035 HG23 THR 123 HG23 THR 123 -10.756 -1.106 17.144 1036 H LEU 124 H LEU 124 -7.375 -1.813 13.323 1037 HA LEU 124 HA LEU 124 -8.541 -3.803 11.527 1038 HB2 LEU 124 HB3 LEU 124 -6.410 -1.713 11.187 1039 HB3 LEU 124 HB2 LEU 124 -6.643 -2.991 10.010 1040 HG LEU 124 HG LEU 124 -8.834 -1.079 10.806 1041 HD11 LEU 124 HD11 LEU 124 -8.361 0.107 8.730 1042 HD12 LEU 124 HD12 LEU 124 -6.956 -0.925 8.455 1043 HD13 LEU 124 HD13 LEU 124 -6.987 0.177 9.832 1044 HD21 LEU 124 HD21 LEU 124 -8.495 -2.942 8.461 1045 HD22 LEU 124 HD22 LEU 124 -9.852 -1.845 8.719 1046 HD23 LEU 124 HD23 LEU 124 -9.576 -3.185 9.833 1047 H ARG 125 H ARG 125 -7.340 -5.593 10.784 1048 HA ARG 125 HA ARG 125 -5.362 -6.530 12.685 1049 HB2 ARG 125 HB3 ARG 125 -6.762 -7.862 10.373 1050 HB3 ARG 125 HB2 ARG 125 -5.432 -8.630 11.230 1051 HG2 ARG 125 HG3 ARG 125 -6.741 -8.405 13.335 1052 HG3 ARG 125 HG2 ARG 125 -8.093 -7.805 12.374 1053 HD2 ARG 125 HD3 ARG 125 -8.248 -9.870 11.179 1054 HD3 ARG 125 HD2 ARG 125 -6.755 -10.461 11.904 1055 HE ARG 125 HE ARG 125 -8.997 -9.861 13.692 1056 HH11 ARG 125 HH11 ARG 125 -7.033 -12.245 12.034 1057 HH12 ARG 125 HH12 ARG 125 -7.554 -13.565 13.036 1058 HH21 ARG 125 HH22 ARG 125 -9.685 -11.603 15.016 1059 HH22 ARG 125 HH21 ARG 125 -9.044 -13.197 14.746 1060 H LEU 126 H LEU 126 -3.891 -4.846 12.088 1061 HA LEU 126 HA LEU 126 -2.566 -5.055 9.515 1062 HB2 LEU 126 HB3 LEU 126 -2.095 -3.256 11.895 1063 HB3 LEU 126 HB2 LEU 126 -1.214 -3.152 10.383 1064 HG LEU 126 HG LEU 126 -4.202 -2.886 10.449 1065 HD11 LEU 126 HD11 LEU 126 -2.188 -0.676 10.808 1066 HD12 LEU 126 HD12 LEU 126 -3.332 -1.250 12.023 1067 HD13 LEU 126 HD13 LEU 126 -3.921 -0.468 10.556 1068 HD21 LEU 126 HD21 LEU 126 -2.078 -1.877 8.565 1069 HD22 LEU 126 HD22 LEU 126 -3.817 -1.629 8.394 1070 HD23 LEU 126 HD23 LEU 126 -3.142 -3.255 8.285 1071 H ILE 127 H ILE 127 -0.818 -6.237 9.174 1072 HA ILE 127 HA ILE 127 0.755 -7.126 11.501 1073 HB ILE 127 HB ILE 127 1.183 -9.252 10.304 1074 HG12 ILE 127 HG13 ILE 127 -0.957 -8.268 8.401 1075 HG13 ILE 127 HG12 ILE 127 0.752 -8.435 8.016 1076 HG21 ILE 127 HG21 ILE 127 -1.729 -8.645 10.801 1077 HG22 ILE 127 HG22 ILE 127 -0.548 -9.166 12.003 1078 HG23 ILE 127 HG23 ILE 127 -1.023 -10.258 10.702 1079 HD11 ILE 127 HD11 ILE 127 -1.122 -10.674 8.744 1080 HD12 ILE 127 HD12 ILE 127 0.592 -10.845 8.363 1081 HD13 ILE 127 HD13 ILE 127 -0.535 -10.285 7.126 1082 H ARG 128 H ARG 128 2.935 -8.103 10.592 1083 HA ARG 128 HA ARG 128 4.054 -6.061 8.827 1084 HB2 ARG 128 HB3 ARG 128 5.272 -7.964 10.813 1085 HB3 ARG 128 HB2 ARG 128 6.263 -7.174 9.592 1086 HG2 ARG 128 HG3 ARG 128 5.754 -5.023 10.443 1087 HG3 ARG 128 HG2 ARG 128 4.485 -5.662 11.486 1088 HD2 ARG 128 HD3 ARG 128 7.405 -6.365 11.749 1089 HD3 ARG 128 HD2 ARG 128 6.612 -5.082 12.664 1090 HE ARG 128 HE ARG 128 6.229 -7.962 12.988 1091 HH11 ARG 128 HH11 ARG 128 5.374 -4.704 13.940 1092 HH12 ARG 128 HH12 ARG 128 4.561 -5.201 15.391 1093 HH21 ARG 128 HH22 ARG 128 5.188 -8.620 14.900 1094 HH22 ARG 128 HH21 ARG 128 4.451 -7.435 15.936 1095 H ILE 129 H ILE 129 4.271 -6.492 6.786 1096 HA ILE 129 HA ILE 129 4.504 -9.299 5.920 1097 HB ILE 129 HB ILE 129 2.985 -7.039 4.607 1098 HG12 ILE 129 HG13 ILE 129 2.043 -9.631 5.848 1099 HG13 ILE 129 HG12 ILE 129 1.800 -8.014 6.501 1100 HG21 ILE 129 HG21 ILE 129 4.042 -8.406 2.908 1101 HG22 ILE 129 HG22 ILE 129 2.300 -8.678 2.917 1102 HG23 ILE 129 HG23 ILE 129 3.382 -9.865 3.646 1103 HD11 ILE 129 HD11 ILE 129 0.662 -9.054 3.916 1104 HD12 ILE 129 HD12 ILE 129 0.403 -7.444 4.592 1105 HD13 ILE 129 HD13 ILE 129 -0.214 -8.866 5.437 1106 H ASN 130 H ASN 130 6.167 -9.743 4.588 1107 HA ASN 130 HA ASN 130 7.999 -7.703 3.762 1108 HB2 ASN 130 HB3 ASN 130 8.811 -9.971 4.181 1109 HB3 ASN 130 HB2 ASN 130 7.764 -10.605 2.917 1110 HD21 ASN 130 HD22 ASN 130 10.639 -8.762 3.599 1111 HD22 ASN 130 HD21 ASN 130 11.298 -8.825 2.002 1112 H ASP 131 H ASP 131 8.469 -7.152 1.550 1113 HA ASP 131 HA ASP 131 6.342 -6.027 0.261 1114 HB2 ASP 131 HB3 ASP 131 7.869 -5.771 -1.704 1115 HB3 ASP 131 HB2 ASP 131 8.557 -5.258 -0.167 1116 H LYS 132 H LYS 132 7.263 -9.352 -0.046 1117 HA LYS 132 HA LYS 132 5.817 -9.644 -2.573 1118 HB2 LYS 132 HB3 LYS 132 7.238 -11.770 -0.964 1119 HB3 LYS 132 HB2 LYS 132 6.721 -11.876 -2.643 1120 HG2 LYS 132 HG3 LYS 132 8.393 -10.451 -3.378 1121 HG3 LYS 132 HG2 LYS 132 8.669 -9.790 -1.765 1122 HD2 LYS 132 HD3 LYS 132 9.441 -12.116 -1.108 1123 HD3 LYS 132 HD2 LYS 132 9.452 -12.487 -2.835 1124 HE2 LYS 132 HE3 LYS 132 11.661 -11.778 -1.976 1125 HE3 LYS 132 HE2 LYS 132 11.038 -10.729 -3.252 1126 HZ1 LYS 132 HZ1 LYS 132 11.992 -9.472 -1.403 1127 HZ2 LYS 132 HZ2 LYS 132 10.866 -10.158 -0.340 1128 HZ3 LYS 132 HZ3 LYS 132 10.339 -9.136 -1.587 1129 H GLY 133 H GLY 133 4.831 -9.398 0.465 1130 HA2 GLY 133 HA3 GLY 133 2.747 -9.989 1.353 1131 HA3 GLY 133 HA2 GLY 133 2.555 -11.168 0.059 1132 H GLU 134 H GLU 134 5.391 -10.906 2.095 1133 HA GLU 134 HA GLU 134 4.928 -13.689 2.904 1134 HB2 GLU 134 HB3 GLU 134 7.458 -12.046 3.122 1135 HB3 GLU 134 HB2 GLU 134 7.305 -13.769 3.444 1136 HG2 GLU 134 HG3 GLU 134 6.637 -14.086 1.067 1137 HG3 GLU 134 HG2 GLU 134 6.997 -12.383 0.791 1138 H GLN 135 H GLN 135 5.030 -14.352 5.053 1139 HA GLN 135 HA GLN 135 3.898 -12.415 6.843 1140 HB2 GLN 135 HB3 GLN 135 3.101 -14.764 6.687 1141 HB3 GLN 135 HB2 GLN 135 4.633 -15.300 7.362 1142 HG2 GLN 135 HG3 GLN 135 2.921 -15.262 9.066 1143 HG3 GLN 135 HG2 GLN 135 4.162 -14.057 9.415 1144 HE21 GLN 135 HE22 GLN 135 2.796 -12.827 10.691 1145 HE22 GLN 135 HE21 GLN 135 1.504 -11.889 10.029 1146 H VAL 136 H VAL 136 5.016 -11.122 8.114 1147 HA VAL 136 HA VAL 136 7.583 -12.076 9.223 1148 HB VAL 136 HB VAL 136 6.728 -9.190 8.908 1149 HG11 VAL 136 HG11 VAL 136 9.398 -10.425 9.570 1150 HG12 VAL 136 HG12 VAL 136 8.339 -9.559 10.685 1151 HG13 VAL 136 HG13 VAL 136 9.092 -8.704 9.339 1152 HG21 VAL 136 HG21 VAL 136 8.538 -10.828 7.135 1153 HG22 VAL 136 HG22 VAL 136 8.350 -9.075 7.049 1154 HG23 VAL 136 HG23 VAL 136 6.979 -10.127 6.698 1155 H VAL 137 H VAL 137 7.418 -12.589 11.324 1156 HA VAL 137 HA VAL 137 5.103 -11.714 12.820 1157 HB VAL 137 HB VAL 137 7.359 -13.505 13.725 1158 HG11 VAL 137 HG11 VAL 137 6.149 -12.506 15.582 1159 HG12 VAL 137 HG12 VAL 137 5.773 -14.225 15.457 1160 HG13 VAL 137 HG13 VAL 137 4.615 -13.025 14.884 1161 HG21 VAL 137 HG21 VAL 137 5.803 -15.355 13.278 1162 HG22 VAL 137 HG22 VAL 137 6.208 -14.467 11.809 1163 HG23 VAL 137 HG23 VAL 137 4.650 -14.210 12.593 1164 H GLY 138 H GLY 138 8.499 -11.926 13.829 1165 HA2 GLY 138 HA3 GLY 138 8.719 -9.169 14.499 1166 HA3 GLY 138 HA2 GLY 138 8.304 -10.115 15.921 1167 H GLY 139 H GLY 139 10.660 -9.815 13.312 1168 HA2 GLY 139 HA3 GLY 139 12.737 -10.633 15.216 1169 HA3 GLY 139 HA2 GLY 139 12.640 -11.461 13.667 1170 H ASN 140 H ASN 140 11.904 -8.076 14.049 1171 HA ASN 140 HA ASN 140 14.386 -7.426 12.595 1172 HB2 ASN 140 HB3 ASN 140 12.622 -7.273 10.993 1173 HB3 ASN 140 HB2 ASN 140 11.581 -6.412 12.120 1174 HD21 ASN 140 HD22 ASN 140 11.791 -4.232 12.352 1175 HD22 ASN 140 HD21 ASN 140 12.840 -3.266 11.380 1176 H GLU 141 H GLU 141 11.994 -6.461 14.935 1177 HA GLU 141 HA GLU 141 13.321 -3.946 15.518 1178 HB2 GLU 141 HB3 GLU 141 10.954 -5.259 16.867 1179 HB3 GLU 141 HB2 GLU 141 11.477 -3.591 17.069 1180 HG2 GLU 141 HG3 GLU 141 10.743 -2.968 14.966 1181 HG3 GLU 141 HG2 GLU 141 10.744 -4.626 14.365 Start of MODEL 14 1 H MET 1 H MET 1 26.362 4.346 11.766 2 HA MET 1 HA MET 1 26.319 7.309 11.769 3 HB2 MET 1 HB3 MET 1 24.168 5.265 11.200 4 HB3 MET 1 HB2 MET 1 23.837 6.962 11.510 5 HG2 MET 1 HG3 MET 1 25.207 7.557 9.552 6 HG3 MET 1 HG2 MET 1 25.446 5.842 9.228 7 HE1 MET 1 HE1 MET 1 23.002 6.972 6.372 8 HE2 MET 1 HE2 MET 1 24.557 6.230 6.750 9 HE3 MET 1 HE3 MET 1 24.289 7.939 7.093 10 H ARG 2 H ARG 2 25.259 8.271 13.513 11 HA ARG 2 HA ARG 2 24.966 6.509 15.865 12 HB2 ARG 2 HB3 ARG 2 26.908 8.025 15.994 13 HB3 ARG 2 HB2 ARG 2 25.844 9.401 15.762 14 HG2 ARG 2 HG3 ARG 2 24.825 9.087 17.879 15 HG3 ARG 2 HG2 ARG 2 25.592 7.510 18.084 16 HD2 ARG 2 HD3 ARG 2 27.039 10.153 17.922 17 HD3 ARG 2 HD2 ARG 2 26.704 9.261 19.407 18 HE ARG 2 HE ARG 2 28.030 7.485 17.798 19 HH11 ARG 2 HH11 ARG 2 28.760 10.678 19.059 20 HH12 ARG 2 HH12 ARG 2 30.477 10.387 19.124 21 HH21 ARG 2 HH22 ARG 2 30.262 7.105 17.912 22 HH22 ARG 2 HH21 ARG 2 31.325 8.355 18.494 23 H GLU 3 H GLU 3 23.611 9.046 13.932 24 HA GLU 3 HA GLU 3 21.564 9.919 15.660 25 HB2 GLU 3 HB3 GLU 3 21.108 9.774 12.704 26 HB3 GLU 3 HB2 GLU 3 20.664 11.042 13.833 27 HG2 GLU 3 HG3 GLU 3 22.343 12.037 12.619 28 HG3 GLU 3 HG2 GLU 3 23.221 11.425 14.021 29 H ASP 4 H ASP 4 21.603 7.452 13.121 30 HA ASP 4 HA ASP 4 19.023 6.415 13.987 31 HB2 ASP 4 HB3 ASP 4 19.662 6.583 11.552 32 HB3 ASP 4 HB2 ASP 4 20.872 5.339 11.843 33 H LYS 5 H LYS 5 18.814 4.715 15.346 34 HA LYS 5 HA LYS 5 21.324 3.724 16.486 35 HB2 LYS 5 HB3 LYS 5 19.609 4.894 17.909 36 HB3 LYS 5 HB2 LYS 5 18.541 3.526 17.637 37 HG2 LYS 5 HG3 LYS 5 20.096 2.046 18.742 38 HG3 LYS 5 HG2 LYS 5 21.250 3.367 18.938 39 HD2 LYS 5 HD3 LYS 5 19.605 4.567 20.324 40 HD3 LYS 5 HD2 LYS 5 18.494 3.206 20.157 41 HE2 LYS 5 HE3 LYS 5 20.144 1.744 21.232 42 HE3 LYS 5 HE2 LYS 5 21.230 3.121 21.423 43 HZ1 LYS 5 HZ1 LYS 5 18.509 2.956 22.601 44 HZ2 LYS 5 HZ2 LYS 5 19.660 4.172 22.874 45 HZ3 LYS 5 HZ3 LYS 5 19.938 2.596 23.437 46 H ILE 6 H ILE 6 21.729 1.545 16.841 47 HA ILE 6 HA ILE 6 20.439 -0.240 14.961 48 HB ILE 6 HB ILE 6 22.695 -0.762 16.911 49 HG12 ILE 6 HG13 ILE 6 22.752 -0.206 13.933 50 HG13 ILE 6 HG12 ILE 6 23.224 0.934 15.188 51 HG21 ILE 6 HG21 ILE 6 21.694 -2.419 14.595 52 HG22 ILE 6 HG22 ILE 6 21.549 -2.820 16.307 53 HG23 ILE 6 HG23 ILE 6 23.140 -2.755 15.548 54 HD11 ILE 6 HD11 ILE 6 25.044 -0.546 15.850 55 HD12 ILE 6 HD12 ILE 6 25.161 -0.092 14.150 56 HD13 ILE 6 HD13 ILE 6 24.569 -1.693 14.596 57 H ALA 7 H ALA 7 20.649 0.191 18.442 58 HA ALA 7 HA ALA 7 19.224 -2.187 19.117 59 HB1 ALA 7 HB1 ALA 7 20.720 -1.094 20.710 60 HB2 ALA 7 HB2 ALA 7 19.085 -1.228 21.359 61 HB3 ALA 7 HB3 ALA 7 19.665 0.318 20.739 62 H ALA 8 H ALA 8 17.098 -2.550 19.145 63 HA ALA 8 HA ALA 8 15.363 -0.626 17.937 64 HB1 ALA 8 HB1 ALA 8 14.684 -3.288 19.175 65 HB2 ALA 8 HB2 ALA 8 15.166 -3.030 17.499 66 HB3 ALA 8 HB3 ALA 8 13.658 -2.342 18.098 67 H LYS 9 H LYS 9 13.244 -0.069 18.829 68 HA LYS 9 HA LYS 9 13.254 0.327 21.744 69 HB2 LYS 9 HB3 LYS 9 13.942 2.400 20.526 70 HB3 LYS 9 HB2 LYS 9 12.413 2.362 19.665 71 HG2 LYS 9 HG3 LYS 9 11.255 2.554 21.871 72 HG3 LYS 9 HG2 LYS 9 12.841 2.807 22.608 73 HD2 LYS 9 HD3 LYS 9 13.194 4.751 21.144 74 HD3 LYS 9 HD2 LYS 9 11.593 4.505 20.447 75 HE2 LYS 9 HE3 LYS 9 11.321 6.199 22.050 76 HE3 LYS 9 HE2 LYS 9 10.690 4.737 22.803 77 HZ1 LYS 9 HZ1 LYS 9 13.368 5.938 23.280 78 HZ2 LYS 9 HZ2 LYS 9 12.807 4.498 23.985 79 HZ3 LYS 9 HZ3 LYS 9 12.049 5.974 24.343 80 H LYS 10 H LYS 10 11.319 -0.102 22.714 81 HA LYS 10 HA LYS 10 9.379 -1.607 21.397 82 HB2 LYS 10 HB3 LYS 10 9.343 -0.140 24.017 83 HB3 LYS 10 HB2 LYS 10 7.934 -1.023 23.448 84 HG2 LYS 10 HG3 LYS 10 9.296 -3.068 23.322 85 HG3 LYS 10 HG2 LYS 10 10.670 -2.167 23.967 86 HD2 LYS 10 HD3 LYS 10 9.509 -1.764 26.031 87 HD3 LYS 10 HD2 LYS 10 8.022 -2.460 25.382 88 HE2 LYS 10 HE3 LYS 10 9.150 -4.038 26.856 89 HE3 LYS 10 HE2 LYS 10 9.116 -4.636 25.198 90 HZ1 LYS 10 HZ1 LYS 10 11.270 -5.019 26.114 91 HZ2 LYS 10 HZ2 LYS 10 11.423 -3.400 26.595 92 HZ3 LYS 10 HZ3 LYS 10 11.414 -3.795 24.949 93 H LYS 11 H LYS 11 9.312 1.851 22.201 94 HA LYS 11 HA LYS 11 6.757 2.143 20.876 95 HB2 LYS 11 HB3 LYS 11 7.403 3.484 22.912 96 HB3 LYS 11 HB2 LYS 11 8.559 4.340 21.900 97 HG2 LYS 11 HG3 LYS 11 6.800 5.210 20.523 98 HG3 LYS 11 HG2 LYS 11 5.601 4.225 21.360 99 HD2 LYS 11 HD3 LYS 11 6.130 5.449 23.451 100 HD3 LYS 11 HD2 LYS 11 7.216 6.488 22.527 101 HE2 LYS 11 HE3 LYS 11 5.025 7.534 22.859 102 HE3 LYS 11 HE2 LYS 11 5.360 7.245 21.153 103 HZ1 LYS 11 HZ1 LYS 11 3.907 5.381 21.149 104 HZ2 LYS 11 HZ2 LYS 11 3.067 6.657 21.884 105 HZ3 LYS 11 HZ3 LYS 11 3.729 5.415 22.833 106 H LEU 12 H LEU 12 6.748 2.023 18.755 107 HA LEU 12 HA LEU 12 9.123 2.439 17.207 108 HB2 LEU 12 HB3 LEU 12 6.298 1.874 16.309 109 HB3 LEU 12 HB2 LEU 12 7.737 1.751 15.314 110 HG LEU 12 HG LEU 12 7.194 0.055 17.751 111 HD11 LEU 12 HD11 LEU 12 6.943 -0.621 14.826 112 HD12 LEU 12 HD12 LEU 12 5.612 -0.441 15.970 113 HD13 LEU 12 HD13 LEU 12 6.774 -1.753 16.168 114 HD21 LEU 12 HD21 LEU 12 9.068 -1.288 16.927 115 HD22 LEU 12 HD22 LEU 12 9.566 0.362 17.301 116 HD23 LEU 12 HD23 LEU 12 9.322 -0.127 15.624 117 H HIS 13 H HIS 13 9.060 3.757 15.178 118 HA HIS 13 HA HIS 13 8.010 6.411 15.850 119 HB2 HIS 13 HB3 HIS 13 10.206 5.514 13.985 120 HB3 HIS 13 HB2 HIS 13 9.598 7.164 14.009 121 HD1 HIS 13 HD1 HIS 13 10.433 8.695 15.831 122 HD2 HIS 13 HD2 HIS 13 11.639 4.747 16.335 123 HE1 HIS 13 HE1 HIS 13 12.157 8.740 17.665 124 HE2 HIS 13 HE2 HIS 13 13.077 6.392 17.722 125 H GLN 14 H GLN 14 6.885 3.889 14.215 126 HA GLN 14 HA GLN 14 5.637 5.564 12.154 127 HB2 GLN 14 HB3 GLN 14 7.592 3.991 11.373 128 HB3 GLN 14 HB2 GLN 14 6.373 2.731 11.517 129 HG2 GLN 14 HG3 GLN 14 6.327 3.396 9.272 130 HG3 GLN 14 HG2 GLN 14 4.919 4.157 10.015 131 HE21 GLN 14 HE22 GLN 14 4.780 5.794 8.518 132 HE22 GLN 14 HE21 GLN 14 5.957 7.073 8.419 133 H ASP 15 H ASP 15 3.676 5.636 13.191 134 HA ASP 15 HA ASP 15 2.001 3.348 12.876 135 HB2 ASP 15 HB3 ASP 15 1.291 3.123 15.219 136 HB3 ASP 15 HB2 ASP 15 2.996 2.737 15.028 137 H LYS 16 H LYS 16 -0.006 3.951 12.480 138 HA LYS 16 HA LYS 16 -1.857 5.206 12.138 139 HB2 LYS 16 HB3 LYS 16 -0.869 6.667 14.587 140 HB3 LYS 16 HB2 LYS 16 -2.401 7.012 13.802 141 HG2 LYS 16 HG3 LYS 16 -3.103 5.611 15.446 142 HG3 LYS 16 HG2 LYS 16 -2.788 4.436 14.170 143 HD2 LYS 16 HD3 LYS 16 -0.673 3.865 15.126 144 HD3 LYS 16 HD2 LYS 16 -0.784 5.189 16.289 145 HE2 LYS 16 HE3 LYS 16 -2.815 4.091 17.231 146 HE3 LYS 16 HE2 LYS 16 -2.509 2.722 16.162 147 HZ1 LYS 16 HZ1 LYS 16 -1.643 2.412 18.430 148 HZ2 LYS 16 HZ2 LYS 16 -0.590 3.723 18.197 149 HZ3 LYS 16 HZ3 LYS 16 -0.429 2.322 17.249 150 H ARG 17 H ARG 17 0.788 5.969 10.949 151 HA ARG 17 HA ARG 17 0.379 8.840 10.563 152 HB2 ARG 17 HB3 ARG 17 2.601 7.027 9.600 153 HB3 ARG 17 HB2 ARG 17 2.546 8.774 9.393 154 HG2 ARG 17 HG3 ARG 17 2.708 9.123 11.756 155 HG3 ARG 17 HG2 ARG 17 2.549 7.394 12.069 156 HD2 ARG 17 HD3 ARG 17 4.868 8.115 12.263 157 HD3 ARG 17 HD2 ARG 17 4.663 6.987 10.924 158 HE ARG 17 HE ARG 17 4.489 9.253 9.612 159 HH11 ARG 17 HH11 ARG 17 6.682 8.387 12.190 160 HH12 ARG 17 HH12 ARG 17 7.943 9.454 11.653 161 HH21 ARG 17 HH22 ARG 17 6.155 10.624 8.867 162 HH22 ARG 17 HH21 ARG 17 7.649 10.725 9.754 163 H VAL 18 H VAL 18 0.454 9.682 8.336 164 HA VAL 18 HA VAL 18 -1.555 8.504 6.759 165 HB VAL 18 HB VAL 18 0.481 10.569 5.901 166 HG11 VAL 18 HG11 VAL 18 -2.247 9.909 4.791 167 HG12 VAL 18 HG12 VAL 18 -0.699 9.582 4.011 168 HG13 VAL 18 HG13 VAL 18 -1.221 11.246 4.269 169 HG21 VAL 18 HG21 VAL 18 -0.687 11.269 7.911 170 HG22 VAL 18 HG22 VAL 18 -2.239 10.913 7.153 171 HG23 VAL 18 HG23 VAL 18 -1.229 12.215 6.524 172 H HIS 19 H HIS 19 1.909 8.178 6.761 173 HA HIS 19 HA HIS 19 2.290 7.113 4.196 174 HB2 HIS 19 HB3 HIS 19 4.091 7.842 5.824 175 HB3 HIS 19 HB2 HIS 19 3.848 6.311 6.659 176 HD1 HIS 19 HD1 HIS 19 5.929 5.017 6.091 177 HD2 HIS 19 HD2 HIS 19 4.215 6.832 2.765 178 HE1 HIS 19 HE1 HIS 19 7.261 4.217 4.122 179 HE2 HIS 19 HE2 HIS 19 6.361 5.523 2.159 180 H GLU 20 H GLU 20 1.144 5.656 7.168 181 HA GLU 20 HA GLU 20 1.092 3.008 5.960 182 HB2 GLU 20 HB3 GLU 20 0.063 3.855 8.675 183 HB3 GLU 20 HB2 GLU 20 0.289 2.209 8.110 184 HG2 GLU 20 HG3 GLU 20 2.133 2.498 9.430 185 HG3 GLU 20 HG2 GLU 20 2.774 2.934 7.846 186 H LEU 21 H LEU 21 -1.211 5.384 7.280 187 HA LEU 21 HA LEU 21 -3.456 3.707 6.939 188 HB2 LEU 21 HB3 LEU 21 -3.419 6.712 7.205 189 HB3 LEU 21 HB2 LEU 21 -4.801 5.665 7.476 190 HG LEU 21 HG LEU 21 -2.280 5.749 9.136 191 HD11 LEU 21 HD11 LEU 21 -3.724 7.664 9.498 192 HD12 LEU 21 HD12 LEU 21 -3.772 6.581 10.889 193 HD13 LEU 21 HD13 LEU 21 -5.108 6.596 9.737 194 HD21 LEU 21 HD21 LEU 21 -3.166 3.482 9.004 195 HD22 LEU 21 HD22 LEU 21 -4.764 4.070 9.464 196 HD23 LEU 21 HD23 LEU 21 -3.425 4.168 10.608 197 H ALA 22 H ALA 22 -1.911 5.935 4.745 198 HA ALA 22 HA ALA 22 -4.049 6.377 2.981 199 HB1 ALA 22 HB1 ALA 22 -1.116 6.169 2.313 200 HB2 ALA 22 HB2 ALA 22 -1.945 7.623 2.866 201 HB3 ALA 22 HB3 ALA 22 -2.361 6.910 1.307 202 H ARG 23 H ARG 23 -2.097 3.571 3.529 203 HA ARG 23 HA ARG 23 -2.595 2.325 1.007 204 HB2 ARG 23 HB3 ARG 23 -1.367 0.538 1.800 205 HB3 ARG 23 HB2 ARG 23 -0.734 1.852 2.778 206 HG2 ARG 23 HG3 ARG 23 -2.372 1.148 4.565 207 HG3 ARG 23 HG2 ARG 23 -2.653 -0.305 3.600 208 HD2 ARG 23 HD3 ARG 23 0.009 0.612 4.680 209 HD3 ARG 23 HD2 ARG 23 -0.982 -0.681 5.350 210 HE ARG 23 HE ARG 23 -0.446 -2.033 3.507 211 HH11 ARG 23 HH11 ARG 23 1.098 1.102 3.326 212 HH12 ARG 23 HH12 ARG 23 2.309 0.586 2.201 213 HH21 ARG 23 HH22 ARG 23 1.155 -2.728 2.035 214 HH22 ARG 23 HH21 ARG 23 2.343 -1.601 1.466 215 H VAL 24 H VAL 24 -4.158 2.330 4.148 216 HA VAL 24 HA VAL 24 -5.984 0.209 3.572 217 HB VAL 24 HB VAL 24 -6.281 2.417 5.622 218 HG11 VAL 24 HG11 VAL 24 -7.526 -0.328 5.465 219 HG12 VAL 24 HG12 VAL 24 -8.351 1.208 5.203 220 HG13 VAL 24 HG13 VAL 24 -7.715 0.811 6.799 221 HG21 VAL 24 HG21 VAL 24 -4.167 1.278 5.950 222 HG22 VAL 24 HG22 VAL 24 -4.974 -0.289 5.887 223 HG23 VAL 24 HG23 VAL 24 -5.303 0.819 7.219 224 H LYS 25 H LYS 25 -6.076 3.724 3.447 225 HA LYS 25 HA LYS 25 -8.707 4.129 2.642 226 HB2 LYS 25 HB3 LYS 25 -7.184 5.943 3.275 227 HB3 LYS 25 HB2 LYS 25 -6.213 5.643 1.841 228 HG2 LYS 25 HG3 LYS 25 -8.142 6.265 0.441 229 HG3 LYS 25 HG2 LYS 25 -9.054 6.636 1.906 230 HD2 LYS 25 HD3 LYS 25 -7.400 8.331 2.511 231 HD3 LYS 25 HD2 LYS 25 -6.474 7.954 1.057 232 HE2 LYS 25 HE3 LYS 25 -7.797 9.932 0.673 233 HE3 LYS 25 HE2 LYS 25 -8.422 8.609 -0.311 234 HZ1 LYS 25 HZ1 LYS 25 -9.570 9.654 2.219 235 HZ2 LYS 25 HZ2 LYS 25 -10.121 8.252 1.441 236 HZ3 LYS 25 HZ3 LYS 25 -10.247 9.753 0.669 237 H PHE 26 H PHE 26 -5.806 3.515 0.693 238 HA PHE 26 HA PHE 26 -7.061 3.580 -1.823 239 HB2 PHE 26 HB3 PHE 26 -4.633 3.722 -1.588 240 HB3 PHE 26 HB2 PHE 26 -4.580 2.089 -0.934 241 HD1 PHE 26 HD2 PHE 26 -5.501 4.014 -3.977 242 HD2 PHE 26 HD1 PHE 26 -4.318 0.263 -2.348 243 HE1 PHE 26 HE2 PHE 26 -5.239 3.111 -6.252 244 HE2 PHE 26 HE1 PHE 26 -4.055 -0.644 -4.619 245 HZ PHE 26 HZ PHE 26 -4.519 0.776 -6.574 246 H MET 27 H MET 27 -6.169 0.801 0.227 247 HA MET 27 HA MET 27 -7.213 -1.235 -1.358 248 HB2 MET 27 HB3 MET 27 -6.936 -1.045 1.643 249 HB3 MET 27 HB2 MET 27 -7.395 -2.521 0.805 250 HG2 MET 27 HG3 MET 27 -5.288 -2.599 -0.339 251 HG3 MET 27 HG2 MET 27 -4.835 -1.019 0.298 252 HE1 MET 27 HE1 MET 27 -2.358 -3.456 2.139 253 HE2 MET 27 HE2 MET 27 -2.502 -2.051 1.082 254 HE3 MET 27 HE3 MET 27 -2.965 -3.649 0.494 255 H GLN 28 H GLN 28 -8.816 0.729 1.109 256 HA GLN 28 HA GLN 28 -11.263 -0.624 1.196 257 HB2 GLN 28 HB3 GLN 28 -10.463 1.191 2.755 258 HB3 GLN 28 HB2 GLN 28 -10.881 2.348 1.498 259 HG2 GLN 28 HG3 GLN 28 -13.213 1.522 1.587 260 HG3 GLN 28 HG2 GLN 28 -12.756 0.513 2.961 261 HE21 GLN 28 HE22 GLN 28 -14.665 2.725 2.774 262 HE22 GLN 28 HE21 GLN 28 -14.170 3.866 3.977 263 H ASP 29 H ASP 29 -10.369 2.274 -0.668 264 HA ASP 29 HA ASP 29 -12.873 2.546 -1.929 265 HB2 ASP 29 HB3 ASP 29 -11.247 4.384 -1.728 266 HB3 ASP 29 HB2 ASP 29 -10.178 3.557 -2.857 267 H VAL 30 H VAL 30 -9.946 0.830 -2.841 268 HA VAL 30 HA VAL 30 -10.663 0.219 -5.491 269 HB VAL 30 HB VAL 30 -8.835 -1.204 -3.557 270 HG11 VAL 30 HG11 VAL 30 -9.651 -2.834 -5.172 271 HG12 VAL 30 HG12 VAL 30 -7.961 -2.440 -5.484 272 HG13 VAL 30 HG13 VAL 30 -9.229 -1.749 -6.497 273 HG21 VAL 30 HG21 VAL 30 -7.079 -0.225 -4.968 274 HG22 VAL 30 HG22 VAL 30 -8.110 1.012 -4.248 275 HG23 VAL 30 HG23 VAL 30 -8.317 0.568 -5.942 276 H VAL 31 H VAL 31 -11.240 -1.536 -2.457 277 HA VAL 31 HA VAL 31 -12.498 -3.781 -3.646 278 HB VAL 31 HB VAL 31 -12.871 -2.664 -0.856 279 HG11 VAL 31 HG11 VAL 31 -13.500 -5.409 -1.940 280 HG12 VAL 31 HG12 VAL 31 -14.678 -4.186 -1.465 281 HG13 VAL 31 HG13 VAL 31 -13.624 -4.914 -0.252 282 HG21 VAL 31 HG21 VAL 31 -11.232 -4.334 -0.169 283 HG22 VAL 31 HG22 VAL 31 -10.543 -3.208 -1.339 284 HG23 VAL 31 HG23 VAL 31 -11.021 -4.828 -1.850 285 H ASN 32 H ASN 32 -13.634 -0.625 -2.667 286 HA ASN 32 HA ASN 32 -16.413 -1.430 -2.828 287 HB2 ASN 32 HB3 ASN 32 -15.001 1.082 -1.969 288 HB3 ASN 32 HB2 ASN 32 -16.732 1.109 -2.306 289 HD21 ASN 32 HD22 ASN 32 -14.229 -0.019 -0.198 290 HD22 ASN 32 HD21 ASN 32 -15.270 -0.567 1.070 291 H SER 33 H SER 33 -14.109 -0.338 -4.996 292 HA SER 33 HA SER 33 -16.192 0.754 -6.754 293 HB2 SER 33 HB3 SER 33 -14.262 1.645 -8.111 294 HB3 SER 33 HB2 SER 33 -14.409 2.343 -6.500 295 HG SER 33 HG SER 33 -12.719 1.069 -5.805 296 H ASP 34 H ASP 34 -16.106 0.100 -9.031 297 HA ASP 34 HA ASP 34 -16.071 -2.732 -9.197 298 HB2 ASP 34 HB3 ASP 34 -16.336 -0.684 -11.409 299 HB3 ASP 34 HB2 ASP 34 -16.665 -2.406 -11.574 300 H THR 35 H THR 35 -13.560 -0.602 -9.325 301 HA THR 35 HA THR 35 -11.911 -1.433 -11.385 302 HB THR 35 HB THR 35 -11.075 -0.659 -8.582 303 HG1 THR 35 HG1 THR 35 -11.844 0.815 -10.877 304 HG21 THR 35 HG21 THR 35 -9.565 -0.502 -11.196 305 HG22 THR 35 HG22 THR 35 -9.244 -1.645 -9.890 306 HG23 THR 35 HG23 THR 35 -8.993 0.083 -9.633 307 H PHE 36 H PHE 36 -12.198 -2.805 -8.095 308 HA PHE 36 HA PHE 36 -11.345 -5.375 -9.205 309 HB2 PHE 36 HB3 PHE 36 -10.066 -3.995 -6.855 310 HB3 PHE 36 HB2 PHE 36 -10.013 -5.745 -7.034 311 HD1 PHE 36 HD1 PHE 36 -9.188 -6.570 -9.398 312 HD2 PHE 36 HD2 PHE 36 -8.331 -2.757 -7.719 313 HE1 PHE 36 HE1 PHE 36 -7.218 -6.377 -10.857 314 HE2 PHE 36 HE2 PHE 36 -6.361 -2.555 -9.176 315 HZ PHE 36 HZ PHE 36 -5.802 -4.366 -10.747 316 H LYS 37 H LYS 37 -13.831 -4.007 -8.146 317 HA LYS 37 HA LYS 37 -14.647 -5.166 -5.732 318 HB2 LYS 37 HB3 LYS 37 -15.832 -3.314 -6.804 319 HB3 LYS 37 HB2 LYS 37 -16.313 -4.370 -8.124 320 HG2 LYS 37 HG3 LYS 37 -17.669 -5.691 -6.623 321 HG3 LYS 37 HG2 LYS 37 -17.124 -4.729 -5.248 322 HD2 LYS 37 HD3 LYS 37 -18.205 -2.772 -6.107 323 HD3 LYS 37 HD2 LYS 37 -18.598 -3.595 -7.618 324 HE2 LYS 37 HE3 LYS 37 -19.625 -4.389 -4.899 325 HE3 LYS 37 HE2 LYS 37 -20.518 -3.426 -6.073 326 HZ1 LYS 37 HZ1 LYS 37 -20.380 -5.295 -7.625 327 HZ2 LYS 37 HZ2 LYS 37 -21.180 -5.728 -6.193 328 HZ3 LYS 37 HZ3 LYS 37 -19.580 -6.222 -6.453 329 H GLY 38 H GLY 38 -14.289 -6.527 -8.883 330 HA2 GLY 38 HA3 GLY 38 -16.145 -8.666 -8.670 331 HA3 GLY 38 HA2 GLY 38 -14.787 -8.582 -9.782 332 H GLN 39 H GLN 39 -13.151 -8.112 -7.168 333 HA GLN 39 HA GLN 39 -12.700 -10.952 -6.636 334 HB2 GLN 39 HB3 GLN 39 -11.133 -8.518 -5.745 335 HB3 GLN 39 HB2 GLN 39 -10.651 -10.192 -5.513 336 HG2 GLN 39 HG3 GLN 39 -11.022 -8.865 -8.187 337 HG3 GLN 39 HG2 GLN 39 -9.476 -9.081 -7.371 338 HE21 GLN 39 HE22 GLN 39 -10.437 -10.099 -9.946 339 HE22 GLN 39 HE21 GLN 39 -10.260 -11.820 -9.865 340 HA PRO 40 HA PRO 40 -15.278 -10.487 -2.968 341 HB2 PRO 40 HB2 PRO 40 -14.016 -13.082 -2.282 342 HB3 PRO 40 HB3 PRO 40 -15.728 -12.658 -2.382 343 HG2 PRO 40 HG3 PRO 40 -14.565 -14.168 -4.258 344 HG3 PRO 40 HG2 PRO 40 -15.812 -12.979 -4.671 345 HD2 PRO 40 HD3 PRO 40 -12.849 -12.817 -5.015 346 HD3 PRO 40 HD2 PRO 40 -14.143 -12.227 -6.077 347 H ILE 41 H ILE 41 -12.279 -12.274 -2.374 348 HA ILE 41 HA ILE 41 -11.393 -10.146 -0.549 349 HB ILE 41 HB ILE 41 -10.870 -13.093 -0.101 350 HG12 ILE 41 HG13 ILE 41 -13.273 -12.652 0.182 351 HG13 ILE 41 HG12 ILE 41 -12.502 -13.017 1.721 352 HG21 ILE 41 HG21 ILE 41 -10.469 -10.688 1.669 353 HG22 ILE 41 HG22 ILE 41 -9.205 -11.608 0.852 354 HG23 ILE 41 HG23 ILE 41 -10.161 -12.362 2.129 355 HD11 ILE 41 HD11 ILE 41 -14.098 -11.217 1.957 356 HD12 ILE 41 HD12 ILE 41 -13.259 -10.282 0.719 357 HD13 ILE 41 HD13 ILE 41 -12.462 -10.629 2.254 358 H PHE 42 H PHE 42 -9.148 -9.737 -0.622 359 HA PHE 42 HA PHE 42 -7.895 -10.573 -3.086 360 HB2 PHE 42 HB3 PHE 42 -7.057 -8.654 -0.917 361 HB3 PHE 42 HB2 PHE 42 -6.040 -9.028 -2.302 362 HD1 PHE 42 HD1 PHE 42 -7.599 -8.973 -4.594 363 HD2 PHE 42 HD2 PHE 42 -8.082 -6.624 -1.083 364 HE1 PHE 42 HE1 PHE 42 -8.736 -7.240 -5.917 365 HE2 PHE 42 HE2 PHE 42 -9.221 -4.886 -2.397 366 HZ PHE 42 HZ PHE 42 -9.550 -5.192 -4.817 367 H ASP 43 H ASP 43 -5.225 -10.609 -2.451 368 HA ASP 43 HA ASP 43 -4.796 -12.693 -0.471 369 HB2 ASP 43 HB3 ASP 43 -5.373 -13.898 -2.564 370 HB3 ASP 43 HB2 ASP 43 -4.078 -13.050 -3.398 371 H HIS 44 H HIS 44 -2.320 -13.194 -0.441 372 HA HIS 44 HA HIS 44 -0.983 -10.775 0.110 373 HB2 HIS 44 HB3 HIS 44 0.004 -13.614 -0.154 374 HB3 HIS 44 HB2 HIS 44 1.072 -12.280 0.265 375 HD1 HIS 44 HD1 HIS 44 1.580 -12.981 2.640 376 HD2 HIS 44 HD2 HIS 44 -2.499 -12.715 1.871 377 HE1 HIS 44 HE1 HIS 44 0.450 -13.205 4.876 378 HE2 HIS 44 HE2 HIS 44 -2.006 -12.879 4.410 379 H ALA 45 H ALA 45 -1.239 -12.655 -2.800 380 HA ALA 45 HA ALA 45 0.956 -11.505 -4.201 381 HB1 ALA 45 HB1 ALA 45 -0.158 -12.310 -6.218 382 HB2 ALA 45 HB2 ALA 45 -1.620 -12.637 -5.287 383 HB3 ALA 45 HB3 ALA 45 -0.145 -13.549 -4.964 384 H HIS 46 H HIS 46 -2.491 -10.658 -4.021 385 HA HIS 46 HA HIS 46 -2.149 -8.324 -5.629 386 HB2 HIS 46 HB3 HIS 46 -4.342 -9.730 -4.862 387 HB3 HIS 46 HB2 HIS 46 -4.432 -8.362 -3.752 388 HD1 HIS 46 HD1 HIS 46 -5.797 -9.286 -6.810 389 HD2 HIS 46 HD2 HIS 46 -3.829 -5.858 -5.524 390 HE1 HIS 46 HE1 HIS 46 -6.425 -7.487 -8.450 391 HE2 HIS 46 HE2 HIS 46 -4.953 -5.536 -7.827 392 H THR 47 H THR 47 -1.870 -9.074 -2.243 393 HA THR 47 HA THR 47 -1.626 -6.516 -1.164 394 HB THR 47 HB THR 47 -0.007 -8.992 -0.518 395 HG1 THR 47 HG1 THR 47 -2.079 -8.095 1.123 396 HG21 THR 47 HG21 THR 47 1.106 -7.032 0.353 397 HG22 THR 47 HG22 THR 47 0.351 -7.918 1.681 398 HG23 THR 47 HG23 THR 47 -0.405 -6.450 1.057 399 H ARG 48 H ARG 48 0.943 -8.626 -2.408 400 HA ARG 48 HA ARG 48 3.051 -6.867 -2.499 401 HB2 ARG 48 HB3 ARG 48 3.368 -9.189 -2.965 402 HB3 ARG 48 HB2 ARG 48 2.287 -9.125 -4.347 403 HG2 ARG 48 HG3 ARG 48 3.872 -7.823 -5.595 404 HG3 ARG 48 HG2 ARG 48 4.927 -7.691 -4.186 405 HD2 ARG 48 HD3 ARG 48 5.698 -9.398 -5.786 406 HD3 ARG 48 HD2 ARG 48 5.315 -10.073 -4.205 407 HE ARG 48 HE ARG 48 3.481 -10.255 -6.519 408 HH11 ARG 48 HH11 ARG 48 5.054 -11.664 -3.727 409 HH12 ARG 48 HH12 ARG 48 4.328 -13.228 -3.930 410 HH21 ARG 48 HH22 ARG 48 2.518 -12.311 -6.802 411 HH22 ARG 48 HH21 ARG 48 2.868 -13.588 -5.679 412 H GLU 49 H GLU 49 0.548 -7.369 -4.963 413 HA GLU 49 HA GLU 49 1.498 -5.615 -6.903 414 HB2 GLU 49 HB3 GLU 49 -0.366 -7.204 -7.238 415 HB3 GLU 49 HB2 GLU 49 -1.387 -6.201 -6.214 416 HG2 GLU 49 HG3 GLU 49 -1.018 -4.321 -7.827 417 HG3 GLU 49 HG2 GLU 49 -0.212 -5.475 -8.886 418 H PHE 50 H PHE 50 -0.706 -4.963 -4.187 419 HA PHE 50 HA PHE 50 -1.026 -2.208 -4.856 420 HB2 PHE 50 HB3 PHE 50 -1.757 -3.840 -2.437 421 HB3 PHE 50 HB2 PHE 50 -1.999 -2.097 -2.480 422 HD1 PHE 50 HD1 PHE 50 -2.583 -2.339 -5.622 423 HD2 PHE 50 HD2 PHE 50 -4.190 -4.088 -2.091 424 HE1 PHE 50 HE1 PHE 50 -4.743 -2.636 -6.759 425 HE2 PHE 50 HE2 PHE 50 -6.354 -4.392 -3.224 426 HZ PHE 50 HZ PHE 50 -6.629 -3.661 -5.561 427 H ILE 51 H ILE 51 1.081 -3.974 -2.633 428 HA ILE 51 HA ILE 51 2.081 -1.669 -1.322 429 HB ILE 51 HB ILE 51 3.497 -4.315 -1.709 430 HG12 ILE 51 HG13 ILE 51 1.755 -3.321 0.564 431 HG13 ILE 51 HG12 ILE 51 1.334 -4.596 -0.577 432 HG21 ILE 51 HG21 ILE 51 4.796 -3.650 0.249 433 HG22 ILE 51 HG22 ILE 51 3.936 -2.110 0.301 434 HG23 ILE 51 HG23 ILE 51 4.991 -2.488 -1.063 435 HD11 ILE 51 HD11 ILE 51 3.586 -4.681 1.417 436 HD12 ILE 51 HD12 ILE 51 3.174 -5.959 0.273 437 HD13 ILE 51 HD13 ILE 51 2.039 -5.518 1.550 438 H GLN 52 H GLN 52 3.165 -3.518 -4.135 439 HA GLN 52 HA GLN 52 5.575 -2.191 -4.609 440 HB2 GLN 52 HB3 GLN 52 4.028 -4.173 -5.877 441 HB3 GLN 52 HB2 GLN 52 4.307 -2.929 -7.088 442 HG2 GLN 52 HG3 GLN 52 6.046 -4.525 -7.275 443 HG3 GLN 52 HG2 GLN 52 6.738 -3.066 -6.566 444 HE21 GLN 52 HE22 GLN 52 7.351 -3.086 -4.388 445 HE22 GLN 52 HE21 GLN 52 7.591 -4.566 -3.512 446 H SER 53 H SER 53 2.307 -1.470 -5.785 447 HA SER 53 HA SER 53 3.140 0.729 -7.397 448 HB2 SER 53 HB3 SER 53 0.611 1.230 -7.350 449 HB3 SER 53 HB2 SER 53 1.133 -0.286 -8.082 450 HG SER 53 HG SER 53 0.212 -1.377 -6.513 451 H PHE 54 H PHE 54 1.958 0.364 -4.110 452 HA PHE 54 HA PHE 54 1.601 3.102 -3.523 453 HB2 PHE 54 HB3 PHE 54 0.777 1.123 -2.163 454 HB3 PHE 54 HB2 PHE 54 2.418 0.960 -1.551 455 HD1 PHE 54 HD1 PHE 54 -0.468 3.267 -1.729 456 HD2 PHE 54 HD2 PHE 54 3.171 2.275 0.240 457 HE1 PHE 54 HE1 PHE 54 -0.977 4.909 0.031 458 HE2 PHE 54 HE2 PHE 54 2.670 3.914 2.001 459 HZ PHE 54 HZ PHE 54 0.593 5.236 1.900 460 H ILE 55 H ILE 55 4.415 1.169 -3.908 461 HA ILE 55 HA ILE 55 6.134 3.235 -2.755 462 HB ILE 55 HB ILE 55 6.899 0.653 -4.139 463 HG12 ILE 55 HG13 ILE 55 6.792 1.278 -1.181 464 HG13 ILE 55 HG12 ILE 55 5.595 0.321 -2.046 465 HG21 ILE 55 HG21 ILE 55 8.681 2.311 -4.197 466 HG22 ILE 55 HG22 ILE 55 9.090 0.994 -3.098 467 HG23 ILE 55 HG23 ILE 55 8.540 2.541 -2.454 468 HD11 ILE 55 HD11 ILE 55 8.504 -0.370 -1.707 469 HD12 ILE 55 HD12 ILE 55 7.315 -1.327 -2.592 470 HD13 ILE 55 HD13 ILE 55 7.146 -1.101 -0.851 471 H GLU 56 H GLU 56 4.847 2.212 -5.793 472 HA GLU 56 HA GLU 56 7.010 3.295 -7.379 473 HB2 GLU 56 HB3 GLU 56 5.709 1.202 -7.960 474 HB3 GLU 56 HB2 GLU 56 4.363 2.252 -8.382 475 HG2 GLU 56 HG3 GLU 56 5.846 3.387 -10.026 476 HG3 GLU 56 HG2 GLU 56 7.083 2.184 -9.666 477 H ARG 57 H ARG 57 4.280 4.621 -5.934 478 HA ARG 57 HA ARG 57 3.171 6.418 -7.670 479 HB2 ARG 57 HB3 ARG 57 3.987 7.811 -5.242 480 HB3 ARG 57 HB2 ARG 57 2.376 7.468 -5.849 481 HG2 ARG 57 HG3 ARG 57 2.174 5.554 -4.637 482 HG3 ARG 57 HG2 ARG 57 3.915 5.249 -4.618 483 HD2 ARG 57 HD3 ARG 57 2.439 7.362 -3.047 484 HD3 ARG 57 HD2 ARG 57 3.171 5.891 -2.403 485 HE ARG 57 HE ARG 57 4.740 8.057 -3.659 486 HH11 ARG 57 HH11 ARG 57 4.324 5.621 -1.178 487 HH12 ARG 57 HH12 ARG 57 5.837 5.987 -0.391 488 HH21 ARG 57 HH22 ARG 57 6.722 8.512 -2.680 489 HH22 ARG 57 HH21 ARG 57 7.203 7.639 -1.239 490 H ASP 58 H ASP 58 6.341 6.746 -6.110 491 HA ASP 58 HA ASP 58 6.763 9.396 -7.047 492 HB2 ASP 58 HB3 ASP 58 8.417 7.384 -5.608 493 HB3 ASP 58 HB2 ASP 58 9.244 8.726 -6.397 494 H ASP 59 H ASP 59 6.906 6.469 -8.689 495 HA ASP 59 HA ASP 59 8.919 7.117 -10.593 496 HB2 ASP 59 HB3 ASP 59 8.086 4.844 -10.505 497 HB3 ASP 59 HB2 ASP 59 6.443 5.388 -10.824 498 H THR 60 H THR 60 5.560 7.926 -10.157 499 HA THR 60 HA THR 60 5.149 9.291 -12.599 500 HB THR 60 HB THR 60 3.818 9.757 -9.920 501 HG1 THR 60 HG1 THR 60 3.058 8.025 -12.065 502 HG21 THR 60 HG21 THR 60 2.854 10.316 -12.728 503 HG22 THR 60 HG22 THR 60 3.344 11.527 -11.541 504 HG23 THR 60 HG23 THR 60 1.914 10.536 -11.252 505 H GLU 61 H GLU 61 6.387 10.251 -9.444 506 HA GLU 61 HA GLU 61 6.657 13.019 -9.966 507 HB2 GLU 61 HB3 GLU 61 8.229 11.227 -8.103 508 HB3 GLU 61 HB2 GLU 61 8.309 12.983 -8.103 509 HG2 GLU 61 HG3 GLU 61 5.893 11.302 -7.482 510 HG3 GLU 61 HG2 GLU 61 6.881 12.195 -6.326 511 H LEU 62 H LEU 62 8.900 10.298 -10.234 512 HA LEU 62 HA LEU 62 11.117 11.741 -11.166 513 HB2 LEU 62 HB3 LEU 62 11.122 9.405 -10.279 514 HB3 LEU 62 HB2 LEU 62 10.398 8.876 -11.784 515 HG LEU 62 HG LEU 62 12.394 9.590 -13.014 516 HD11 LEU 62 HD11 LEU 62 13.058 11.445 -11.571 517 HD12 LEU 62 HD12 LEU 62 14.391 10.315 -11.812 518 HD13 LEU 62 HD13 LEU 62 13.489 10.305 -10.296 519 HD21 LEU 62 HD21 LEU 62 13.942 7.910 -12.121 520 HD22 LEU 62 HD22 LEU 62 12.285 7.311 -12.173 521 HD23 LEU 62 HD23 LEU 62 12.987 7.826 -10.640 522 H ASP 63 H ASP 63 8.364 10.330 -12.825 523 HA ASP 63 HA ASP 63 9.233 10.624 -15.474 524 HB2 ASP 63 HB3 ASP 63 7.273 9.312 -14.984 525 HB3 ASP 63 HB2 ASP 63 6.455 10.705 -14.283 526 H GLU 64 H GLU 64 7.605 12.874 -13.292 527 HA GLU 64 HA GLU 64 7.342 14.997 -15.145 528 HB2 GLU 64 HB3 GLU 64 7.377 14.878 -12.139 529 HB3 GLU 64 HB2 GLU 64 7.241 16.406 -12.998 530 HG2 GLU 64 HG3 GLU 64 5.352 14.090 -13.337 531 HG3 GLU 64 HG2 GLU 64 5.076 15.463 -12.264 532 H LEU 65 H LEU 65 9.894 14.074 -12.886 533 HA LEU 65 HA LEU 65 11.531 16.342 -13.276 534 HB2 LEU 65 HB3 LEU 65 12.314 13.519 -12.547 535 HB3 LEU 65 HB2 LEU 65 13.360 14.920 -12.417 536 HG LEU 65 HG LEU 65 10.831 14.431 -10.840 537 HD11 LEU 65 HD11 LEU 65 12.716 13.062 -10.127 538 HD12 LEU 65 HD12 LEU 65 12.351 14.307 -8.932 539 HD13 LEU 65 HD13 LEU 65 13.730 14.501 -10.015 540 HD21 LEU 65 HD21 LEU 65 11.381 16.473 -9.648 541 HD22 LEU 65 HD22 LEU 65 11.142 16.806 -11.363 542 HD23 LEU 65 HD23 LEU 65 12.774 16.732 -10.700 543 H LYS 66 H LYS 66 11.225 13.293 -14.974 544 HA LYS 66 HA LYS 66 13.450 13.553 -16.688 545 HB2 LYS 66 HB3 LYS 66 10.843 12.066 -17.029 546 HB3 LYS 66 HB2 LYS 66 12.210 11.912 -18.125 547 HG2 LYS 66 HG3 LYS 66 13.560 10.937 -16.426 548 HG3 LYS 66 HG2 LYS 66 12.360 11.306 -15.184 549 HD2 LYS 66 HD3 LYS 66 10.777 9.785 -16.259 550 HD3 LYS 66 HD2 LYS 66 11.967 9.424 -17.511 551 HE2 LYS 66 HE3 LYS 66 13.448 8.446 -15.876 552 HE3 LYS 66 HE2 LYS 66 12.360 8.909 -14.567 553 HZ1 LYS 66 HZ1 LYS 66 10.713 7.406 -15.375 554 HZ2 LYS 66 HZ2 LYS 66 12.172 6.551 -15.246 555 HZ3 LYS 66 HZ3 LYS 66 11.618 7.056 -16.767 556 H LYS 67 H LYS 67 10.530 15.264 -16.577 557 HA LYS 67 HA LYS 67 10.601 15.969 -19.414 558 HB2 LYS 67 HB3 LYS 67 8.631 16.752 -17.257 559 HB3 LYS 67 HB2 LYS 67 8.482 17.133 -18.968 560 HG2 LYS 67 HG3 LYS 67 8.210 14.827 -19.526 561 HG3 LYS 67 HG2 LYS 67 8.586 14.333 -17.874 562 HD2 LYS 67 HD3 LYS 67 6.573 15.613 -17.122 563 HD3 LYS 67 HD2 LYS 67 6.172 15.870 -18.822 564 HE2 LYS 67 HE3 LYS 67 5.929 13.519 -19.187 565 HE3 LYS 67 HE2 LYS 67 6.552 13.153 -17.578 566 HZ1 LYS 67 HZ1 LYS 67 4.594 14.420 -16.697 567 HZ2 LYS 67 HZ2 LYS 67 4.222 12.955 -17.467 568 HZ3 LYS 67 HZ3 LYS 67 3.965 14.420 -18.272 569 H LYS 68 H LYS 68 12.115 16.973 -16.673 570 HA LYS 68 HA LYS 68 11.852 19.813 -17.004 571 HB2 LYS 68 HB3 LYS 68 13.739 18.111 -15.395 572 HB3 LYS 68 HB2 LYS 68 13.886 19.861 -15.465 573 HG2 LYS 68 HG3 LYS 68 11.560 20.028 -14.607 574 HG3 LYS 68 HG2 LYS 68 11.561 18.274 -14.406 575 HD2 LYS 68 HD3 LYS 68 13.412 18.414 -12.858 576 HD3 LYS 68 HD2 LYS 68 13.544 20.151 -13.125 577 HE2 LYS 68 HE3 LYS 68 11.203 18.712 -11.889 578 HE3 LYS 68 HE2 LYS 68 12.406 19.669 -11.027 579 HZ1 LYS 68 HZ1 LYS 68 10.380 20.633 -12.971 580 HZ2 LYS 68 HZ2 LYS 68 11.676 21.589 -12.429 581 HZ3 LYS 68 HZ3 LYS 68 10.517 21.026 -11.327 582 H ARG 69 H ARG 69 13.670 17.374 -18.528 583 HA ARG 69 HA ARG 69 15.867 18.969 -19.377 584 HB2 ARG 69 HB3 ARG 69 16.237 17.179 -21.056 585 HB3 ARG 69 HB2 ARG 69 16.094 16.578 -19.412 586 HG2 ARG 69 HG3 ARG 69 13.868 15.802 -19.823 587 HG3 ARG 69 HG2 ARG 69 13.851 16.564 -21.415 588 HD2 ARG 69 HD3 ARG 69 15.486 15.064 -22.248 589 HD3 ARG 69 HD2 ARG 69 15.843 14.449 -20.634 590 HE ARG 69 HE ARG 69 13.637 13.410 -20.656 591 HH11 ARG 69 HH11 ARG 69 14.879 14.520 -23.744 592 HH12 ARG 69 HH12 ARG 69 13.974 13.354 -24.667 593 HH21 ARG 69 HH22 ARG 69 12.479 11.855 -21.860 594 HH22 ARG 69 HH21 ARG 69 12.614 11.835 -23.595 595 H ARG 70 H ARG 70 12.674 19.288 -20.074 596 HA ARG 70 HA ARG 70 12.894 20.084 -22.820 597 HB2 ARG 70 HB3 ARG 70 10.767 20.635 -20.743 598 HB3 ARG 70 HB2 ARG 70 10.643 21.097 -22.435 599 HG2 ARG 70 HG3 ARG 70 10.757 18.759 -23.100 600 HG3 ARG 70 HG2 ARG 70 10.919 18.279 -21.411 601 HD2 ARG 70 HD3 ARG 70 8.720 19.225 -20.927 602 HD3 ARG 70 HD2 ARG 70 8.561 19.725 -22.611 603 HE ARG 70 HE ARG 70 9.067 16.950 -22.494 604 HH11 ARG 70 HH11 ARG 70 6.531 19.277 -21.800 605 HH12 ARG 70 HH12 ARG 70 5.247 18.148 -22.118 606 HH21 ARG 70 HH22 ARG 70 7.370 15.472 -22.881 607 HH22 ARG 70 HH21 ARG 70 5.723 15.982 -22.688 608 H SER 71 H SER 71 13.835 21.405 -19.878 609 HA SER 71 HA SER 71 14.203 24.034 -21.137 610 HB2 SER 71 HB3 SER 71 14.748 24.866 -18.875 611 HB3 SER 71 HB2 SER 71 13.144 24.140 -18.919 612 HG SER 71 HG SER 71 14.517 22.147 -18.235 613 H ASN 72 H ASN 72 16.502 24.932 -20.017 614 HA ASN 72 HA ASN 72 18.406 23.236 -21.371 615 HB2 ASN 72 HB3 ASN 72 18.766 25.906 -20.002 616 HB3 ASN 72 HB2 ASN 72 20.031 25.060 -20.884 617 HD21 ASN 72 HD22 ASN 72 19.051 27.650 -21.441 618 HD22 ASN 72 HD21 ASN 72 18.343 27.624 -23.020 619 H ARG 73 H ARG 73 17.385 23.768 -18.143 620 HA ARG 73 HA ARG 73 19.800 22.434 -17.146 621 HB2 ARG 73 HB3 ARG 73 17.773 24.135 -15.709 622 HB3 ARG 73 HB2 ARG 73 18.993 23.186 -14.874 623 HG2 ARG 73 HG3 ARG 73 20.700 24.449 -16.271 624 HG3 ARG 73 HG2 ARG 73 19.377 25.545 -16.679 625 HD2 ARG 73 HD3 ARG 73 20.634 26.407 -14.790 626 HD3 ARG 73 HD2 ARG 73 19.003 25.963 -14.290 627 HE ARG 73 HE ARG 73 20.436 23.731 -13.743 628 HH11 ARG 73 HH11 ARG 73 20.804 27.108 -12.873 629 HH12 ARG 73 HH12 ARG 73 21.665 26.763 -11.406 630 HH21 ARG 73 HH22 ARG 73 21.556 23.273 -11.823 631 HH22 ARG 73 HH21 ARG 73 22.090 24.570 -10.797 632 HA PRO 74 HA PRO 74 17.035 18.941 -16.426 633 HB2 PRO 74 HB2 PRO 74 19.457 17.372 -16.251 634 HB3 PRO 74 HB3 PRO 74 18.208 17.321 -17.496 635 HG2 PRO 74 HG3 PRO 74 20.757 18.219 -17.929 636 HG3 PRO 74 HG2 PRO 74 19.351 18.739 -18.875 637 HD2 PRO 74 HD3 PRO 74 20.740 20.136 -16.621 638 HD3 PRO 74 HD2 PRO 74 20.080 20.807 -18.129 639 HA PRO 75 HA PRO 75 17.695 18.860 -12.027 640 HB2 PRO 75 HB2 PRO 75 16.198 16.731 -11.350 641 HB3 PRO 75 HB3 PRO 75 15.471 18.230 -11.941 642 HG2 PRO 75 HG3 PRO 75 16.014 15.681 -13.410 643 HG3 PRO 75 HG2 PRO 75 14.579 16.721 -13.469 644 HD2 PRO 75 HD3 PRO 75 16.562 16.761 -15.355 645 HD3 PRO 75 HD2 PRO 75 15.538 18.159 -14.976 646 H SER 76 H SER 76 19.965 17.983 -13.134 647 HA SER 76 HA SER 76 20.751 15.364 -13.076 648 HB2 SER 76 HB3 SER 76 22.111 17.294 -13.879 649 HB3 SER 76 HB2 SER 76 22.450 17.714 -12.202 650 HG SER 76 HG SER 76 23.016 15.123 -13.175 651 H ASN 77 H ASN 77 20.806 17.622 -10.328 652 HA ASN 77 HA ASN 77 21.784 15.584 -8.526 653 HB2 ASN 77 HB3 ASN 77 22.532 17.851 -8.169 654 HB3 ASN 77 HB2 ASN 77 20.875 18.435 -8.086 655 HD21 ASN 77 HD22 ASN 77 21.022 19.301 -6.085 656 HD22 ASN 77 HD21 ASN 77 21.206 18.358 -4.641 657 H ARG 78 H ARG 78 18.767 17.433 -8.910 658 HA ARG 78 HA ARG 78 17.513 16.330 -6.635 659 HB2 ARG 78 HB3 ARG 78 16.333 17.715 -9.041 660 HB3 ARG 78 HB2 ARG 78 15.428 17.314 -7.586 661 HG2 ARG 78 HG3 ARG 78 16.932 18.727 -6.267 662 HG3 ARG 78 HG2 ARG 78 17.818 19.143 -7.734 663 HD2 ARG 78 HD3 ARG 78 15.802 20.152 -8.671 664 HD3 ARG 78 HD2 ARG 78 14.904 19.716 -7.217 665 HE ARG 78 HE ARG 78 17.179 21.266 -6.538 666 HH11 ARG 78 HH11 ARG 78 13.998 21.570 -7.988 667 HH12 ARG 78 HH12 ARG 78 13.787 23.217 -7.463 668 HH21 ARG 78 HH22 ARG 78 16.906 23.425 -5.880 669 HH22 ARG 78 HH21 ARG 78 15.441 24.269 -6.282 670 H GLN 79 H GLN 79 17.711 15.207 -9.930 671 HA GLN 79 HA GLN 79 15.525 13.430 -9.929 672 HB2 GLN 79 HB3 GLN 79 16.799 14.077 -11.951 673 HB3 GLN 79 HB2 GLN 79 18.174 13.153 -11.363 674 HG2 GLN 79 HG3 GLN 79 16.842 11.105 -11.485 675 HG3 GLN 79 HG2 GLN 79 15.477 12.039 -12.099 676 HE21 GLN 79 HE22 GLN 79 16.922 9.840 -13.335 677 HE22 GLN 79 HE21 GLN 79 17.533 10.452 -14.838 678 H VAL 80 H VAL 80 18.821 13.132 -8.770 679 HA VAL 80 HA VAL 80 18.716 10.349 -8.189 680 HB VAL 80 HB VAL 80 20.514 12.483 -7.019 681 HG11 VAL 80 HG11 VAL 80 22.027 10.632 -6.482 682 HG12 VAL 80 HG12 VAL 80 20.820 9.483 -7.059 683 HG13 VAL 80 HG13 VAL 80 20.485 10.477 -5.641 684 HG21 VAL 80 HG21 VAL 80 22.147 11.706 -8.675 685 HG22 VAL 80 HG22 VAL 80 20.702 12.371 -9.436 686 HG23 VAL 80 HG23 VAL 80 20.932 10.623 -9.353 687 H LEU 81 H LEU 81 18.014 13.280 -6.383 688 HA LEU 81 HA LEU 81 17.743 12.091 -3.836 689 HB2 LEU 81 HB3 LEU 81 16.378 14.565 -4.894 690 HB3 LEU 81 HB2 LEU 81 16.565 14.130 -3.207 691 HG LEU 81 HG LEU 81 18.767 14.912 -5.119 692 HD11 LEU 81 HD11 LEU 81 17.425 16.771 -4.321 693 HD12 LEU 81 HD12 LEU 81 19.031 16.802 -3.591 694 HD13 LEU 81 HD13 LEU 81 17.647 16.231 -2.657 695 HD21 LEU 81 HD21 LEU 81 18.949 14.100 -2.220 696 HD22 LEU 81 HD22 LEU 81 20.272 14.715 -3.212 697 HD23 LEU 81 HD23 LEU 81 19.532 13.160 -3.594 698 H LEU 82 H LEU 82 15.508 12.608 -6.497 699 HA LEU 82 HA LEU 82 13.133 11.839 -5.214 700 HB2 LEU 82 HB3 LEU 82 13.501 12.864 -7.550 701 HB3 LEU 82 HB2 LEU 82 13.784 11.224 -8.091 702 HG LEU 82 HG LEU 82 11.482 12.079 -8.527 703 HD11 LEU 82 HD11 LEU 82 11.873 9.696 -8.461 704 HD12 LEU 82 HD12 LEU 82 10.305 10.077 -7.750 705 HD13 LEU 82 HD13 LEU 82 11.674 9.687 -6.709 706 HD21 LEU 82 HD21 LEU 82 9.909 12.216 -6.659 707 HD22 LEU 82 HD22 LEU 82 11.196 13.413 -6.522 708 HD23 LEU 82 HD23 LEU 82 11.237 11.958 -5.528 709 H GLN 83 H GLN 83 15.542 9.950 -7.012 710 HA GLN 83 HA GLN 83 14.334 7.438 -6.678 711 HB2 GLN 83 HB3 GLN 83 16.169 7.865 -8.273 712 HB3 GLN 83 HB2 GLN 83 17.281 8.073 -6.926 713 HG2 GLN 83 HG3 GLN 83 16.817 5.747 -6.235 714 HG3 GLN 83 HG2 GLN 83 15.804 5.557 -7.664 715 HE21 GLN 83 HE22 GLN 83 18.214 4.143 -6.861 716 HE22 GLN 83 HE21 GLN 83 19.340 4.333 -8.167 717 H GLN 84 H GLN 84 16.613 9.241 -4.677 718 HA GLN 84 HA GLN 84 17.155 7.272 -2.769 719 HB2 GLN 84 HB3 GLN 84 17.149 10.283 -2.622 720 HB3 GLN 84 HB2 GLN 84 17.583 9.288 -1.237 721 HG2 GLN 84 HG3 GLN 84 19.349 8.227 -2.623 722 HG3 GLN 84 HG2 GLN 84 18.957 9.365 -3.912 723 HE21 GLN 84 HE22 GLN 84 21.435 8.980 -2.390 724 HE22 GLN 84 HE21 GLN 84 21.796 10.525 -1.692 725 H ARG 85 H ARG 85 14.423 9.449 -3.090 726 HA ARG 85 HA ARG 85 13.282 9.038 -0.547 727 HB2 ARG 85 HB3 ARG 85 12.509 10.837 -1.980 728 HB3 ARG 85 HB2 ARG 85 11.975 9.687 -3.197 729 HG2 ARG 85 HG3 ARG 85 10.074 10.517 -1.978 730 HG3 ARG 85 HG2 ARG 85 10.312 8.809 -1.604 731 HD2 ARG 85 HD3 ARG 85 11.525 9.503 0.460 732 HD3 ARG 85 HD2 ARG 85 11.080 11.171 0.103 733 HE ARG 85 HE ARG 85 8.957 9.156 0.374 734 HH11 ARG 85 HH11 ARG 85 10.597 12.013 1.585 735 HH12 ARG 85 HH12 ARG 85 9.373 12.371 2.768 736 HH21 ARG 85 HH22 ARG 85 7.329 9.655 1.927 737 HH22 ARG 85 HH21 ARG 85 7.530 11.048 2.949 738 H ARG 86 H ARG 86 12.595 7.449 -3.663 739 HA ARG 86 HA ARG 86 10.764 5.584 -2.558 740 HB2 ARG 86 HB3 ARG 86 10.858 6.205 -4.983 741 HB3 ARG 86 HB2 ARG 86 12.356 5.293 -5.117 742 HG2 ARG 86 HG3 ARG 86 11.213 3.249 -4.538 743 HG3 ARG 86 HG2 ARG 86 9.712 4.132 -4.266 744 HD2 ARG 86 HD3 ARG 86 9.532 3.133 -6.403 745 HD3 ARG 86 HD2 ARG 86 9.823 4.849 -6.672 746 HE ARG 86 HE ARG 86 12.233 4.132 -7.021 747 HH11 ARG 86 HH11 ARG 86 9.517 2.014 -7.693 748 HH12 ARG 86 HH12 ARG 86 10.335 1.168 -8.974 749 HH21 ARG 86 HH22 ARG 86 13.320 2.976 -8.683 750 HH22 ARG 86 HH21 ARG 86 12.476 1.713 -9.526 751 H ASP 87 H ASP 87 14.210 5.589 -3.108 752 HA ASP 87 HA ASP 87 14.830 2.910 -2.634 753 HB2 ASP 87 HB3 ASP 87 16.462 4.523 -3.468 754 HB3 ASP 87 HB2 ASP 87 16.395 5.412 -1.951 755 H GLN 88 H GLN 88 14.556 5.614 -0.352 756 HA GLN 88 HA GLN 88 15.230 4.143 1.959 757 HB2 GLN 88 HB3 GLN 88 15.334 6.574 1.918 758 HB3 GLN 88 HB2 GLN 88 13.598 6.671 1.656 759 HG2 GLN 88 HG3 GLN 88 13.217 5.665 3.856 760 HG3 GLN 88 HG2 GLN 88 14.960 5.598 4.117 761 HE21 GLN 88 HE22 GLN 88 12.883 6.986 5.626 762 HE22 GLN 88 HE21 GLN 88 13.347 8.659 5.631 763 H GLU 89 H GLU 89 12.071 5.091 0.624 764 HA GLU 89 HA GLU 89 10.524 3.868 2.615 765 HB2 GLU 89 HB3 GLU 89 9.874 4.505 -0.260 766 HB3 GLU 89 HB2 GLU 89 8.688 3.914 0.897 767 HG2 GLU 89 HG3 GLU 89 9.216 5.877 2.334 768 HG3 GLU 89 HG2 GLU 89 10.230 6.491 1.030 769 H LEU 90 H LEU 90 11.818 2.624 -0.422 770 HA LEU 90 HA LEU 90 10.561 0.142 -0.483 771 HB2 LEU 90 HB3 LEU 90 11.965 1.040 -2.298 772 HB3 LEU 90 HB2 LEU 90 13.390 0.816 -1.304 773 HG LEU 90 HG LEU 90 12.984 -1.632 -1.322 774 HD11 LEU 90 HD11 LEU 90 10.827 -0.944 -3.312 775 HD12 LEU 90 HD12 LEU 90 10.570 -1.583 -1.689 776 HD13 LEU 90 HD13 LEU 90 11.387 -2.567 -2.904 777 HD21 LEU 90 HD21 LEU 90 14.516 -0.593 -2.919 778 HD22 LEU 90 HD22 LEU 90 13.182 -0.354 -4.046 779 HD23 LEU 90 HD23 LEU 90 13.698 -1.987 -3.624 780 H LYS 91 H LYS 91 13.448 1.189 1.281 781 HA LYS 91 HA LYS 91 14.079 -1.391 2.302 782 HB2 LYS 91 HB3 LYS 91 15.702 0.490 2.156 783 HB3 LYS 91 HB2 LYS 91 14.823 1.309 3.438 784 HG2 LYS 91 HG3 LYS 91 15.348 -0.489 4.983 785 HG3 LYS 91 HG2 LYS 91 16.181 -1.366 3.698 786 HD2 LYS 91 HD3 LYS 91 17.763 0.521 3.485 787 HD3 LYS 91 HD2 LYS 91 16.953 1.321 4.834 788 HE2 LYS 91 HE3 LYS 91 17.535 -0.533 6.302 789 HE3 LYS 91 HE2 LYS 91 18.299 -1.378 4.955 790 HZ1 LYS 91 HZ1 LYS 91 19.164 1.207 6.140 791 HZ2 LYS 91 HZ2 LYS 91 19.864 0.487 4.769 792 HZ3 LYS 91 HZ3 LYS 91 19.960 -0.288 6.276 793 H GLU 92 H GLU 92 12.054 1.254 3.417 794 HA GLU 92 HA GLU 92 11.639 0.258 6.043 795 HB2 GLU 92 HB3 GLU 92 11.237 2.615 5.403 796 HB3 GLU 92 HB2 GLU 92 9.875 2.101 4.415 797 HG2 GLU 92 HG3 GLU 92 8.669 1.364 6.350 798 HG3 GLU 92 HG2 GLU 92 10.067 1.651 7.384 799 H PHE 93 H PHE 93 9.783 -0.017 3.027 800 HA PHE 93 HA PHE 93 7.705 -1.610 4.113 801 HB2 PHE 93 HB3 PHE 93 8.704 -1.169 1.308 802 HB3 PHE 93 HB2 PHE 93 7.411 -2.313 1.649 803 HD1 PHE 93 HD2 PHE 93 8.373 1.247 1.803 804 HD2 PHE 93 HD1 PHE 93 5.212 -1.582 2.078 805 HE1 PHE 93 HE2 PHE 93 6.737 3.079 1.724 806 HE2 PHE 93 HE1 PHE 93 3.567 0.244 1.997 807 HZ PHE 93 HZ PHE 93 4.328 2.579 1.821 808 H LYS 94 H LYS 94 10.852 -2.342 2.790 809 HA LYS 94 HA LYS 94 10.535 -5.154 2.611 810 HB2 LYS 94 HB3 LYS 94 12.303 -4.095 1.382 811 HB3 LYS 94 HB2 LYS 94 12.976 -3.392 2.846 812 HG2 LYS 94 HG3 LYS 94 13.488 -5.688 3.644 813 HG3 LYS 94 HG2 LYS 94 12.946 -6.302 2.081 814 HD2 LYS 94 HD3 LYS 94 14.683 -5.150 0.936 815 HD3 LYS 94 HD2 LYS 94 15.118 -4.241 2.384 816 HE2 LYS 94 HE3 LYS 94 15.806 -6.335 3.472 817 HE3 LYS 94 HE2 LYS 94 15.402 -7.219 2.000 818 HZ1 LYS 94 HZ1 LYS 94 17.116 -6.138 0.821 819 HZ2 LYS 94 HZ2 LYS 94 17.805 -6.637 2.289 820 HZ3 LYS 94 HZ3 LYS 94 17.379 -5.011 2.061 821 H ALA 95 H ALA 95 11.363 -2.979 5.213 822 HA ALA 95 HA ALA 95 12.473 -4.983 6.932 823 HB1 ALA 95 HB1 ALA 95 13.118 -2.622 7.085 824 HB2 ALA 95 HB2 ALA 95 12.510 -3.243 8.620 825 HB3 ALA 95 HB3 ALA 95 11.485 -2.218 7.615 826 H GLY 96 H GLY 96 9.371 -4.477 5.951 827 HA2 GLY 96 HA3 GLY 96 7.628 -5.908 6.786 828 HA3 GLY 96 HA2 GLY 96 8.327 -5.746 8.391 829 H PHE 97 H PHE 97 6.599 -4.027 5.856 830 HA PHE 97 HA PHE 97 6.051 -1.773 7.580 831 HB2 PHE 97 HB3 PHE 97 6.412 -1.681 5.047 832 HB3 PHE 97 HB2 PHE 97 4.790 -2.345 4.897 833 HD1 PHE 97 HD1 PHE 97 6.723 0.519 6.201 834 HD2 PHE 97 HD2 PHE 97 2.899 -0.964 5.064 835 HE1 PHE 97 HE1 PHE 97 5.800 2.791 6.363 836 HE2 PHE 97 HE2 PHE 97 1.969 1.310 5.229 837 HZ PHE 97 HZ PHE 97 3.420 3.188 5.877 838 H LEU 98 H LEU 98 3.965 -1.160 8.310 839 HA LEU 98 HA LEU 98 2.335 -3.311 9.196 840 HB2 LEU 98 HB3 LEU 98 2.643 -1.159 10.417 841 HB3 LEU 98 HB2 LEU 98 1.698 -0.358 9.177 842 HG LEU 98 HG LEU 98 -0.234 -1.831 9.782 843 HD11 LEU 98 HD11 LEU 98 1.008 -3.666 10.782 844 HD12 LEU 98 HD12 LEU 98 -0.160 -3.003 11.926 845 HD13 LEU 98 HD13 LEU 98 1.552 -2.607 12.082 846 HD21 LEU 98 HD21 LEU 98 0.903 -0.125 11.992 847 HD22 LEU 98 HD22 LEU 98 -0.781 -0.626 11.840 848 HD23 LEU 98 HD23 LEU 98 -0.066 0.443 10.632 849 H CYS 99 H CYS 99 1.401 -4.450 7.587 850 HA CYS 99 HA CYS 99 -0.458 -2.995 5.832 851 HB2 CYS 99 HB3 CYS 99 1.623 -3.705 4.628 852 HB3 CYS 99 HB2 CYS 99 1.224 -5.375 5.015 853 HG CYS 99 HG CYS 99 -0.990 -5.550 3.438 854 HA PRO 100 HA PRO 100 -3.433 -5.965 7.347 855 HB2 PRO 100 HB2 PRO 100 -4.823 -5.572 4.776 856 HB3 PRO 100 HB3 PRO 100 -5.391 -5.256 6.418 857 HG2 PRO 100 HG3 PRO 100 -4.774 -3.265 4.716 858 HG3 PRO 100 HG2 PRO 100 -4.495 -3.134 6.461 859 HD2 PRO 100 HD3 PRO 100 -2.542 -3.687 4.266 860 HD3 PRO 100 HD2 PRO 100 -2.348 -2.699 5.730 861 H ASP 101 H ASP 101 -3.920 -8.119 7.015 862 HA ASP 101 HA ASP 101 -2.276 -9.709 5.423 863 HB2 ASP 101 HB3 ASP 101 -3.448 -10.629 7.347 864 HB3 ASP 101 HB2 ASP 101 -5.005 -10.325 6.584 865 H LEU 102 H LEU 102 -5.479 -8.415 4.848 866 HA LEU 102 HA LEU 102 -6.520 -7.779 2.948 867 HB2 LEU 102 HB3 LEU 102 -4.090 -7.391 2.183 868 HB3 LEU 102 HB2 LEU 102 -4.278 -8.887 1.289 869 HG LEU 102 HG LEU 102 -6.219 -7.875 0.095 870 HD11 LEU 102 HD11 LEU 102 -6.797 -6.218 1.814 871 HD12 LEU 102 HD12 LEU 102 -6.578 -5.486 0.225 872 HD13 LEU 102 HD13 LEU 102 -5.313 -5.338 1.445 873 HD21 LEU 102 HD21 LEU 102 -3.615 -6.368 -0.104 874 HD22 LEU 102 HD22 LEU 102 -4.878 -6.412 -1.334 875 HD23 LEU 102 HD23 LEU 102 -4.004 -7.885 -0.914 876 H SER 103 H SER 103 -5.205 -11.013 3.136 877 HA SER 103 HA SER 103 -7.295 -12.005 1.359 878 HB2 SER 103 HB3 SER 103 -6.100 -14.242 1.841 879 HB3 SER 103 HB2 SER 103 -5.257 -13.042 0.862 880 HG SER 103 HG SER 103 -4.866 -12.971 3.638 881 H ASP 104 H ASP 104 -7.062 -11.243 4.533 882 HA ASP 104 HA ASP 104 -8.738 -13.405 5.522 883 HB2 ASP 104 HB3 ASP 104 -7.014 -12.382 6.997 884 HB3 ASP 104 HB2 ASP 104 -7.866 -10.845 6.895 885 H ALA 105 H ALA 105 -10.903 -13.354 5.449 886 HA ALA 105 HA ALA 105 -12.129 -11.265 3.935 887 HB1 ALA 105 HB1 ALA 105 -14.166 -12.590 4.121 888 HB2 ALA 105 HB2 ALA 105 -13.411 -13.605 5.350 889 HB3 ALA 105 HB3 ALA 105 -12.793 -13.611 3.697 890 H LYS 106 H LYS 106 -11.928 -11.968 7.353 891 HA LYS 106 HA LYS 106 -14.093 -10.191 8.042 892 HB2 LYS 106 HB3 LYS 106 -13.416 -12.131 9.476 893 HB3 LYS 106 HB2 LYS 106 -11.916 -11.287 9.839 894 HG2 LYS 106 HG3 LYS 106 -13.158 -9.481 10.884 895 HG3 LYS 106 HG2 LYS 106 -14.680 -10.271 10.474 896 HD2 LYS 106 HD3 LYS 106 -14.154 -10.710 12.784 897 HD3 LYS 106 HD2 LYS 106 -13.996 -12.206 11.863 898 HE2 LYS 106 HE3 LYS 106 -11.591 -11.950 11.799 899 HE3 LYS 106 HE2 LYS 106 -11.708 -10.393 12.617 900 HZ1 LYS 106 HZ1 LYS 106 -11.094 -12.146 14.152 901 HZ2 LYS 106 HZ2 LYS 106 -12.497 -13.021 13.765 902 HZ3 LYS 106 HZ3 LYS 106 -12.621 -11.524 14.553 903 H ASN 107 H ASN 107 -10.585 -10.130 7.983 904 HA ASN 107 HA ASN 107 -10.148 -7.499 8.861 905 HB2 ASN 107 HB3 ASN 107 -8.459 -9.385 8.356 906 HB3 ASN 107 HB2 ASN 107 -8.554 -8.853 6.684 907 HD21 ASN 107 HD22 ASN 107 -6.291 -8.889 8.452 908 HD22 ASN 107 HD21 ASN 107 -5.730 -7.261 8.592 909 H MET 108 H MET 108 -10.710 -8.825 5.626 910 HA MET 108 HA MET 108 -10.603 -6.447 4.148 911 HB2 MET 108 HB3 MET 108 -10.614 -8.735 3.182 912 HB3 MET 108 HB2 MET 108 -12.305 -8.896 3.626 913 HG2 MET 108 HG3 MET 108 -12.663 -8.242 1.519 914 HG3 MET 108 HG2 MET 108 -12.400 -6.628 2.172 915 HE1 MET 108 HE1 MET 108 -8.632 -6.002 1.238 916 HE2 MET 108 HE2 MET 108 -9.208 -6.755 2.730 917 HE3 MET 108 HE3 MET 108 -10.060 -5.365 2.055 918 H GLU 109 H GLU 109 -13.230 -7.960 5.925 919 HA GLU 109 HA GLU 109 -15.329 -6.326 4.999 920 HB2 GLU 109 HB3 GLU 109 -15.582 -8.504 6.201 921 HB3 GLU 109 HB2 GLU 109 -15.097 -7.695 7.684 922 HG2 GLU 109 HG3 GLU 109 -17.047 -6.263 7.572 923 HG3 GLU 109 HG2 GLU 109 -17.517 -6.994 6.036 924 H PHE 110 H PHE 110 -13.392 -6.158 7.982 925 HA PHE 110 HA PHE 110 -14.470 -3.711 8.883 926 HB2 PHE 110 HB3 PHE 110 -12.057 -5.333 9.542 927 HB3 PHE 110 HB2 PHE 110 -12.107 -3.663 10.097 928 HD1 PHE 110 HD2 PHE 110 -13.838 -6.926 10.279 929 HD2 PHE 110 HD1 PHE 110 -13.427 -3.022 11.920 930 HE1 PHE 110 HE2 PHE 110 -15.206 -7.600 12.211 931 HE2 PHE 110 HE1 PHE 110 -14.797 -3.686 13.856 932 HZ PHE 110 HZ PHE 110 -15.687 -5.979 14.002 933 H LEU 111 H LEU 111 -11.829 -4.490 6.724 934 HA LEU 111 HA LEU 111 -10.623 -1.966 6.571 935 HB2 LEU 111 HB3 LEU 111 -9.610 -4.019 5.704 936 HB3 LEU 111 HB2 LEU 111 -10.848 -4.125 4.470 937 HG LEU 111 HG LEU 111 -9.189 -1.659 4.510 938 HD11 LEU 111 HD11 LEU 111 -7.409 -2.765 3.242 939 HD12 LEU 111 HD12 LEU 111 -8.181 -4.326 3.524 940 HD13 LEU 111 HD13 LEU 111 -7.529 -3.407 4.880 941 HD21 LEU 111 HD21 LEU 111 -9.399 -1.922 2.084 942 HD22 LEU 111 HD22 LEU 111 -10.976 -1.949 2.873 943 HD23 LEU 111 HD23 LEU 111 -10.239 -3.453 2.322 944 H ARG 112 H ARG 112 -13.339 -3.360 4.770 945 HA ARG 112 HA ARG 112 -13.762 -1.169 3.042 946 HB2 ARG 112 HB3 ARG 112 -14.844 -3.249 2.524 947 HB3 ARG 112 HB2 ARG 112 -15.650 -3.287 4.089 948 HG2 ARG 112 HG3 ARG 112 -16.888 -1.228 3.418 949 HG3 ARG 112 HG2 ARG 112 -16.185 -1.395 1.812 950 HD2 ARG 112 HD3 ARG 112 -17.309 -3.461 1.447 951 HD3 ARG 112 HD2 ARG 112 -17.812 -3.554 3.137 952 HE ARG 112 HE ARG 112 -18.794 -1.179 1.950 953 HH11 ARG 112 HH11 ARG 112 -19.323 -4.641 1.855 954 HH12 ARG 112 HH12 ARG 112 -21.039 -4.490 1.603 955 HH21 ARG 112 HH22 ARG 112 -21.027 -0.980 1.572 956 HH22 ARG 112 HH21 ARG 112 -22.000 -2.416 1.425 957 H ASN 113 H ASN 113 -14.690 -1.800 6.342 958 HA ASN 113 HA ASN 113 -16.522 0.477 6.338 959 HB2 ASN 113 HB3 ASN 113 -16.062 -1.707 8.375 960 HB3 ASN 113 HB2 ASN 113 -17.198 -0.377 8.586 961 HD21 ASN 113 HD22 ASN 113 -17.697 -3.245 8.474 962 HD22 ASN 113 HD21 ASN 113 -18.816 -3.480 7.173 963 H TRP 114 H TRP 114 -13.453 0.532 6.430 964 HA TRP 114 HA TRP 114 -12.854 1.782 8.927 965 HB2 TRP 114 HB3 TRP 114 -11.091 0.767 7.522 966 HB3 TRP 114 HB2 TRP 114 -11.392 1.975 6.279 967 HD1 TRP 114 HD1 TRP 114 -10.530 2.147 10.081 968 HE1 TRP 114 HE1 TRP 114 -8.716 3.952 10.391 969 HE3 TRP 114 HE3 TRP 114 -10.008 3.620 5.213 970 HZ2 TRP 114 HZ2 TRP 114 -7.257 5.754 8.782 971 HZ3 TRP 114 HZ3 TRP 114 -8.379 5.385 4.683 972 HH2 TRP 114 HH2 TRP 114 -7.033 6.430 6.431 973 H ASN 115 H ASN 115 -14.380 3.341 9.311 974 HA ASN 115 HA ASN 115 -15.208 5.267 7.416 975 HB2 ASN 115 HB3 ASN 115 -15.354 5.337 10.437 976 HB3 ASN 115 HB2 ASN 115 -16.162 6.480 9.372 977 HD21 ASN 115 HD22 ASN 115 -16.176 3.296 10.694 978 HD22 ASN 115 HD21 ASN 115 -17.706 2.802 10.050 979 H GLY 116 H GLY 116 -13.120 5.670 10.292 980 HA2 GLY 116 HA3 GLY 116 -10.990 6.903 9.166 981 HA3 GLY 116 HA2 GLY 116 -12.166 8.203 9.280 982 H THR 117 H THR 117 -11.169 5.539 11.433 983 HA THR 117 HA THR 117 -10.601 7.574 13.492 984 HB THR 117 HB THR 117 -11.199 5.984 15.215 985 HG1 THR 117 HG1 THR 117 -12.237 3.937 14.357 986 HG21 THR 117 HG21 THR 117 -13.319 6.055 13.072 987 HG22 THR 117 HG22 THR 117 -13.082 7.243 14.355 988 HG23 THR 117 HG23 THR 117 -13.590 5.598 14.753 989 H PHE 118 H PHE 118 -8.830 6.999 14.954 990 HA PHE 118 HA PHE 118 -6.775 5.409 13.652 991 HB2 PHE 118 HB3 PHE 118 -6.738 7.072 16.177 992 HB3 PHE 118 HB2 PHE 118 -5.352 6.171 15.573 993 HD1 PHE 118 HD1 PHE 118 -4.170 6.883 13.592 994 HD2 PHE 118 HD2 PHE 118 -7.504 9.077 15.063 995 HE1 PHE 118 HE1 PHE 118 -3.540 8.788 12.167 996 HE2 PHE 118 HE2 PHE 118 -6.882 10.984 13.641 997 HZ PHE 118 HZ PHE 118 -4.897 10.843 12.191 998 H GLY 119 H GLY 119 -9.144 5.116 16.107 999 HA2 GLY 119 HA3 GLY 119 -7.913 2.959 17.542 1000 HA3 GLY 119 HA2 GLY 119 -9.587 3.478 17.668 1001 H LEU 120 H LEU 120 -9.891 3.181 14.681 1002 HA LEU 120 HA LEU 120 -10.950 0.584 14.667 1003 HB2 LEU 120 HB3 LEU 120 -11.310 2.703 13.098 1004 HB3 LEU 120 HB2 LEU 120 -10.164 1.844 12.088 1005 HG LEU 120 HG LEU 120 -12.695 0.551 13.091 1006 HD11 LEU 120 HD11 LEU 120 -13.319 2.549 11.858 1007 HD12 LEU 120 HD12 LEU 120 -13.697 1.097 10.928 1008 HD13 LEU 120 HD13 LEU 120 -12.281 2.066 10.519 1009 HD21 LEU 120 HD21 LEU 120 -10.986 -0.976 12.273 1010 HD22 LEU 120 HD22 LEU 120 -10.861 -0.055 10.772 1011 HD23 LEU 120 HD23 LEU 120 -12.350 -0.917 11.155 1012 H LEU 121 H LEU 121 -7.795 1.804 14.018 1013 HA LEU 121 HA LEU 121 -6.811 -0.299 12.396 1014 HB2 LEU 121 HB3 LEU 121 -5.415 1.724 14.139 1015 HB3 LEU 121 HB2 LEU 121 -4.542 0.532 13.201 1016 HG LEU 121 HG LEU 121 -4.482 2.547 11.962 1017 HD11 LEU 121 HD11 LEU 121 -6.640 0.810 10.782 1018 HD12 LEU 121 HD12 LEU 121 -4.902 0.572 10.611 1019 HD13 LEU 121 HD13 LEU 121 -5.671 1.995 9.908 1020 HD21 LEU 121 HD21 LEU 121 -6.279 3.735 13.088 1021 HD22 LEU 121 HD22 LEU 121 -7.472 2.722 12.276 1022 HD23 LEU 121 HD23 LEU 121 -6.462 3.821 11.337 1023 H ASN 122 H ASN 122 -7.536 -0.108 15.716 1024 HA ASN 122 HA ASN 122 -5.754 -2.249 16.507 1025 HB2 ASN 122 HB3 ASN 122 -8.043 -0.917 17.977 1026 HB3 ASN 122 HB2 ASN 122 -6.972 -2.127 18.675 1027 HD21 ASN 122 HD22 ASN 122 -7.478 0.659 19.417 1028 HD22 ASN 122 HD21 ASN 122 -5.937 1.442 19.399 1029 H THR 123 H THR 123 -9.033 -1.832 15.411 1030 HA THR 123 HA THR 123 -9.822 -4.514 16.137 1031 HB THR 123 HB THR 123 -11.957 -4.015 15.087 1032 HG1 THR 123 HG1 THR 123 -10.472 -2.074 13.813 1033 HG21 THR 123 HG21 THR 123 -11.556 -3.152 17.354 1034 HG22 THR 123 HG22 THR 123 -12.642 -2.104 16.439 1035 HG23 THR 123 HG23 THR 123 -10.953 -1.643 16.662 1036 H LEU 124 H LEU 124 -8.357 -2.921 13.492 1037 HA LEU 124 HA LEU 124 -8.855 -4.994 11.561 1038 HB2 LEU 124 HB3 LEU 124 -6.976 -2.639 11.627 1039 HB3 LEU 124 HB2 LEU 124 -7.008 -3.787 10.302 1040 HG LEU 124 HG LEU 124 -9.395 -2.153 11.160 1041 HD11 LEU 124 HD11 LEU 124 -7.474 -1.682 8.887 1042 HD12 LEU 124 HD12 LEU 124 -7.609 -0.701 10.345 1043 HD13 LEU 124 HD13 LEU 124 -8.952 -0.773 9.205 1044 HD21 LEU 124 HD21 LEU 124 -8.848 -3.792 8.689 1045 HD22 LEU 124 HD22 LEU 124 -10.299 -2.839 9.001 1046 HD23 LEU 124 HD23 LEU 124 -9.929 -4.240 10.008 1047 H ARG 125 H ARG 125 -7.595 -6.754 11.148 1048 HA ARG 125 HA ARG 125 -5.538 -7.393 13.064 1049 HB2 ARG 125 HB3 ARG 125 -7.207 -9.047 11.997 1050 HB3 ARG 125 HB2 ARG 125 -6.150 -9.001 10.592 1051 HG2 ARG 125 HG3 ARG 125 -4.270 -9.706 12.065 1052 HG3 ARG 125 HG2 ARG 125 -5.439 -9.906 13.372 1053 HD2 ARG 125 HD3 ARG 125 -6.696 -11.466 11.829 1054 HD3 ARG 125 HD2 ARG 125 -5.285 -11.413 10.772 1055 HE ARG 125 HE ARG 125 -5.480 -12.690 13.386 1056 HH11 ARG 125 HH11 ARG 125 -3.443 -11.761 10.699 1057 HH12 ARG 125 HH12 ARG 125 -2.216 -12.927 11.053 1058 HH21 ARG 125 HH22 ARG 125 -3.865 -14.251 13.860 1059 HH22 ARG 125 HH21 ARG 125 -2.447 -14.343 12.852 1060 H LEU 126 H LEU 126 -4.238 -5.542 12.495 1061 HA LEU 126 HA LEU 126 -2.946 -5.560 9.902 1062 HB2 LEU 126 HB3 LEU 126 -2.744 -3.707 12.269 1063 HB3 LEU 126 HB2 LEU 126 -1.813 -3.507 10.796 1064 HG LEU 126 HG LEU 126 -4.824 -3.549 10.850 1065 HD11 LEU 126 HD11 LEU 126 -4.724 -1.128 10.661 1066 HD12 LEU 126 HD12 LEU 126 -2.971 -1.179 10.848 1067 HD13 LEU 126 HD13 LEU 126 -4.017 -1.680 12.178 1068 HD21 LEU 126 HD21 LEU 126 -2.834 -2.653 8.769 1069 HD22 LEU 126 HD22 LEU 126 -4.588 -2.516 8.640 1070 HD23 LEU 126 HD23 LEU 126 -3.829 -4.108 8.700 1071 H ILE 127 H ILE 127 -1.120 -6.480 9.492 1072 HA ILE 127 HA ILE 127 0.647 -7.258 11.714 1073 HB ILE 127 HB ILE 127 1.348 -9.161 10.205 1074 HG12 ILE 127 HG13 ILE 127 -1.140 -8.306 8.705 1075 HG13 ILE 127 HG12 ILE 127 0.508 -8.272 8.091 1076 HG21 ILE 127 HG21 ILE 127 -0.586 -10.566 10.778 1077 HG22 ILE 127 HG22 ILE 127 -1.519 -9.114 11.145 1078 HG23 ILE 127 HG23 ILE 127 -0.105 -9.525 12.117 1079 HD11 ILE 127 HD11 ILE 127 -1.027 -10.745 8.845 1080 HD12 ILE 127 HD12 ILE 127 0.601 -10.694 8.175 1081 HD13 ILE 127 HD13 ILE 127 -0.767 -10.150 7.206 1082 H ARG 128 H ARG 128 2.906 -7.904 10.534 1083 HA ARG 128 HA ARG 128 3.564 -5.575 8.876 1084 HB2 ARG 128 HB3 ARG 128 5.227 -7.263 10.724 1085 HB3 ARG 128 HB2 ARG 128 5.981 -6.278 9.475 1086 HG2 ARG 128 HG3 ARG 128 4.838 -4.292 10.417 1087 HG3 ARG 128 HG2 ARG 128 4.228 -5.311 11.722 1088 HD2 ARG 128 HD3 ARG 128 6.340 -5.621 12.637 1089 HD3 ARG 128 HD2 ARG 128 7.161 -5.179 11.139 1090 HE ARG 128 HE ARG 128 5.621 -3.088 12.467 1091 HH11 ARG 128 HH11 ARG 128 8.754 -4.580 11.996 1092 HH12 ARG 128 HH12 ARG 128 9.636 -3.111 12.279 1093 HH21 ARG 128 HH22 ARG 128 6.788 -1.145 12.846 1094 HH22 ARG 128 HH21 ARG 128 8.530 -1.168 12.771 1095 H ILE 129 H ILE 129 4.509 -5.813 6.901 1096 HA ILE 129 HA ILE 129 4.748 -8.561 5.881 1097 HB ILE 129 HB ILE 129 3.084 -6.325 4.737 1098 HG12 ILE 129 HG13 ILE 129 2.488 -9.218 5.391 1099 HG13 ILE 129 HG12 ILE 129 1.980 -7.819 6.329 1100 HG21 ILE 129 HG21 ILE 129 3.990 -8.814 3.307 1101 HG22 ILE 129 HG22 ILE 129 4.416 -7.151 2.903 1102 HG23 ILE 129 HG23 ILE 129 2.748 -7.701 2.729 1103 HD11 ILE 129 HD11 ILE 129 0.154 -8.691 4.998 1104 HD12 ILE 129 HD12 ILE 129 1.105 -8.482 3.526 1105 HD13 ILE 129 HD13 ILE 129 0.602 -7.072 4.458 1106 H ASN 130 H ASN 130 6.556 -8.890 4.772 1107 HA ASN 130 HA ASN 130 8.206 -6.620 3.984 1108 HB2 ASN 130 HB3 ASN 130 8.884 -9.508 3.451 1109 HB3 ASN 130 HB2 ASN 130 9.978 -8.142 3.599 1110 HD21 ASN 130 HD22 ASN 130 8.492 -10.729 5.149 1111 HD22 ASN 130 HD21 ASN 130 9.039 -10.401 6.753 1112 H ASP 131 H ASP 131 7.382 -5.705 2.181 1113 HA ASP 131 HA ASP 131 7.152 -5.339 -0.043 1114 HB2 ASP 131 HB3 ASP 131 9.513 -5.960 0.072 1115 HB3 ASP 131 HB2 ASP 131 9.091 -7.648 -0.188 1116 H LYS 132 H LYS 132 7.574 -8.848 -0.391 1117 HA LYS 132 HA LYS 132 5.435 -8.850 -2.354 1118 HB2 LYS 132 HB3 LYS 132 7.325 -11.047 -1.483 1119 HB3 LYS 132 HB2 LYS 132 6.225 -11.131 -2.851 1120 HG2 LYS 132 HG3 LYS 132 7.421 -9.395 -3.990 1121 HG3 LYS 132 HG2 LYS 132 8.450 -9.125 -2.584 1122 HD2 LYS 132 HD3 LYS 132 9.278 -11.460 -2.818 1123 HD3 LYS 132 HD2 LYS 132 8.348 -11.594 -4.312 1124 HE2 LYS 132 HE3 LYS 132 10.675 -11.049 -4.786 1125 HE3 LYS 132 HE2 LYS 132 9.608 -9.729 -5.266 1126 HZ1 LYS 132 HZ1 LYS 132 11.526 -8.855 -4.135 1127 HZ2 LYS 132 HZ2 LYS 132 11.250 -9.854 -2.788 1128 HZ3 LYS 132 HZ3 LYS 132 10.157 -8.607 -3.165 1129 H GLY 133 H GLY 133 4.551 -8.503 0.329 1130 HA2 GLY 133 HA3 GLY 133 2.785 -9.262 1.599 1131 HA3 GLY 133 HA2 GLY 133 2.508 -10.475 0.362 1132 H GLU 134 H GLU 134 5.528 -10.122 2.158 1133 HA GLU 134 HA GLU 134 5.160 -12.868 3.100 1134 HB2 GLU 134 HB3 GLU 134 7.232 -12.159 1.856 1135 HB3 GLU 134 HB2 GLU 134 7.631 -11.133 3.226 1136 HG2 GLU 134 HG3 GLU 134 8.000 -12.966 4.633 1137 HG3 GLU 134 HG2 GLU 134 7.191 -14.081 3.529 1138 H GLN 135 H GLN 135 4.573 -13.250 5.152 1139 HA GLN 135 HA GLN 135 3.862 -10.965 6.717 1140 HB2 GLN 135 HB3 GLN 135 2.430 -12.975 6.529 1141 HB3 GLN 135 HB2 GLN 135 3.636 -13.890 7.426 1142 HG2 GLN 135 HG3 GLN 135 3.301 -12.513 9.372 1143 HG3 GLN 135 HG2 GLN 135 2.191 -11.474 8.484 1144 HE21 GLN 135 HE22 GLN 135 1.697 -12.944 10.909 1145 HE22 GLN 135 HE21 GLN 135 0.401 -14.038 10.577 1146 H VAL 136 H VAL 136 4.632 -10.241 8.588 1147 HA VAL 136 HA VAL 136 6.997 -11.571 9.750 1148 HB VAL 136 HB VAL 136 6.342 -8.642 10.042 1149 HG11 VAL 136 HG11 VAL 136 7.858 -9.576 11.694 1150 HG12 VAL 136 HG12 VAL 136 8.712 -8.457 10.630 1151 HG13 VAL 136 HG13 VAL 136 8.898 -10.197 10.411 1152 HG21 VAL 136 HG21 VAL 136 6.606 -9.075 7.659 1153 HG22 VAL 136 HG22 VAL 136 8.145 -9.877 7.968 1154 HG23 VAL 136 HG23 VAL 136 7.971 -8.153 8.290 1155 H VAL 137 H VAL 137 6.202 -12.669 11.474 1156 HA VAL 137 HA VAL 137 3.957 -11.690 12.977 1157 HB VAL 137 HB VAL 137 4.440 -13.596 14.521 1158 HG11 VAL 137 HG11 VAL 137 2.882 -13.814 12.659 1159 HG12 VAL 137 HG12 VAL 137 3.753 -15.324 12.933 1160 HG13 VAL 137 HG13 VAL 137 4.211 -14.272 11.593 1161 HG21 VAL 137 HG21 VAL 137 6.599 -14.227 12.517 1162 HG22 VAL 137 HG22 VAL 137 6.042 -15.307 13.795 1163 HG23 VAL 137 HG23 VAL 137 6.839 -13.788 14.208 1164 H GLY 138 H GLY 138 7.420 -11.928 13.512 1165 HA2 GLY 138 HA3 GLY 138 7.772 -9.567 14.836 1166 HA3 GLY 138 HA2 GLY 138 7.316 -10.696 16.104 1167 H GLY 139 H GLY 139 8.616 -12.957 14.733 1168 HA2 GLY 139 HA3 GLY 139 10.780 -13.727 14.196 1169 HA3 GLY 139 HA2 GLY 139 11.435 -12.179 14.706 1170 H ASN 140 H ASN 140 9.235 -13.175 16.962 1171 HA ASN 140 HA ASN 140 11.383 -14.176 18.692 1172 HB2 ASN 140 HB3 ASN 140 10.136 -12.158 19.452 1173 HB3 ASN 140 HB2 ASN 140 8.657 -13.114 19.470 1174 HD21 ASN 140 HD22 ASN 140 8.363 -14.670 21.078 1175 HD22 ASN 140 HD21 ASN 140 9.368 -14.728 22.493 1176 H GLU 141 H GLU 141 11.490 -16.302 18.611 1177 HA GLU 141 HA GLU 141 10.973 -18.497 18.593 1178 HB2 GLU 141 HB3 GLU 141 8.581 -17.558 20.188 1179 HB3 GLU 141 HB2 GLU 141 9.100 -19.231 20.037 1180 HG2 GLU 141 HG3 GLU 141 11.328 -18.450 20.996 1181 HG3 GLU 141 HG2 GLU 141 10.482 -16.966 21.432 Start of MODEL 15 1 H MET 1 H MET 1 0.914 22.324 30.676 2 HA MET 1 HA MET 1 -0.141 24.295 32.613 3 HB2 MET 1 HB3 MET 1 1.799 22.001 32.973 4 HB3 MET 1 HB2 MET 1 1.526 23.259 34.168 5 HG2 MET 1 HG3 MET 1 -0.887 22.582 34.185 6 HG3 MET 1 HG2 MET 1 -0.432 21.201 33.191 7 HE1 MET 1 HE1 MET 1 1.129 19.218 34.027 8 HE2 MET 1 HE2 MET 1 1.921 19.195 35.602 9 HE3 MET 1 HE3 MET 1 2.405 20.379 34.388 10 H ARG 2 H ARG 2 2.215 25.024 33.760 11 HA ARG 2 HA ARG 2 3.191 26.849 31.819 12 HB2 ARG 2 HB3 ARG 2 4.554 26.143 34.420 13 HB3 ARG 2 HB2 ARG 2 4.689 27.642 33.516 14 HG2 ARG 2 HG3 ARG 2 2.231 26.653 34.939 15 HG3 ARG 2 HG2 ARG 2 3.325 27.914 35.505 16 HD2 ARG 2 HD3 ARG 2 2.776 29.207 33.440 17 HD3 ARG 2 HD2 ARG 2 1.559 27.985 33.064 18 HE ARG 2 HE ARG 2 1.419 29.316 35.663 19 HH11 ARG 2 HH11 ARG 2 0.091 28.831 32.463 20 HH12 ARG 2 HH12 ARG 2 -1.394 29.663 32.812 21 HH21 ARG 2 HH22 ARG 2 -0.535 30.390 36.142 22 HH22 ARG 2 HH21 ARG 2 -1.755 30.553 34.908 23 H GLU 3 H GLU 3 5.004 24.402 33.646 24 HA GLU 3 HA GLU 3 7.114 24.369 31.688 25 HB2 GLU 3 HB3 GLU 3 6.752 22.470 34.007 26 HB3 GLU 3 HB2 GLU 3 8.248 22.899 33.192 27 HG2 GLU 3 HG3 GLU 3 8.511 24.222 34.988 28 HG3 GLU 3 HG2 GLU 3 7.512 25.326 34.048 29 H ASP 4 H ASP 4 4.280 22.546 32.400 30 HA ASP 4 HA ASP 4 5.029 20.318 30.698 31 HB2 ASP 4 HB3 ASP 4 3.706 19.931 32.754 32 HB3 ASP 4 HB2 ASP 4 2.407 20.916 32.091 33 H LYS 5 H LYS 5 5.227 21.156 28.663 34 HA LYS 5 HA LYS 5 2.894 22.534 27.523 35 HB2 LYS 5 HB3 LYS 5 5.772 22.505 26.592 36 HB3 LYS 5 HB2 LYS 5 4.460 23.365 25.799 37 HG2 LYS 5 HG3 LYS 5 4.182 24.800 27.714 38 HG3 LYS 5 HG2 LYS 5 5.388 23.881 28.617 39 HD2 LYS 5 HD3 LYS 5 7.100 24.533 26.997 40 HD3 LYS 5 HD2 LYS 5 5.894 25.442 26.083 41 HE2 LYS 5 HE3 LYS 5 6.626 25.989 28.957 42 HE3 LYS 5 HE2 LYS 5 7.309 26.846 27.577 43 HZ1 LYS 5 HZ1 LYS 5 5.172 27.697 27.014 44 HZ2 LYS 5 HZ2 LYS 5 5.431 28.011 28.660 45 HZ3 LYS 5 HZ3 LYS 5 4.407 26.749 28.191 46 H ILE 6 H ILE 6 2.189 21.967 25.411 47 HA ILE 6 HA ILE 6 2.084 19.161 24.973 48 HB ILE 6 HB ILE 6 1.255 21.381 23.091 49 HG12 ILE 6 HG13 ILE 6 -0.368 19.893 25.169 50 HG13 ILE 6 HG12 ILE 6 0.203 21.551 25.325 51 HG21 ILE 6 HG21 ILE 6 1.420 19.222 21.977 52 HG22 ILE 6 HG22 ILE 6 -0.268 19.708 22.142 53 HG23 ILE 6 HG23 ILE 6 0.409 18.488 23.222 54 HD11 ILE 6 HD11 ILE 6 -1.744 20.530 23.269 55 HD12 ILE 6 HD12 ILE 6 -1.158 22.189 23.393 56 HD13 ILE 6 HD13 ILE 6 -2.129 21.497 24.692 57 H ALA 7 H ALA 7 4.185 21.651 23.837 58 HA ALA 7 HA ALA 7 5.056 20.539 21.415 59 HB1 ALA 7 HB1 ALA 7 6.615 22.271 23.330 60 HB2 ALA 7 HB2 ALA 7 5.513 22.853 22.081 61 HB3 ALA 7 HB3 ALA 7 6.988 22.000 21.626 62 H ALA 8 H ALA 8 6.287 20.150 24.721 63 HA ALA 8 HA ALA 8 8.454 18.455 23.996 64 HB1 ALA 8 HB1 ALA 8 8.437 19.763 26.069 65 HB2 ALA 8 HB2 ALA 8 8.685 18.044 26.383 66 HB3 ALA 8 HB3 ALA 8 7.107 18.776 26.675 67 H LYS 9 H LYS 9 5.140 17.929 24.153 68 HA LYS 9 HA LYS 9 5.307 15.135 24.898 69 HB2 LYS 9 HB3 LYS 9 2.948 16.800 23.987 70 HB3 LYS 9 HB2 LYS 9 2.858 15.160 24.628 71 HG2 LYS 9 HG3 LYS 9 3.721 15.896 26.754 72 HG3 LYS 9 HG2 LYS 9 3.966 17.523 26.127 73 HD2 LYS 9 HD3 LYS 9 1.511 17.701 25.790 74 HD3 LYS 9 HD2 LYS 9 1.331 16.120 26.561 75 HE2 LYS 9 HE3 LYS 9 2.433 16.993 28.573 76 HE3 LYS 9 HE2 LYS 9 2.573 18.571 27.807 77 HZ1 LYS 9 HZ1 LYS 9 0.716 18.513 29.313 78 HZ2 LYS 9 HZ2 LYS 9 0.040 17.183 28.505 79 HZ3 LYS 9 HZ3 LYS 9 0.144 18.685 27.724 80 H LYS 10 H LYS 10 5.719 16.966 22.136 81 HA LYS 10 HA LYS 10 6.526 16.349 20.122 82 HB2 LYS 10 HB3 LYS 10 6.549 13.617 21.395 83 HB3 LYS 10 HB2 LYS 10 7.324 14.012 19.865 84 HG2 LYS 10 HG3 LYS 10 8.903 15.398 20.886 85 HG3 LYS 10 HG2 LYS 10 7.964 15.515 22.375 86 HD2 LYS 10 HD3 LYS 10 8.380 13.116 22.783 87 HD3 LYS 10 HD2 LYS 10 9.392 13.071 21.337 88 HE2 LYS 10 HE3 LYS 10 10.952 14.602 22.292 89 HE3 LYS 10 HE2 LYS 10 9.881 14.929 23.654 90 HZ1 LYS 10 HZ1 LYS 10 10.177 12.664 24.404 91 HZ2 LYS 10 HZ2 LYS 10 11.684 13.432 24.252 92 HZ3 LYS 10 HZ3 LYS 10 11.171 12.318 23.077 93 H LYS 11 H LYS 11 3.490 15.944 20.818 94 HA LYS 11 HA LYS 11 2.755 14.123 18.694 95 HB2 LYS 11 HB3 LYS 11 1.143 15.815 20.584 96 HB3 LYS 11 HB2 LYS 11 0.397 14.980 19.229 97 HG2 LYS 11 HG3 LYS 11 1.564 12.882 20.190 98 HG3 LYS 11 HG2 LYS 11 1.692 13.840 21.666 99 HD2 LYS 11 HD3 LYS 11 -0.699 14.122 21.746 100 HD3 LYS 11 HD2 LYS 11 -0.883 13.328 20.182 101 HE2 LYS 11 HE3 LYS 11 0.169 11.289 21.233 102 HE3 LYS 11 HE2 LYS 11 0.001 12.105 22.786 103 HZ1 LYS 11 HZ1 LYS 11 -1.855 10.629 22.384 104 HZ2 LYS 11 HZ2 LYS 11 -2.211 11.420 20.926 105 HZ3 LYS 11 HZ3 LYS 11 -2.391 12.242 22.400 106 H LEU 12 H LEU 12 4.162 16.873 18.420 107 HA LEU 12 HA LEU 12 2.417 18.207 16.535 108 HB2 LEU 12 HB3 LEU 12 5.321 18.714 17.201 109 HB3 LEU 12 HB2 LEU 12 4.304 19.748 16.219 110 HG LEU 12 HG LEU 12 3.903 19.181 19.158 111 HD11 LEU 12 HD11 LEU 12 5.853 20.575 18.742 112 HD12 LEU 12 HD12 LEU 12 4.550 21.520 19.462 113 HD13 LEU 12 HD13 LEU 12 4.884 21.650 17.735 114 HD21 LEU 12 HD21 LEU 12 2.199 20.925 19.049 115 HD22 LEU 12 HD22 LEU 12 1.791 19.572 17.995 116 HD23 LEU 12 HD23 LEU 12 2.440 21.060 17.307 117 H HIS 13 H HIS 13 4.702 15.694 16.516 118 HA HIS 13 HA HIS 13 4.946 15.858 13.586 119 HB2 HIS 13 HB3 HIS 13 6.829 14.974 15.695 120 HB3 HIS 13 HB2 HIS 13 6.791 13.992 14.236 121 HD1 HIS 13 HD1 HIS 13 9.305 15.590 14.971 122 HD2 HIS 13 HD2 HIS 13 6.299 16.983 12.451 123 HE1 HIS 13 HE1 HIS 13 10.391 17.320 13.511 124 HE2 HIS 13 HE2 HIS 13 8.623 17.948 11.830 125 H GLN 14 H GLN 14 3.903 14.390 12.438 126 HA GLN 14 HA GLN 14 2.678 12.128 13.812 127 HB2 GLN 14 HB3 GLN 14 2.294 13.151 10.988 128 HB3 GLN 14 HB2 GLN 14 1.366 11.862 11.744 129 HG2 GLN 14 HG3 GLN 14 0.506 13.436 13.394 130 HG3 GLN 14 HG2 GLN 14 1.449 14.729 12.658 131 HE21 GLN 14 HE22 GLN 14 -1.425 14.502 13.053 132 HE22 GLN 14 HE21 GLN 14 -2.132 14.644 11.479 133 H ASP 15 H ASP 15 3.523 10.150 13.709 134 HA ASP 15 HA ASP 15 5.931 9.776 12.132 135 HB2 ASP 15 HB3 ASP 15 6.309 7.810 13.475 136 HB3 ASP 15 HB2 ASP 15 5.822 9.126 14.538 137 H LYS 16 H LYS 16 2.721 9.281 11.585 138 HA LYS 16 HA LYS 16 3.115 6.854 9.993 139 HB2 LYS 16 HB3 LYS 16 0.547 8.372 10.502 140 HB3 LYS 16 HB2 LYS 16 0.700 6.772 9.790 141 HG2 LYS 16 HG3 LYS 16 1.589 5.931 11.928 142 HG3 LYS 16 HG2 LYS 16 1.351 7.530 12.633 143 HD2 LYS 16 HD3 LYS 16 -1.077 7.332 12.023 144 HD3 LYS 16 HD2 LYS 16 -0.761 5.654 11.581 145 HE2 LYS 16 HE3 LYS 16 -0.354 6.892 14.302 146 HE3 LYS 16 HE2 LYS 16 -1.660 5.804 13.839 147 HZ1 LYS 16 HZ1 LYS 16 -0.046 4.055 13.465 148 HZ2 LYS 16 HZ2 LYS 16 0.106 4.659 15.041 149 HZ3 LYS 16 HZ3 LYS 16 1.229 5.101 13.859 150 H ARG 17 H ARG 17 3.369 6.955 7.837 151 HA ARG 17 HA ARG 17 3.369 9.592 6.604 152 HB2 ARG 17 HB3 ARG 17 4.278 6.883 5.624 153 HB3 ARG 17 HB2 ARG 17 4.371 8.351 4.659 154 HG2 ARG 17 HG3 ARG 17 6.010 9.289 6.013 155 HG3 ARG 17 HG2 ARG 17 5.636 8.222 7.367 156 HD2 ARG 17 HD3 ARG 17 6.853 7.335 4.754 157 HD3 ARG 17 HD2 ARG 17 7.760 7.646 6.236 158 HE ARG 17 HE ARG 17 5.600 5.741 6.522 159 HH11 ARG 17 HH11 ARG 17 9.015 6.146 5.787 160 HH12 ARG 17 HH12 ARG 17 9.422 4.505 6.203 161 HH21 ARG 17 HH22 ARG 17 6.136 3.602 7.035 162 HH22 ARG 17 HH21 ARG 17 7.799 3.069 6.923 163 H VAL 18 H VAL 18 2.009 10.272 5.031 164 HA VAL 18 HA VAL 18 -0.570 9.164 4.967 165 HB VAL 18 HB VAL 18 0.728 11.263 3.234 166 HG11 VAL 18 HG11 VAL 18 -2.182 10.458 3.285 167 HG12 VAL 18 HG12 VAL 18 -1.067 10.198 1.944 168 HG13 VAL 18 HG13 VAL 18 -1.505 11.838 2.422 169 HG21 VAL 18 HG21 VAL 18 -1.290 11.379 5.463 170 HG22 VAL 18 HG22 VAL 18 -0.693 12.766 4.550 171 HG23 VAL 18 HG23 VAL 18 0.410 11.841 5.569 172 H HIS 19 H HIS 19 2.183 8.759 2.800 173 HA HIS 19 HA HIS 19 0.595 7.525 0.760 174 HB2 HIS 19 HB3 HIS 19 3.550 7.838 1.170 175 HB3 HIS 19 HB2 HIS 19 2.928 6.779 -0.095 176 HD1 HIS 19 HD1 HIS 19 3.615 8.219 -2.090 177 HD2 HIS 19 HD2 HIS 19 1.289 10.257 0.690 178 HE1 HIS 19 HE1 HIS 19 2.975 10.377 -3.196 179 HE2 HIS 19 HE2 HIS 19 1.350 11.450 -1.605 180 H GLU 20 H GLU 20 1.705 6.437 3.750 181 HA GLU 20 HA GLU 20 1.556 3.629 3.041 182 HB2 GLU 20 HB3 GLU 20 1.559 5.015 5.734 183 HB3 GLU 20 HB2 GLU 20 1.558 3.272 5.516 184 HG2 GLU 20 HG3 GLU 20 3.723 3.366 4.454 185 HG3 GLU 20 HG2 GLU 20 3.714 5.126 4.535 186 H LEU 21 H LEU 21 -0.411 6.075 4.645 187 HA LEU 21 HA LEU 21 -2.669 4.468 5.173 188 HB2 LEU 21 HB3 LEU 21 -2.808 7.413 4.586 189 HB3 LEU 21 HB2 LEU 21 -3.796 6.474 5.691 190 HG LEU 21 HG LEU 21 -0.883 7.163 6.101 191 HD11 LEU 21 HD11 LEU 21 -1.713 8.603 7.895 192 HD12 LEU 21 HD12 LEU 21 -3.371 8.224 7.428 193 HD13 LEU 21 HD13 LEU 21 -2.322 9.107 6.319 194 HD21 LEU 21 HD21 LEU 21 -1.195 6.243 8.339 195 HD22 LEU 21 HD22 LEU 21 -1.470 5.018 7.100 196 HD23 LEU 21 HD23 LEU 21 -2.840 5.767 7.919 197 H ALA 22 H ALA 22 -1.821 6.613 2.510 198 HA ALA 22 HA ALA 22 -4.087 6.356 0.926 199 HB1 ALA 22 HB1 ALA 22 -1.234 6.616 -0.011 200 HB2 ALA 22 HB2 ALA 22 -2.284 7.945 0.480 201 HB3 ALA 22 HB3 ALA 22 -2.678 6.992 -0.952 202 H ARG 23 H ARG 23 -1.451 4.082 1.380 203 HA ARG 23 HA ARG 23 -2.047 2.411 -0.829 204 HB2 ARG 23 HB3 ARG 23 -0.610 1.919 1.773 205 HB3 ARG 23 HB2 ARG 23 -0.841 0.643 0.582 206 HG2 ARG 23 HG3 ARG 23 0.397 1.886 -1.061 207 HG3 ARG 23 HG2 ARG 23 0.523 3.268 0.026 208 HD2 ARG 23 HD3 ARG 23 1.898 1.993 1.549 209 HD3 ARG 23 HD2 ARG 23 1.685 0.539 0.572 210 HE ARG 23 HE ARG 23 2.946 1.667 -1.192 211 HH11 ARG 23 HH11 ARG 23 3.219 2.965 2.052 212 HH12 ARG 23 HH12 ARG 23 4.740 3.745 1.740 213 HH21 ARG 23 HH22 ARG 23 4.957 2.717 -1.579 214 HH22 ARG 23 HH21 ARG 23 5.708 3.625 -0.294 215 H VAL 24 H VAL 24 -3.229 2.552 2.479 216 HA VAL 24 HA VAL 24 -4.855 0.225 2.312 217 HB VAL 24 HB VAL 24 -5.039 2.628 4.144 218 HG11 VAL 24 HG11 VAL 24 -6.503 -0.007 4.313 219 HG12 VAL 24 HG12 VAL 24 -7.227 1.562 3.960 220 HG13 VAL 24 HG13 VAL 24 -6.513 1.256 5.544 221 HG21 VAL 24 HG21 VAL 24 -4.083 1.090 5.805 222 HG22 VAL 24 HG22 VAL 24 -3.010 1.321 4.424 223 HG23 VAL 24 HG23 VAL 24 -3.963 -0.157 4.564 224 H LYS 25 H LYS 25 -5.411 3.678 1.740 225 HA LYS 25 HA LYS 25 -8.183 3.408 1.230 226 HB2 LYS 25 HB3 LYS 25 -7.054 5.579 1.774 227 HB3 LYS 25 HB2 LYS 25 -6.383 5.576 0.144 228 HG2 LYS 25 HG3 LYS 25 -8.690 5.495 -0.753 229 HG3 LYS 25 HG2 LYS 25 -9.299 5.643 0.894 230 HD2 LYS 25 HD3 LYS 25 -8.094 7.796 1.095 231 HD3 LYS 25 HD2 LYS 25 -7.616 7.649 -0.599 232 HE2 LYS 25 HE3 LYS 25 -10.440 7.795 0.452 233 HE3 LYS 25 HE2 LYS 25 -9.571 9.089 -0.369 234 HZ1 LYS 25 HZ1 LYS 25 -9.465 7.705 -2.355 235 HZ2 LYS 25 HZ2 LYS 25 -11.070 7.944 -1.870 236 HZ3 LYS 25 HZ3 LYS 25 -10.307 6.461 -1.567 237 H PHE 26 H PHE 26 -5.328 3.129 -0.822 238 HA PHE 26 HA PHE 26 -6.692 3.030 -3.287 239 HB2 PHE 26 HB3 PHE 26 -4.290 3.238 -3.301 240 HB3 PHE 26 HB2 PHE 26 -4.102 1.720 -2.426 241 HD1 PHE 26 HD1 PHE 26 -5.953 2.806 -5.492 242 HD2 PHE 26 HD2 PHE 26 -3.228 0.053 -3.727 243 HE1 PHE 26 HE1 PHE 26 -5.824 1.576 -7.620 244 HE2 PHE 26 HE2 PHE 26 -3.094 -1.180 -5.850 245 HZ PHE 26 HZ PHE 26 -4.401 -0.430 -7.798 246 H MET 27 H MET 27 -5.850 0.496 -0.955 247 HA MET 27 HA MET 27 -7.063 -1.650 -2.312 248 HB2 MET 27 HB3 MET 27 -6.647 -1.169 0.643 249 HB3 MET 27 HB2 MET 27 -7.244 -2.683 -0.022 250 HG2 MET 27 HG3 MET 27 -5.173 -2.957 -1.275 251 HG3 MET 27 HG2 MET 27 -4.574 -1.431 -0.625 252 HE1 MET 27 HE1 MET 27 -3.066 -4.303 -0.461 253 HE2 MET 27 HE2 MET 27 -2.410 -4.202 1.173 254 HE3 MET 27 HE3 MET 27 -2.369 -2.789 0.118 255 H GLN 28 H GLN 28 -8.319 0.612 0.108 256 HA GLN 28 HA GLN 28 -10.926 -0.300 0.331 257 HB2 GLN 28 HB3 GLN 28 -10.000 1.482 1.718 258 HB3 GLN 28 HB2 GLN 28 -9.904 2.541 0.320 259 HG2 GLN 28 HG3 GLN 28 -12.386 2.386 0.134 260 HG3 GLN 28 HG2 GLN 28 -12.384 1.523 1.672 261 HE21 GLN 28 HE22 GLN 28 -13.539 4.111 0.928 262 HE22 GLN 28 HE21 GLN 28 -12.871 5.254 2.039 263 H ASP 29 H ASP 29 -9.721 2.229 -1.844 264 HA ASP 29 HA ASP 29 -12.089 2.703 -3.223 265 HB2 ASP 29 HB3 ASP 29 -9.204 3.206 -3.760 266 HB3 ASP 29 HB2 ASP 29 -10.328 3.382 -5.102 267 H VAL 30 H VAL 30 -9.449 0.440 -4.012 268 HA VAL 30 HA VAL 30 -10.564 -0.270 -6.522 269 HB VAL 30 HB VAL 30 -8.148 -0.565 -5.798 270 HG11 VAL 30 HG11 VAL 30 -9.239 -3.096 -4.583 271 HG12 VAL 30 HG12 VAL 30 -8.491 -1.752 -3.718 272 HG13 VAL 30 HG13 VAL 30 -7.532 -2.727 -4.831 273 HG21 VAL 30 HG21 VAL 30 -7.818 -2.519 -7.238 274 HG22 VAL 30 HG22 VAL 30 -8.969 -1.369 -7.920 275 HG23 VAL 30 HG23 VAL 30 -9.549 -2.853 -7.163 276 H VAL 31 H VAL 31 -11.058 -1.468 -3.276 277 HA VAL 31 HA VAL 31 -12.505 -3.822 -4.084 278 HB VAL 31 HB VAL 31 -12.359 -2.416 -1.406 279 HG11 VAL 31 HG11 VAL 31 -13.567 -5.098 -2.073 280 HG12 VAL 31 HG12 VAL 31 -14.450 -3.655 -1.578 281 HG13 VAL 31 HG13 VAL 31 -13.347 -4.444 -0.450 282 HG21 VAL 31 HG21 VAL 31 -11.047 -4.953 -2.374 283 HG22 VAL 31 HG22 VAL 31 -10.914 -4.268 -0.752 284 HG23 VAL 31 HG23 VAL 31 -10.244 -3.400 -2.134 285 H ASN 32 H ASN 32 -13.291 -0.522 -3.178 286 HA ASN 32 HA ASN 32 -16.138 -1.021 -3.159 287 HB2 ASN 32 HB3 ASN 32 -14.436 1.430 -2.769 288 HB3 ASN 32 HB2 ASN 32 -16.179 1.570 -2.984 289 HD21 ASN 32 HD22 ASN 32 -13.621 0.569 -0.887 290 HD22 ASN 32 HD21 ASN 32 -14.602 0.303 0.515 291 H SER 33 H SER 33 -13.774 -0.232 -5.465 292 HA SER 33 HA SER 33 -15.707 0.857 -7.353 293 HB2 SER 33 HB3 SER 33 -13.556 1.967 -7.314 294 HB3 SER 33 HB2 SER 33 -12.712 0.433 -7.519 295 HG SER 33 HG SER 33 -12.804 1.408 -9.504 296 H ASP 34 H ASP 34 -15.959 -0.112 -9.459 297 HA ASP 34 HA ASP 34 -16.438 -2.895 -9.315 298 HB2 ASP 34 HB3 ASP 34 -16.541 -0.892 -11.548 299 HB3 ASP 34 HB2 ASP 34 -16.772 -2.607 -11.871 300 H THR 35 H THR 35 -13.567 -1.292 -9.761 301 HA THR 35 HA THR 35 -12.194 -2.765 -11.674 302 HB THR 35 HB THR 35 -10.984 -1.821 -9.071 303 HG1 THR 35 HG1 THR 35 -12.022 -0.390 -11.265 304 HG21 THR 35 HG21 THR 35 -9.503 -3.111 -10.536 305 HG22 THR 35 HG22 THR 35 -9.006 -1.421 -10.470 306 HG23 THR 35 HG23 THR 35 -9.878 -2.030 -11.877 307 H PHE 36 H PHE 36 -12.473 -3.401 -8.160 308 HA PHE 36 HA PHE 36 -12.047 -6.248 -8.744 309 HB2 PHE 36 HB3 PHE 36 -10.479 -4.544 -6.853 310 HB3 PHE 36 HB2 PHE 36 -10.781 -6.225 -6.432 311 HD1 PHE 36 HD1 PHE 36 -9.837 -8.032 -7.767 312 HD2 PHE 36 HD2 PHE 36 -8.989 -3.957 -8.653 313 HE1 PHE 36 HE1 PHE 36 -7.944 -8.735 -9.172 314 HE2 PHE 36 HE2 PHE 36 -7.095 -4.654 -10.059 315 HZ PHE 36 HZ PHE 36 -6.570 -7.045 -10.319 316 H LYS 37 H LYS 37 -14.377 -4.490 -8.045 317 HA LYS 37 HA LYS 37 -15.226 -5.159 -5.420 318 HB2 LYS 37 HB3 LYS 37 -16.106 -3.256 -6.802 319 HB3 LYS 37 HB2 LYS 37 -16.964 -4.432 -7.785 320 HG2 LYS 37 HG3 LYS 37 -18.302 -5.102 -5.890 321 HG3 LYS 37 HG2 LYS 37 -17.378 -4.037 -4.827 322 HD2 LYS 37 HD3 LYS 37 -19.521 -3.035 -5.462 323 HD3 LYS 37 HD2 LYS 37 -18.160 -2.093 -6.072 324 HE2 LYS 37 HE3 LYS 37 -18.427 -3.169 -8.268 325 HE3 LYS 37 HE2 LYS 37 -19.820 -4.055 -7.650 326 HZ1 LYS 37 HZ1 LYS 37 -19.646 -1.092 -7.726 327 HZ2 LYS 37 HZ2 LYS 37 -21.012 -2.029 -7.357 328 HZ3 LYS 37 HZ3 LYS 37 -20.386 -2.030 -8.930 329 H GLY 38 H GLY 38 -14.758 -7.134 -8.027 330 HA2 GLY 38 HA3 GLY 38 -16.970 -8.892 -7.875 331 HA3 GLY 38 HA2 GLY 38 -15.367 -9.304 -8.474 332 H GLN 39 H GLN 39 -13.718 -9.178 -6.466 333 HA GLN 39 HA GLN 39 -14.875 -10.850 -4.336 334 HB2 GLN 39 HB3 GLN 39 -12.109 -10.924 -5.547 335 HB3 GLN 39 HB2 GLN 39 -12.559 -11.789 -4.085 336 HG2 GLN 39 HG3 GLN 39 -13.877 -12.189 -6.759 337 HG3 GLN 39 HG2 GLN 39 -12.543 -13.167 -6.151 338 HE21 GLN 39 HE22 GLN 39 -13.681 -15.050 -6.112 339 HE22 GLN 39 HE21 GLN 39 -14.966 -15.366 -4.988 340 HA PRO 40 HA PRO 40 -13.684 -7.172 -2.019 341 HB2 PRO 40 HB2 PRO 40 -14.972 -8.586 0.211 342 HB3 PRO 40 HB3 PRO 40 -15.376 -7.026 -0.510 343 HG2 PRO 40 HG3 PRO 40 -16.941 -9.185 -0.844 344 HG3 PRO 40 HG2 PRO 40 -16.733 -7.970 -2.120 345 HD2 PRO 40 HD3 PRO 40 -15.443 -10.663 -1.835 346 HD3 PRO 40 HD2 PRO 40 -16.116 -9.884 -3.285 347 H ILE 41 H ILE 41 -12.934 -10.483 -1.387 348 HA ILE 41 HA ILE 41 -10.855 -9.667 0.538 349 HB ILE 41 HB ILE 41 -11.896 -12.483 0.244 350 HG12 ILE 41 HG13 ILE 41 -13.803 -11.095 0.891 351 HG13 ILE 41 HG12 ILE 41 -13.282 -12.098 2.239 352 HG21 ILE 41 HG21 ILE 41 -9.715 -12.189 1.317 353 HG22 ILE 41 HG22 ILE 41 -10.924 -12.792 2.451 354 HG23 ILE 41 HG23 ILE 41 -10.445 -11.094 2.494 355 HD11 ILE 41 HD11 ILE 41 -13.851 -9.873 2.991 356 HD12 ILE 41 HD12 ILE 41 -12.684 -9.174 1.867 357 HD13 ILE 41 HD13 ILE 41 -12.127 -10.174 3.209 358 H PHE 42 H PHE 42 -8.750 -10.305 0.138 359 HA PHE 42 HA PHE 42 -8.308 -11.645 -2.449 360 HB2 PHE 42 HB3 PHE 42 -6.675 -9.427 -1.192 361 HB3 PHE 42 HB2 PHE 42 -6.265 -10.261 -2.687 362 HD1 PHE 42 HD2 PHE 42 -7.800 -10.042 -4.657 363 HD2 PHE 42 HD1 PHE 42 -8.175 -7.625 -1.176 364 HE1 PHE 42 HE2 PHE 42 -9.143 -8.422 -5.930 365 HE2 PHE 42 HE1 PHE 42 -9.520 -6.001 -2.441 366 HZ PHE 42 HZ PHE 42 -10.005 -6.398 -4.823 367 H ASP 43 H ASP 43 -5.521 -11.830 -2.224 368 HA ASP 43 HA ASP 43 -5.099 -13.479 0.166 369 HB2 ASP 43 HB3 ASP 43 -4.142 -15.250 -1.088 370 HB3 ASP 43 HB2 ASP 43 -5.624 -14.836 -1.944 371 H HIS 44 H HIS 44 -2.514 -14.192 -0.155 372 HA HIS 44 HA HIS 44 -1.264 -11.679 0.437 373 HB2 HIS 44 HB3 HIS 44 -0.230 -14.512 0.512 374 HB3 HIS 44 HB2 HIS 44 0.738 -13.113 0.967 375 HD1 HIS 44 HD1 HIS 44 -0.610 -15.632 2.720 376 HD2 HIS 44 HD2 HIS 44 -1.427 -11.550 2.849 377 HE1 HIS 44 HE1 HIS 44 -1.607 -15.205 4.989 378 HE2 HIS 44 HE2 HIS 44 -2.262 -12.771 4.982 379 H ALA 45 H ALA 45 -1.370 -13.725 -2.363 380 HA ALA 45 HA ALA 45 1.027 -12.686 -3.567 381 HB1 ALA 45 HB1 ALA 45 0.090 -14.842 -4.262 382 HB2 ALA 45 HB2 ALA 45 0.216 -13.724 -5.620 383 HB3 ALA 45 HB3 ALA 45 -1.350 -14.019 -4.862 384 H HIS 46 H HIS 46 -2.416 -11.942 -3.752 385 HA HIS 46 HA HIS 46 -2.124 -9.757 -5.530 386 HB2 HIS 46 HB3 HIS 46 -4.270 -10.610 -3.616 387 HB3 HIS 46 HB2 HIS 46 -4.355 -9.026 -4.381 388 HD1 HIS 46 HD1 HIS 46 -4.665 -12.684 -5.104 389 HD2 HIS 46 HD2 HIS 46 -4.890 -9.050 -7.134 390 HE1 HIS 46 HE1 HIS 46 -5.696 -13.207 -7.344 391 HE2 HIS 46 HE2 HIS 46 -5.724 -11.018 -8.595 392 H THR 47 H THR 47 -1.675 -10.134 -2.090 393 HA THR 47 HA THR 47 -1.464 -7.477 -1.296 394 HB THR 47 HB THR 47 0.234 -9.838 -0.460 395 HG1 THR 47 HG1 THR 47 -2.042 -8.635 0.767 396 HG21 THR 47 HG21 THR 47 0.863 -8.561 1.487 397 HG22 THR 47 HG22 THR 47 -0.126 -7.197 0.957 398 HG23 THR 47 HG23 THR 47 1.304 -7.659 0.035 399 H ARG 48 H ARG 48 1.214 -9.591 -2.348 400 HA ARG 48 HA ARG 48 3.195 -7.670 -2.592 401 HB2 ARG 48 HB3 ARG 48 3.620 -10.076 -2.750 402 HB3 ARG 48 HB2 ARG 48 2.761 -10.142 -4.282 403 HG2 ARG 48 HG3 ARG 48 4.498 -8.469 -5.126 404 HG3 ARG 48 HG2 ARG 48 5.414 -8.884 -3.677 405 HD2 ARG 48 HD3 ARG 48 6.116 -10.213 -5.617 406 HD3 ARG 48 HD2 ARG 48 5.445 -11.221 -4.334 407 HE ARG 48 HE ARG 48 3.493 -11.543 -5.649 408 HH11 ARG 48 HH11 ARG 48 6.036 -9.808 -7.318 409 HH12 ARG 48 HH12 ARG 48 5.356 -10.075 -8.892 410 HH21 ARG 48 HH22 ARG 48 2.603 -11.921 -7.710 411 HH22 ARG 48 HH21 ARG 48 3.397 -11.270 -9.119 412 H GLU 49 H GLU 49 0.919 -8.837 -5.007 413 HA GLU 49 HA GLU 49 1.688 -7.354 -7.204 414 HB2 GLU 49 HB3 GLU 49 -0.852 -8.588 -6.255 415 HB3 GLU 49 HB2 GLU 49 -0.911 -7.541 -7.675 416 HG2 GLU 49 HG3 GLU 49 0.631 -8.951 -8.841 417 HG3 GLU 49 HG2 GLU 49 0.927 -9.904 -7.388 418 H PHE 50 H PHE 50 -0.747 -6.464 -4.743 419 HA PHE 50 HA PHE 50 -1.242 -3.921 -5.918 420 HB2 PHE 50 HB3 PHE 50 -2.104 -5.316 -3.443 421 HB3 PHE 50 HB2 PHE 50 -2.244 -3.559 -3.473 422 HD1 PHE 50 HD1 PHE 50 -3.373 -6.689 -5.063 423 HD2 PHE 50 HD2 PHE 50 -3.842 -2.469 -4.831 424 HE1 PHE 50 HE1 PHE 50 -5.462 -6.851 -6.362 425 HE2 PHE 50 HE2 PHE 50 -5.926 -2.622 -6.121 426 HZ PHE 50 HZ PHE 50 -6.736 -4.807 -6.892 427 H ILE 51 H ILE 51 0.875 -5.015 -3.309 428 HA ILE 51 HA ILE 51 1.632 -2.506 -2.325 429 HB ILE 51 HB ILE 51 3.277 -5.032 -2.515 430 HG12 ILE 51 HG13 ILE 51 1.754 -3.781 -0.215 431 HG13 ILE 51 HG12 ILE 51 1.259 -5.212 -1.116 432 HG21 ILE 51 HG21 ILE 51 4.740 -3.094 -2.342 433 HG22 ILE 51 HG22 ILE 51 4.742 -4.011 -0.835 434 HG23 ILE 51 HG23 ILE 51 3.824 -2.511 -0.953 435 HD11 ILE 51 HD11 ILE 51 3.734 -4.967 0.580 436 HD12 ILE 51 HD12 ILE 51 3.228 -6.402 -0.315 437 HD13 ILE 51 HD13 ILE 51 2.245 -5.803 1.022 438 H GLN 52 H GLN 52 3.123 -4.500 -4.865 439 HA GLN 52 HA GLN 52 5.134 -2.668 -5.574 440 HB2 GLN 52 HB3 GLN 52 3.860 -4.967 -7.039 441 HB3 GLN 52 HB2 GLN 52 5.114 -3.981 -7.782 442 HG2 GLN 52 HG3 GLN 52 5.404 -5.525 -5.214 443 HG3 GLN 52 HG2 GLN 52 6.005 -6.030 -6.793 444 HE21 GLN 52 HE22 GLN 52 7.466 -5.510 -4.324 445 HE22 GLN 52 HE21 GLN 52 8.626 -4.290 -4.705 446 H SER 53 H SER 53 1.830 -3.082 -6.738 447 HA SER 53 HA SER 53 1.956 -1.437 -8.982 448 HB2 SER 53 HB3 SER 53 -0.371 -1.912 -7.105 449 HB3 SER 53 HB2 SER 53 -0.498 -1.182 -8.705 450 HG SER 53 HG SER 53 0.331 -3.826 -8.062 451 H PHE 54 H PHE 54 1.344 -0.592 -5.586 452 HA PHE 54 HA PHE 54 0.825 2.156 -6.159 453 HB2 PHE 54 HB3 PHE 54 0.069 0.892 -4.087 454 HB3 PHE 54 HB2 PHE 54 1.723 1.036 -3.502 455 HD1 PHE 54 HD1 PHE 54 2.655 3.248 -2.948 456 HD2 PHE 54 HD2 PHE 54 -1.420 2.749 -4.069 457 HE1 PHE 54 HE1 PHE 54 2.136 5.471 -2.035 458 HE2 PHE 54 HE2 PHE 54 -1.947 4.975 -3.160 459 HZ PHE 54 HZ PHE 54 -0.166 6.339 -2.142 460 H ILE 55 H ILE 55 3.675 0.333 -5.104 461 HA ILE 55 HA ILE 55 5.352 2.596 -4.738 462 HB ILE 55 HB ILE 55 6.162 -0.253 -5.357 463 HG12 ILE 55 HG13 ILE 55 5.828 1.147 -2.692 464 HG13 ILE 55 HG12 ILE 55 4.730 -0.061 -3.349 465 HG21 ILE 55 HG21 ILE 55 7.981 1.318 -5.731 466 HG22 ILE 55 HG22 ILE 55 8.289 0.357 -4.285 467 HG23 ILE 55 HG23 ILE 55 7.725 2.021 -4.133 468 HD11 ILE 55 HD11 ILE 55 6.208 -1.014 -1.674 469 HD12 ILE 55 HD12 ILE 55 7.613 -0.518 -2.618 470 HD13 ILE 55 HD13 ILE 55 6.502 -1.728 -3.259 471 H GLU 56 H GLU 56 4.541 0.596 -7.490 472 HA GLU 56 HA GLU 56 6.467 1.566 -9.300 473 HB2 GLU 56 HB3 GLU 56 5.128 -0.439 -9.717 474 HB3 GLU 56 HB2 GLU 56 3.667 0.534 -9.791 475 HG2 GLU 56 HG3 GLU 56 4.498 1.652 -11.784 476 HG3 GLU 56 HG2 GLU 56 5.984 0.705 -11.702 477 H ARG 57 H ARG 57 3.259 2.717 -8.378 478 HA ARG 57 HA ARG 57 3.182 4.794 -10.341 479 HB2 ARG 57 HB3 ARG 57 1.529 4.349 -7.856 480 HB3 ARG 57 HB2 ARG 57 1.220 5.618 -9.034 481 HG2 ARG 57 HG3 ARG 57 0.953 3.861 -10.768 482 HG3 ARG 57 HG2 ARG 57 1.106 2.649 -9.494 483 HD2 ARG 57 HD3 ARG 57 -0.844 3.589 -8.366 484 HD3 ARG 57 HD2 ARG 57 -0.994 4.807 -9.632 485 HE ARG 57 HE ARG 57 -1.119 1.977 -10.386 486 HH11 ARG 57 HH11 ARG 57 -2.672 5.091 -10.022 487 HH12 ARG 57 HH12 ARG 57 -4.141 4.608 -10.824 488 HH21 ARG 57 HH22 ARG 57 -3.033 1.333 -11.471 489 HH22 ARG 57 HH21 ARG 57 -4.346 2.459 -11.656 490 H ASP 58 H ASP 58 5.001 4.481 -7.599 491 HA ASP 58 HA ASP 58 5.014 7.128 -6.581 492 HB2 ASP 58 HB3 ASP 58 6.039 5.101 -5.471 493 HB3 ASP 58 HB2 ASP 58 7.340 5.195 -6.656 494 H ASP 59 H ASP 59 6.316 5.593 -9.362 495 HA ASP 59 HA ASP 59 8.330 7.429 -10.070 496 HB2 ASP 59 HB3 ASP 59 8.249 5.271 -11.131 497 HB3 ASP 59 HB2 ASP 59 6.629 5.578 -11.746 498 H THR 60 H THR 60 4.893 7.631 -10.193 499 HA THR 60 HA THR 60 4.642 9.485 -12.308 500 HB THR 60 HB THR 60 2.791 9.108 -9.951 501 HG1 THR 60 HG1 THR 60 3.384 7.540 -12.146 502 HG21 THR 60 HG21 THR 60 2.335 11.146 -11.240 503 HG22 THR 60 HG22 THR 60 1.062 9.947 -11.470 504 HG23 THR 60 HG23 THR 60 2.277 10.196 -12.724 505 H GLU 61 H GLU 61 5.114 9.889 -8.828 506 HA GLU 61 HA GLU 61 4.962 12.752 -8.919 507 HB2 GLU 61 HB3 GLU 61 6.233 10.962 -6.837 508 HB3 GLU 61 HB2 GLU 61 5.878 12.673 -6.642 509 HG2 GLU 61 HG3 GLU 61 3.468 12.136 -6.968 510 HG3 GLU 61 HG2 GLU 61 3.904 10.427 -6.952 511 H LEU 62 H LEU 62 7.500 10.342 -8.981 512 HA LEU 62 HA LEU 62 9.727 12.053 -9.006 513 HB2 LEU 62 HB3 LEU 62 9.826 9.631 -8.602 514 HB3 LEU 62 HB2 LEU 62 9.351 9.331 -10.260 515 HG LEU 62 HG LEU 62 11.458 10.312 -11.048 516 HD11 LEU 62 HD11 LEU 62 13.233 10.852 -9.466 517 HD12 LEU 62 HD12 LEU 62 12.137 10.549 -8.118 518 HD13 LEU 62 HD13 LEU 62 11.831 11.893 -9.218 519 HD21 LEU 62 HD21 LEU 62 11.735 8.148 -8.967 520 HD22 LEU 62 HD22 LEU 62 12.937 8.526 -10.204 521 HD23 LEU 62 HD23 LEU 62 11.345 7.930 -10.673 522 H ASP 63 H ASP 63 7.521 11.012 -11.493 523 HA ASP 63 HA ASP 63 9.014 11.800 -13.754 524 HB2 ASP 63 HB3 ASP 63 6.892 10.287 -13.546 525 HB3 ASP 63 HB2 ASP 63 6.013 11.804 -13.705 526 H GLU 64 H GLU 64 6.936 13.495 -11.540 527 HA GLU 64 HA GLU 64 6.660 15.871 -13.084 528 HB2 GLU 64 HB3 GLU 64 6.404 15.321 -10.126 529 HB3 GLU 64 HB2 GLU 64 6.076 16.893 -10.847 530 HG2 GLU 64 HG3 GLU 64 4.675 14.345 -11.618 531 HG3 GLU 64 HG2 GLU 64 4.055 15.519 -10.455 532 H LEU 65 H LEU 65 8.982 14.686 -10.746 533 HA LEU 65 HA LEU 65 10.502 17.095 -10.587 534 HB2 LEU 65 HB3 LEU 65 11.296 14.245 -9.980 535 HB3 LEU 65 HB2 LEU 65 12.213 15.670 -9.529 536 HG LEU 65 HG LEU 65 9.440 15.014 -8.532 537 HD11 LEU 65 HD11 LEU 65 11.086 13.449 -7.669 538 HD12 LEU 65 HD12 LEU 65 10.546 14.549 -6.401 539 HD13 LEU 65 HD13 LEU 65 12.117 14.790 -7.166 540 HD21 LEU 65 HD21 LEU 65 9.839 16.836 -6.947 541 HD22 LEU 65 HD22 LEU 65 9.871 17.409 -8.615 542 HD23 LEU 65 HD23 LEU 65 11.380 17.181 -7.732 543 H LYS 66 H LYS 66 10.387 14.388 -12.739 544 HA LYS 66 HA LYS 66 12.878 14.685 -14.026 545 HB2 LYS 66 HB3 LYS 66 10.241 13.664 -15.104 546 HB3 LYS 66 HB2 LYS 66 11.788 13.486 -15.919 547 HG2 LYS 66 HG3 LYS 66 12.600 12.072 -14.137 548 HG3 LYS 66 HG2 LYS 66 11.110 12.329 -13.223 549 HD2 LYS 66 HD3 LYS 66 9.921 11.407 -15.316 550 HD3 LYS 66 HD2 LYS 66 11.514 10.804 -15.776 551 HE2 LYS 66 HE3 LYS 66 11.658 9.491 -13.770 552 HE3 LYS 66 HE2 LYS 66 10.175 10.208 -13.143 553 HZ1 LYS 66 HZ1 LYS 66 9.048 9.222 -15.155 554 HZ2 LYS 66 HZ2 LYS 66 9.588 8.107 -13.990 555 HZ3 LYS 66 HZ3 LYS 66 10.471 8.335 -15.419 556 H LYS 67 H LYS 67 9.724 16.173 -14.563 557 HA LYS 67 HA LYS 67 10.409 17.385 -17.046 558 HB2 LYS 67 HB3 LYS 67 8.177 18.128 -15.150 559 HB3 LYS 67 HB2 LYS 67 8.283 18.542 -16.855 560 HG2 LYS 67 HG3 LYS 67 8.169 16.150 -17.420 561 HG3 LYS 67 HG2 LYS 67 7.991 15.778 -15.704 562 HD2 LYS 67 HD3 LYS 67 5.952 17.218 -15.678 563 HD3 LYS 67 HD2 LYS 67 6.101 17.369 -17.431 564 HE2 LYS 67 HE3 LYS 67 4.517 15.637 -16.963 565 HE3 LYS 67 HE2 LYS 67 5.985 14.889 -17.590 566 HZ1 LYS 67 HZ1 LYS 67 5.062 14.982 -14.769 567 HZ2 LYS 67 HZ2 LYS 67 6.626 14.497 -15.223 568 HZ3 LYS 67 HZ3 LYS 67 5.289 13.613 -15.751 569 H LYS 68 H LYS 68 10.864 18.293 -13.748 570 HA LYS 68 HA LYS 68 11.090 21.115 -14.281 571 HB2 LYS 68 HB3 LYS 68 11.822 19.520 -11.821 572 HB3 LYS 68 HB2 LYS 68 11.773 21.276 -11.919 573 HG2 LYS 68 HG3 LYS 68 9.374 21.161 -12.440 574 HG3 LYS 68 HG2 LYS 68 9.439 19.407 -12.271 575 HD2 LYS 68 HD3 LYS 68 10.114 19.648 -9.938 576 HD3 LYS 68 HD2 LYS 68 10.087 21.405 -10.105 577 HE2 LYS 68 HE3 LYS 68 7.727 19.548 -10.410 578 HE3 LYS 68 HE2 LYS 68 8.049 20.598 -9.031 579 HZ1 LYS 68 HZ1 LYS 68 7.903 22.510 -10.581 580 HZ2 LYS 68 HZ2 LYS 68 6.450 21.643 -10.440 581 HZ3 LYS 68 HZ3 LYS 68 7.425 21.444 -11.811 582 H ARG 69 H ARG 69 12.945 18.750 -15.263 583 HA ARG 69 HA ARG 69 15.567 19.734 -14.558 584 HB2 ARG 69 HB3 ARG 69 15.266 17.371 -14.892 585 HB3 ARG 69 HB2 ARG 69 14.571 17.626 -16.481 586 HG2 ARG 69 HG3 ARG 69 16.740 18.375 -17.312 587 HG3 ARG 69 HG2 ARG 69 17.436 18.133 -15.704 588 HD2 ARG 69 HD3 ARG 69 17.159 15.810 -15.811 589 HD3 ARG 69 HD2 ARG 69 16.018 15.920 -17.148 590 HE ARG 69 HE ARG 69 18.528 16.927 -17.947 591 HH11 ARG 69 HH11 ARG 69 16.975 13.912 -17.103 592 HH12 ARG 69 HH12 ARG 69 17.905 12.961 -18.223 593 HH21 ARG 69 HH22 ARG 69 19.792 15.686 -19.408 594 HH22 ARG 69 HH21 ARG 69 19.529 13.966 -19.513 595 H ARG 70 H ARG 70 13.185 20.792 -16.578 596 HA ARG 70 HA ARG 70 14.803 21.638 -18.820 597 HB2 ARG 70 HB3 ARG 70 12.004 22.491 -18.055 598 HB3 ARG 70 HB2 ARG 70 12.775 22.721 -19.616 599 HG2 ARG 70 HG3 ARG 70 12.816 20.315 -19.967 600 HG3 ARG 70 HG2 ARG 70 12.081 20.063 -18.384 601 HD2 ARG 70 HD3 ARG 70 10.857 21.462 -20.758 602 HD3 ARG 70 HD2 ARG 70 10.375 19.909 -20.076 603 HE ARG 70 HE ARG 70 10.114 22.461 -18.614 604 HH11 ARG 70 HH11 ARG 70 8.803 19.386 -19.671 605 HH12 ARG 70 HH12 ARG 70 7.358 19.544 -18.718 606 HH21 ARG 70 HH22 ARG 70 8.214 22.659 -17.365 607 HH22 ARG 70 HH21 ARG 70 7.026 21.381 -17.409 608 H SER 71 H SER 71 15.742 22.538 -16.270 609 HA SER 71 HA SER 71 15.494 25.441 -16.619 610 HB2 SER 71 HB3 SER 71 15.521 25.669 -14.128 611 HB3 SER 71 HB2 SER 71 14.070 24.871 -14.734 612 HG SER 71 HG SER 71 14.657 23.053 -13.803 613 H ASN 72 H ASN 72 17.298 26.471 -15.038 614 HA ASN 72 HA ASN 72 19.792 25.270 -15.910 615 HB2 ASN 72 HB3 ASN 72 20.864 27.291 -14.962 616 HB3 ASN 72 HB2 ASN 72 19.594 27.688 -16.109 617 HD21 ASN 72 HD22 ASN 72 19.330 29.747 -15.281 618 HD22 ASN 72 HD21 ASN 72 18.572 30.041 -13.750 619 H ARG 73 H ARG 73 17.762 24.937 -13.334 620 HA ARG 73 HA ARG 73 19.768 23.491 -11.844 621 HB2 ARG 73 HB3 ARG 73 19.084 24.572 -9.680 622 HB3 ARG 73 HB2 ARG 73 19.997 25.613 -10.763 623 HG2 ARG 73 HG3 ARG 73 17.890 26.653 -11.498 624 HG3 ARG 73 HG2 ARG 73 17.017 25.647 -10.342 625 HD2 ARG 73 HD3 ARG 73 18.263 26.666 -8.510 626 HD3 ARG 73 HD2 ARG 73 19.156 27.658 -9.664 627 HE ARG 73 HE ARG 73 16.541 28.219 -10.192 628 HH11 ARG 73 HH11 ARG 73 18.562 28.341 -7.331 629 HH12 ARG 73 HH12 ARG 73 17.665 29.639 -6.603 630 HH21 ARG 73 HH22 ARG 73 15.349 29.923 -9.222 631 HH22 ARG 73 HH21 ARG 73 15.838 30.521 -7.662 632 HA PRO 74 HA PRO 74 15.764 21.220 -12.003 633 HB2 PRO 74 HB2 PRO 74 17.017 18.783 -11.991 634 HB3 PRO 74 HB3 PRO 74 16.638 19.681 -13.465 635 HG2 PRO 74 HG3 PRO 74 19.216 19.522 -11.952 636 HG3 PRO 74 HG2 PRO 74 18.939 19.454 -13.704 637 HD2 PRO 74 HD3 PRO 74 19.795 21.697 -12.508 638 HD3 PRO 74 HD2 PRO 74 18.660 21.748 -13.875 639 HA PRO 75 HA PRO 75 15.652 20.284 -7.665 640 HB2 PRO 75 HB2 PRO 75 13.969 18.135 -7.621 641 HB3 PRO 75 HB3 PRO 75 13.421 19.810 -7.817 642 HG2 PRO 75 HG3 PRO 75 13.798 17.679 -9.869 643 HG3 PRO 75 HG2 PRO 75 12.545 18.928 -9.765 644 HD2 PRO 75 HD3 PRO 75 14.674 19.085 -11.454 645 HD3 PRO 75 HD2 PRO 75 13.867 20.511 -10.774 646 H SER 76 H SER 76 18.010 19.312 -8.533 647 HA SER 76 HA SER 76 18.490 16.601 -8.574 648 HB2 SER 76 HB3 SER 76 20.749 17.255 -7.551 649 HB3 SER 76 HB2 SER 76 20.293 18.065 -9.050 650 HG SER 76 HG SER 76 21.091 19.514 -7.426 651 H ASN 77 H ASN 77 18.402 18.724 -5.732 652 HA ASN 77 HA ASN 77 18.850 16.775 -3.776 653 HB2 ASN 77 HB3 ASN 77 17.231 19.325 -3.575 654 HB3 ASN 77 HB2 ASN 77 17.790 18.372 -2.205 655 HD21 ASN 77 HD22 ASN 77 19.953 18.388 -1.653 656 HD22 ASN 77 HD21 ASN 77 21.048 19.583 -2.272 657 H ARG 78 H ARG 78 15.871 17.812 -5.343 658 HA ARG 78 HA ARG 78 14.218 16.407 -3.442 659 HB2 ARG 78 HB3 ARG 78 13.371 17.710 -6.031 660 HB3 ARG 78 HB2 ARG 78 12.343 17.283 -4.667 661 HG2 ARG 78 HG3 ARG 78 13.599 18.909 -3.276 662 HG3 ARG 78 HG2 ARG 78 14.489 19.394 -4.720 663 HD2 ARG 78 HD3 ARG 78 12.229 19.885 -5.766 664 HD3 ARG 78 HD2 ARG 78 11.555 19.712 -4.145 665 HE ARG 78 HE ARG 78 13.548 21.749 -4.938 666 HH11 ARG 78 HH11 ARG 78 10.959 20.649 -2.838 667 HH12 ARG 78 HH12 ARG 78 10.794 22.182 -2.034 668 HH21 ARG 78 HH22 ARG 78 13.317 23.769 -3.878 669 HH22 ARG 78 HH21 ARG 78 12.112 23.949 -2.634 670 H GLN 79 H GLN 79 15.291 15.939 -6.778 671 HA GLN 79 HA GLN 79 13.760 13.647 -7.364 672 HB2 GLN 79 HB3 GLN 79 16.534 14.407 -8.311 673 HB3 GLN 79 HB2 GLN 79 15.557 13.125 -9.009 674 HG2 GLN 79 HG3 GLN 79 13.924 14.714 -9.770 675 HG3 GLN 79 HG2 GLN 79 14.760 16.028 -8.942 676 HE21 GLN 79 HE22 GLN 79 14.115 15.755 -11.773 677 HE22 GLN 79 HE21 GLN 79 15.622 15.820 -12.618 678 H VAL 80 H VAL 80 16.853 14.127 -5.780 679 HA VAL 80 HA VAL 80 17.383 11.337 -5.387 680 HB VAL 80 HB VAL 80 18.557 13.773 -4.029 681 HG11 VAL 80 HG11 VAL 80 20.322 12.268 -3.215 682 HG12 VAL 80 HG12 VAL 80 19.428 10.888 -3.849 683 HG13 VAL 80 HG13 VAL 80 18.745 11.856 -2.542 684 HG21 VAL 80 HG21 VAL 80 19.647 11.940 -6.165 685 HG22 VAL 80 HG22 VAL 80 20.506 13.296 -5.433 686 HG23 VAL 80 HG23 VAL 80 19.066 13.587 -6.410 687 H LEU 81 H LEU 81 16.034 13.917 -3.379 688 HA LEU 81 HA LEU 81 15.664 12.521 -1.000 689 HB2 LEU 81 HB3 LEU 81 15.327 14.984 -1.435 690 HB3 LEU 81 HB2 LEU 81 13.782 14.580 -2.156 691 HG LEU 81 HG LEU 81 13.078 13.607 0.034 692 HD11 LEU 81 HD11 LEU 81 15.637 14.874 1.007 693 HD12 LEU 81 HD12 LEU 81 15.295 13.145 0.943 694 HD13 LEU 81 HD13 LEU 81 14.370 14.187 2.025 695 HD21 LEU 81 HD21 LEU 81 12.439 15.866 -0.638 696 HD22 LEU 81 HD22 LEU 81 13.927 16.501 0.065 697 HD23 LEU 81 HD23 LEU 81 12.702 15.769 1.103 698 H LEU 82 H LEU 82 13.688 12.665 -3.903 699 HA LEU 82 HA LEU 82 11.448 11.224 -3.071 700 HB2 LEU 82 HB3 LEU 82 11.920 12.480 -5.267 701 HB3 LEU 82 HB2 LEU 82 12.715 11.017 -5.801 702 HG LEU 82 HG LEU 82 10.397 11.294 -6.654 703 HD11 LEU 82 HD11 LEU 82 11.399 9.078 -6.529 704 HD12 LEU 82 HD12 LEU 82 9.663 9.019 -6.229 705 HD13 LEU 82 HD13 LEU 82 10.795 8.893 -4.882 706 HD21 LEU 82 HD21 LEU 82 9.636 10.898 -3.768 707 HD22 LEU 82 HD22 LEU 82 8.522 10.895 -5.137 708 HD23 LEU 82 HD23 LEU 82 9.406 12.364 -4.721 709 H GLN 83 H GLN 83 14.436 10.075 -4.622 710 HA GLN 83 HA GLN 83 13.744 7.331 -4.487 711 HB2 GLN 83 HB3 GLN 83 15.357 8.226 -6.109 712 HB3 GLN 83 HB2 GLN 83 16.456 8.632 -4.800 713 HG2 GLN 83 HG3 GLN 83 17.113 6.593 -5.985 714 HG3 GLN 83 HG2 GLN 83 16.776 6.303 -4.282 715 HE21 GLN 83 HE22 GLN 83 15.045 5.037 -3.704 716 HE22 GLN 83 HE21 GLN 83 14.174 4.070 -4.842 717 H GLN 84 H GLN 84 15.382 9.511 -2.278 718 HA GLN 84 HA GLN 84 16.559 7.614 -0.586 719 HB2 GLN 84 HB3 GLN 84 15.511 10.379 -0.004 720 HB3 GLN 84 HB2 GLN 84 16.334 9.400 1.201 721 HG2 GLN 84 HG3 GLN 84 18.284 9.276 -0.351 722 HG3 GLN 84 HG2 GLN 84 17.458 10.439 -1.386 723 HE21 GLN 84 HE22 GLN 84 19.993 10.659 0.045 724 HE22 GLN 84 HE21 GLN 84 19.847 12.045 1.065 725 H ARG 85 H ARG 85 13.332 9.153 -0.322 726 HA ARG 85 HA ARG 85 12.646 7.557 1.941 727 HB2 ARG 85 HB3 ARG 85 10.401 8.417 1.736 728 HB3 ARG 85 HB2 ARG 85 11.549 9.727 1.511 729 HG2 ARG 85 HG3 ARG 85 11.070 9.933 -0.739 730 HG3 ARG 85 HG2 ARG 85 10.421 8.296 -0.855 731 HD2 ARG 85 HD3 ARG 85 8.497 8.968 0.500 732 HD3 ARG 85 HD2 ARG 85 9.147 10.603 0.612 733 HE ARG 85 HE ARG 85 8.453 11.008 -1.539 734 HH11 ARG 85 HH11 ARG 85 8.059 7.584 -0.817 735 HH12 ARG 85 HH12 ARG 85 7.222 7.262 -2.309 736 HH21 ARG 85 HH22 ARG 85 7.277 10.545 -3.459 737 HH22 ARG 85 HH21 ARG 85 6.786 8.910 -3.782 738 H ARG 86 H ARG 86 12.167 7.221 -1.538 739 HA ARG 86 HA ARG 86 10.432 5.017 -1.486 740 HB2 ARG 86 HB3 ARG 86 10.918 6.224 -3.559 741 HB3 ARG 86 HB2 ARG 86 12.592 5.682 -3.500 742 HG2 ARG 86 HG3 ARG 86 11.777 3.338 -3.678 743 HG3 ARG 86 HG2 ARG 86 10.146 3.972 -3.902 744 HD2 ARG 86 HD3 ARG 86 12.496 4.640 -5.667 745 HD3 ARG 86 HD2 ARG 86 11.313 3.381 -6.019 746 HE ARG 86 HE ARG 86 10.044 5.890 -5.553 747 HH11 ARG 86 HH11 ARG 86 11.863 4.094 -7.965 748 HH12 ARG 86 HH12 ARG 86 11.125 4.912 -9.310 749 HH21 ARG 86 HH22 ARG 86 9.105 6.975 -7.286 750 HH22 ARG 86 HH21 ARG 86 9.565 6.573 -8.917 751 H ASP 87 H ASP 87 13.960 5.217 -1.381 752 HA ASP 87 HA ASP 87 14.455 2.435 -1.343 753 HB2 ASP 87 HB3 ASP 87 16.238 3.980 -1.879 754 HB3 ASP 87 HB2 ASP 87 16.098 4.754 -0.306 755 H GLN 88 H GLN 88 13.863 4.801 1.195 756 HA GLN 88 HA GLN 88 14.318 3.118 3.407 757 HB2 GLN 88 HB3 GLN 88 14.169 5.499 3.719 758 HB3 GLN 88 HB2 GLN 88 12.537 5.532 3.067 759 HG2 GLN 88 HG3 GLN 88 11.754 4.223 4.986 760 HG3 GLN 88 HG2 GLN 88 13.390 4.234 5.644 761 HE21 GLN 88 HE22 GLN 88 12.666 5.276 7.509 762 HE22 GLN 88 HE21 GLN 88 12.285 6.967 7.510 763 H GLU 89 H GLU 89 11.329 3.917 1.652 764 HA GLU 89 HA GLU 89 9.629 2.272 3.167 765 HB2 GLU 89 HB3 GLU 89 9.385 3.256 0.321 766 HB3 GLU 89 HB2 GLU 89 8.091 2.452 1.201 767 HG2 GLU 89 HG3 GLU 89 8.074 4.232 2.852 768 HG3 GLU 89 HG2 GLU 89 9.414 5.027 2.029 769 H LEU 90 H LEU 90 11.533 1.624 0.252 770 HA LEU 90 HA LEU 90 10.616 -1.042 -0.083 771 HB2 LEU 90 HB3 LEU 90 13.160 0.303 -0.985 772 HB3 LEU 90 HB2 LEU 90 12.709 -1.330 -1.438 773 HG LEU 90 HG LEU 90 11.149 1.165 -2.115 774 HD11 LEU 90 HD11 LEU 90 12.840 -0.624 -3.854 775 HD12 LEU 90 HD12 LEU 90 13.257 1.010 -3.338 776 HD13 LEU 90 HD13 LEU 90 11.876 0.746 -4.402 777 HD21 LEU 90 HD21 LEU 90 10.724 -1.711 -2.916 778 HD22 LEU 90 HD22 LEU 90 9.826 -0.327 -3.539 779 HD23 LEU 90 HD23 LEU 90 9.699 -0.767 -1.837 780 H LYS 91 H LYS 91 13.263 0.390 1.761 781 HA LYS 91 HA LYS 91 14.499 -1.969 2.634 782 HB2 LYS 91 HB3 LYS 91 15.683 -0.026 3.133 783 HB3 LYS 91 HB2 LYS 91 14.260 0.810 3.731 784 HG2 LYS 91 HG3 LYS 91 15.801 0.334 5.535 785 HG3 LYS 91 HG2 LYS 91 14.298 -0.561 5.753 786 HD2 LYS 91 HD3 LYS 91 15.381 -2.576 4.866 787 HD3 LYS 91 HD2 LYS 91 16.884 -1.673 4.661 788 HE2 LYS 91 HE3 LYS 91 17.003 -1.275 7.053 789 HE3 LYS 91 HE2 LYS 91 15.459 -2.091 7.288 790 HZ1 LYS 91 HZ1 LYS 91 16.403 -4.153 6.712 791 HZ2 LYS 91 HZ2 LYS 91 17.500 -3.435 7.781 792 HZ3 LYS 91 HZ3 LYS 91 17.821 -3.445 6.112 793 H GLU 92 H GLU 92 11.872 -0.080 4.107 794 HA GLU 92 HA GLU 92 11.386 -1.836 6.249 795 HB2 GLU 92 HB3 GLU 92 9.590 0.147 4.849 796 HB3 GLU 92 HB2 GLU 92 9.129 -0.714 6.313 797 HG2 GLU 92 HG3 GLU 92 10.953 0.293 7.527 798 HG3 GLU 92 HG2 GLU 92 11.528 1.086 6.061 799 H PHE 93 H PHE 93 10.123 -1.713 2.963 800 HA PHE 93 HA PHE 93 8.214 -3.749 3.157 801 HB2 PHE 93 HB3 PHE 93 8.287 -2.334 1.212 802 HB3 PHE 93 HB2 PHE 93 9.926 -2.847 0.834 803 HD1 PHE 93 HD2 PHE 93 6.477 -4.207 1.211 804 HD2 PHE 93 HD1 PHE 93 10.263 -4.519 -0.708 805 HE1 PHE 93 HE2 PHE 93 5.586 -5.974 -0.252 806 HE2 PHE 93 HE1 PHE 93 9.381 -6.287 -2.171 807 HZ PHE 93 HZ PHE 93 7.040 -7.017 -1.944 808 H LYS 94 H LYS 94 11.659 -3.923 2.305 809 HA LYS 94 HA LYS 94 11.697 -6.746 1.968 810 HB2 LYS 94 HB3 LYS 94 13.932 -4.787 2.507 811 HB3 LYS 94 HB2 LYS 94 14.177 -6.481 2.108 812 HG2 LYS 94 HG3 LYS 94 13.104 -6.134 -0.053 813 HG3 LYS 94 HG2 LYS 94 12.842 -4.435 0.348 814 HD2 LYS 94 HD3 LYS 94 15.255 -4.102 0.525 815 HD3 LYS 94 HD2 LYS 94 15.522 -5.804 0.141 816 HE2 LYS 94 HE3 LYS 94 14.462 -5.468 -2.043 817 HE3 LYS 94 HE2 LYS 94 14.218 -3.764 -1.658 818 HZ1 LYS 94 HZ1 LYS 94 16.604 -3.477 -1.519 819 HZ2 LYS 94 HZ2 LYS 94 16.180 -4.111 -3.035 820 HZ3 LYS 94 HZ3 LYS 94 16.852 -5.119 -1.849 821 H ALA 95 H ALA 95 11.800 -4.697 4.719 822 HA ALA 95 HA ALA 95 12.795 -6.849 6.438 823 HB1 ALA 95 HB1 ALA 95 12.884 -5.159 8.192 824 HB2 ALA 95 HB2 ALA 95 12.134 -3.983 7.113 825 HB3 ALA 95 HB3 ALA 95 13.743 -4.610 6.752 826 H GLY 96 H GLY 96 10.025 -6.379 5.061 827 HA2 GLY 96 HA3 GLY 96 7.962 -7.327 5.658 828 HA3 GLY 96 HA2 GLY 96 8.462 -7.295 7.345 829 H PHE 97 H PHE 97 7.100 -5.455 4.718 830 HA PHE 97 HA PHE 97 6.981 -2.974 6.151 831 HB2 PHE 97 HB3 PHE 97 7.024 -3.317 3.599 832 HB3 PHE 97 HB2 PHE 97 5.314 -3.701 3.742 833 HD1 PHE 97 HD2 PHE 97 7.835 -1.057 4.229 834 HD2 PHE 97 HD1 PHE 97 3.691 -1.991 3.993 835 HE1 PHE 97 HE2 PHE 97 7.304 1.342 4.118 836 HE2 PHE 97 HE1 PHE 97 3.152 0.406 3.877 837 HZ PHE 97 HZ PHE 97 4.961 2.077 3.941 838 H LEU 98 H LEU 98 5.073 -1.943 6.924 839 HA LEU 98 HA LEU 98 3.265 -3.735 8.240 840 HB2 LEU 98 HB3 LEU 98 4.151 -1.570 9.191 841 HB3 LEU 98 HB2 LEU 98 3.098 -0.727 8.071 842 HG LEU 98 HG LEU 98 1.149 -1.880 9.145 843 HD11 LEU 98 HD11 LEU 98 1.488 -2.881 11.352 844 HD12 LEU 98 HD12 LEU 98 3.233 -2.696 11.166 845 HD13 LEU 98 HD13 LEU 98 2.341 -3.779 10.095 846 HD21 LEU 98 HD21 LEU 98 1.141 -0.448 11.127 847 HD22 LEU 98 HD22 LEU 98 1.745 0.414 9.711 848 HD23 LEU 98 HD23 LEU 98 2.872 -0.171 10.936 849 H CYS 99 H CYS 99 2.005 -4.773 6.743 850 HA CYS 99 HA CYS 99 0.155 -3.068 5.216 851 HB2 CYS 99 HB3 CYS 99 1.420 -5.652 4.275 852 HB3 CYS 99 HB2 CYS 99 0.205 -4.733 3.394 853 HG CYS 99 HG CYS 99 2.790 -2.828 4.176 854 HA PRO 100 HA PRO 100 -3.058 -5.567 6.977 855 HB2 PRO 100 HB2 PRO 100 -4.595 -5.499 4.505 856 HB3 PRO 100 HB3 PRO 100 -4.927 -4.695 6.039 857 HG2 PRO 100 HG3 PRO 100 -4.196 -3.374 3.773 858 HG3 PRO 100 HG2 PRO 100 -3.864 -2.777 5.409 859 HD2 PRO 100 HD3 PRO 100 -2.032 -4.120 3.472 860 HD3 PRO 100 HD2 PRO 100 -1.694 -2.815 4.627 861 H ASP 101 H ASP 101 -3.671 -7.690 7.063 862 HA ASP 101 HA ASP 101 -2.310 -9.652 5.645 863 HB2 ASP 101 HB3 ASP 101 -3.324 -10.234 7.719 864 HB3 ASP 101 HB2 ASP 101 -4.921 -9.761 7.148 865 H LEU 102 H LEU 102 -5.450 -8.209 5.010 866 HA LEU 102 HA LEU 102 -6.522 -7.809 3.058 867 HB2 LEU 102 HB3 LEU 102 -4.168 -7.729 2.129 868 HB3 LEU 102 HB2 LEU 102 -4.396 -9.393 1.634 869 HG LEU 102 HG LEU 102 -6.305 -8.678 0.219 870 HD11 LEU 102 HD11 LEU 102 -5.419 -5.903 1.000 871 HD12 LEU 102 HD12 LEU 102 -6.941 -6.672 1.448 872 HD13 LEU 102 HD13 LEU 102 -6.607 -6.296 -0.242 873 HD21 LEU 102 HD21 LEU 102 -4.073 -8.931 -0.728 874 HD22 LEU 102 HD22 LEU 102 -3.701 -7.257 -0.316 875 HD23 LEU 102 HD23 LEU 102 -4.951 -7.614 -1.509 876 H SER 103 H SER 103 -5.783 -10.985 4.114 877 HA SER 103 HA SER 103 -7.936 -12.055 2.423 878 HB2 SER 103 HB3 SER 103 -6.996 -14.311 3.169 879 HB3 SER 103 HB2 SER 103 -5.997 -13.355 2.075 880 HG SER 103 HG SER 103 -5.532 -12.856 4.753 881 H ASP 104 H ASP 104 -7.524 -10.807 5.405 882 HA ASP 104 HA ASP 104 -9.497 -12.543 6.692 883 HB2 ASP 104 HB3 ASP 104 -7.573 -11.799 8.051 884 HB3 ASP 104 HB2 ASP 104 -8.027 -10.121 7.770 885 H ALA 105 H ALA 105 -11.610 -12.031 6.704 886 HA ALA 105 HA ALA 105 -12.493 -9.926 5.024 887 HB1 ALA 105 HB1 ALA 105 -14.115 -11.654 6.888 888 HB2 ALA 105 HB2 ALA 105 -13.685 -12.054 5.226 889 HB3 ALA 105 HB3 ALA 105 -14.739 -10.679 5.557 890 H LYS 106 H LYS 106 -12.223 -10.201 8.535 891 HA LYS 106 HA LYS 106 -13.886 -7.906 9.014 892 HB2 LYS 106 HB3 LYS 106 -13.601 -9.699 10.707 893 HB3 LYS 106 HB2 LYS 106 -11.916 -9.221 10.892 894 HG2 LYS 106 HG3 LYS 106 -12.489 -7.147 11.819 895 HG3 LYS 106 HG2 LYS 106 -14.169 -7.290 11.300 896 HD2 LYS 106 HD3 LYS 106 -14.329 -9.292 12.846 897 HD3 LYS 106 HD2 LYS 106 -12.766 -8.784 13.498 898 HE2 LYS 106 HE3 LYS 106 -14.600 -7.896 14.838 899 HE3 LYS 106 HE2 LYS 106 -13.700 -6.598 14.052 900 HZ1 LYS 106 HZ1 LYS 106 -15.492 -6.790 12.244 901 HZ2 LYS 106 HZ2 LYS 106 -15.909 -6.035 13.705 902 HZ3 LYS 106 HZ3 LYS 106 -16.390 -7.629 13.405 903 H ASN 107 H ASN 107 -10.448 -8.574 8.813 904 HA ASN 107 HA ASN 107 -9.448 -6.010 9.295 905 HB2 ASN 107 HB3 ASN 107 -8.034 -8.014 8.973 906 HB3 ASN 107 HB2 ASN 107 -8.482 -8.050 7.271 907 HD21 ASN 107 HD22 ASN 107 -6.453 -7.789 6.498 908 HD22 ASN 107 HD21 ASN 107 -5.550 -6.327 6.663 909 H MET 108 H MET 108 -10.880 -7.455 6.417 910 HA MET 108 HA MET 108 -10.454 -5.174 4.753 911 HB2 MET 108 HB3 MET 108 -12.396 -7.461 4.393 912 HB3 MET 108 HB2 MET 108 -11.929 -6.299 3.158 913 HG2 MET 108 HG3 MET 108 -10.159 -8.341 4.477 914 HG3 MET 108 HG2 MET 108 -10.749 -8.362 2.818 915 HE1 MET 108 HE1 MET 108 -8.840 -5.383 1.200 916 HE2 MET 108 HE2 MET 108 -10.448 -5.354 1.926 917 HE3 MET 108 HE3 MET 108 -9.952 -6.730 0.941 918 H GLU 109 H GLU 109 -12.876 -6.049 7.089 919 HA GLU 109 HA GLU 109 -14.954 -4.341 6.266 920 HB2 GLU 109 HB3 GLU 109 -14.093 -5.151 9.046 921 HB3 GLU 109 HB2 GLU 109 -15.526 -4.191 8.722 922 HG2 GLU 109 HG3 GLU 109 -16.345 -6.087 7.296 923 HG3 GLU 109 HG2 GLU 109 -14.995 -7.036 7.926 924 H PHE 110 H PHE 110 -12.302 -3.776 8.563 925 HA PHE 110 HA PHE 110 -12.850 -1.026 8.934 926 HB2 PHE 110 HB3 PHE 110 -10.164 -2.387 9.209 927 HB3 PHE 110 HB2 PHE 110 -10.658 -0.874 9.957 928 HD1 PHE 110 HD1 PHE 110 -12.951 -1.172 11.378 929 HD2 PHE 110 HD2 PHE 110 -10.071 -4.197 10.570 930 HE1 PHE 110 HE1 PHE 110 -13.697 -2.407 13.373 931 HE2 PHE 110 HE2 PHE 110 -10.815 -5.443 12.560 932 HZ PHE 110 HZ PHE 110 -12.628 -4.547 13.965 933 H LEU 111 H LEU 111 -10.903 -2.788 6.626 934 HA LEU 111 HA LEU 111 -9.533 -0.595 5.497 935 HB2 LEU 111 HB3 LEU 111 -8.892 -2.985 5.282 936 HB3 LEU 111 HB2 LEU 111 -10.272 -3.242 4.238 937 HG LEU 111 HG LEU 111 -8.257 -1.191 3.433 938 HD11 LEU 111 HD11 LEU 111 -6.913 -2.917 2.345 939 HD12 LEU 111 HD12 LEU 111 -7.897 -4.165 3.110 940 HD13 LEU 111 HD13 LEU 111 -6.897 -3.100 4.099 941 HD21 LEU 111 HD21 LEU 111 -10.300 -1.503 2.127 942 HD22 LEU 111 HD22 LEU 111 -9.893 -3.204 1.905 943 HD23 LEU 111 HD23 LEU 111 -8.862 -1.952 1.210 944 H ARG 112 H ARG 112 -12.535 -2.247 4.581 945 HA ARG 112 HA ARG 112 -13.047 -0.598 2.313 946 HB2 ARG 112 HB3 ARG 112 -14.079 -2.683 2.207 947 HB3 ARG 112 HB2 ARG 112 -14.611 -2.619 3.880 948 HG2 ARG 112 HG3 ARG 112 -16.336 -1.034 3.316 949 HG3 ARG 112 HG2 ARG 112 -15.753 -0.942 1.653 950 HD2 ARG 112 HD3 ARG 112 -16.493 -3.090 1.147 951 HD3 ARG 112 HD2 ARG 112 -16.573 -3.565 2.842 952 HE ARG 112 HE ARG 112 -18.630 -2.472 3.043 953 HH11 ARG 112 HH11 ARG 112 -17.340 -2.128 -0.200 954 HH12 ARG 112 HH12 ARG 112 -18.866 -1.666 -0.890 955 HH21 ARG 112 HH22 ARG 112 -20.631 -1.861 2.128 956 HH22 ARG 112 HH21 ARG 112 -20.720 -1.506 0.428 957 H ASN 113 H ASN 113 -13.815 -0.367 5.705 958 HA ASN 113 HA ASN 113 -15.658 1.861 5.188 959 HB2 ASN 113 HB3 ASN 113 -15.184 0.231 7.691 960 HB3 ASN 113 HB2 ASN 113 -16.310 1.579 7.574 961 HD21 ASN 113 HD22 ASN 113 -16.718 -1.281 8.149 962 HD22 ASN 113 HD21 ASN 113 -17.892 -1.821 7.003 963 H TRP 114 H TRP 114 -12.623 1.897 5.164 964 HA TRP 114 HA TRP 114 -11.820 3.401 7.446 965 HB2 TRP 114 HB3 TRP 114 -10.294 2.032 5.967 966 HB3 TRP 114 HB2 TRP 114 -10.443 3.302 4.759 967 HD1 TRP 114 HD1 TRP 114 -9.495 3.194 8.530 968 HE1 TRP 114 HE1 TRP 114 -7.470 4.743 8.881 969 HE3 TRP 114 HE3 TRP 114 -8.918 4.852 3.732 970 HZ2 TRP 114 HZ2 TRP 114 -5.834 6.434 7.313 971 HZ3 TRP 114 HZ3 TRP 114 -7.096 6.429 3.240 972 HH2 TRP 114 HH2 TRP 114 -5.588 7.206 4.995 973 H ASN 115 H ASN 115 -12.551 5.369 7.855 974 HA ASN 115 HA ASN 115 -13.434 7.078 5.651 975 HB2 ASN 115 HB3 ASN 115 -13.830 7.348 8.641 976 HB3 ASN 115 HB2 ASN 115 -14.502 8.435 7.430 977 HD21 ASN 115 HD22 ASN 115 -15.814 6.747 9.425 978 HD22 ASN 115 HD21 ASN 115 -16.896 5.719 8.547 979 H GLY 116 H GLY 116 -10.562 6.656 6.387 980 HA2 GLY 116 HA3 GLY 116 -8.681 8.013 6.402 981 HA3 GLY 116 HA2 GLY 116 -9.745 9.417 6.412 982 H THR 117 H THR 117 -9.773 6.755 8.679 983 HA THR 117 HA THR 117 -9.456 8.664 10.861 984 HB THR 117 HB THR 117 -10.187 5.746 11.103 985 HG1 THR 117 HG1 THR 117 -11.807 7.986 10.431 986 HG21 THR 117 HG21 THR 117 -9.613 6.896 13.182 987 HG22 THR 117 HG22 THR 117 -11.335 6.515 13.137 988 HG23 THR 117 HG23 THR 117 -10.786 8.161 12.818 989 H PHE 118 H PHE 118 -7.466 8.929 11.640 990 HA PHE 118 HA PHE 118 -5.284 7.256 11.015 991 HB2 PHE 118 HB3 PHE 118 -5.540 9.329 13.205 992 HB3 PHE 118 HB2 PHE 118 -4.028 8.613 12.659 993 HD1 PHE 118 HD2 PHE 118 -3.395 8.946 10.198 994 HD2 PHE 118 HD1 PHE 118 -6.372 11.242 12.192 995 HE1 PHE 118 HE2 PHE 118 -3.192 10.696 8.481 996 HE2 PHE 118 HE1 PHE 118 -6.172 12.996 10.479 997 HZ PHE 118 HZ PHE 118 -4.582 12.724 8.620 998 H GLY 119 H GLY 119 -7.497 7.340 13.719 999 HA2 GLY 119 HA3 GLY 119 -6.034 5.658 15.468 1000 HA3 GLY 119 HA2 GLY 119 -7.766 5.945 15.525 1001 H LEU 120 H LEU 120 -7.755 4.954 12.584 1002 HA LEU 120 HA LEU 120 -8.405 2.241 13.286 1003 HB2 LEU 120 HB3 LEU 120 -8.501 3.750 10.683 1004 HB3 LEU 120 HB2 LEU 120 -8.901 2.046 10.806 1005 HG LEU 120 HG LEU 120 -10.337 4.318 12.181 1006 HD11 LEU 120 HD11 LEU 120 -10.809 4.178 9.799 1007 HD12 LEU 120 HD12 LEU 120 -12.207 3.662 10.743 1008 HD13 LEU 120 HD13 LEU 120 -11.181 2.461 9.959 1009 HD21 LEU 120 HD21 LEU 120 -10.263 2.305 13.575 1010 HD22 LEU 120 HD22 LEU 120 -10.903 1.356 12.232 1011 HD23 LEU 120 HD23 LEU 120 -11.891 2.618 12.970 1012 H LEU 121 H LEU 121 -5.577 3.792 12.413 1013 HA LEU 121 HA LEU 121 -4.448 1.660 10.844 1014 HB2 LEU 121 HB3 LEU 121 -3.353 4.194 12.011 1015 HB3 LEU 121 HB2 LEU 121 -2.273 2.978 11.363 1016 HG LEU 121 HG LEU 121 -2.628 4.621 9.670 1017 HD11 LEU 121 HD11 LEU 121 -2.529 2.310 8.904 1018 HD12 LEU 121 HD12 LEU 121 -3.569 3.286 7.865 1019 HD13 LEU 121 HD13 LEU 121 -4.282 2.184 9.043 1020 HD21 LEU 121 HD21 LEU 121 -4.839 5.183 8.799 1021 HD22 LEU 121 HD22 LEU 121 -4.694 5.600 10.506 1022 HD23 LEU 121 HD23 LEU 121 -5.584 4.156 10.024 1023 H ASN 122 H ASN 122 -5.253 1.795 13.974 1024 HA ASN 122 HA ASN 122 -3.113 -0.095 14.685 1025 HB2 ASN 122 HB3 ASN 122 -4.680 1.759 16.486 1026 HB3 ASN 122 HB2 ASN 122 -3.655 0.456 17.081 1027 HD21 ASN 122 HD22 ASN 122 -1.424 0.631 16.889 1028 HD22 ASN 122 HD21 ASN 122 -0.644 2.134 16.538 1029 H THR 123 H THR 123 -6.415 0.348 14.088 1030 HA THR 123 HA THR 123 -7.237 -2.024 15.556 1031 HB THR 123 HB THR 123 -9.489 -1.540 14.587 1032 HG1 THR 123 HG1 THR 123 -9.192 -0.386 12.780 1033 HG21 THR 123 HG21 THR 123 -8.852 -0.656 16.785 1034 HG22 THR 123 HG22 THR 123 -9.914 0.462 15.927 1035 HG23 THR 123 HG23 THR 123 -8.181 0.781 16.012 1036 H LEU 124 H LEU 124 -6.603 -0.921 12.296 1037 HA LEU 124 HA LEU 124 -7.475 -3.139 10.837 1038 HB2 LEU 124 HB3 LEU 124 -5.353 -1.071 10.418 1039 HB3 LEU 124 HB2 LEU 124 -5.475 -2.424 9.310 1040 HG LEU 124 HG LEU 124 -7.810 -0.612 9.892 1041 HD11 LEU 124 HD11 LEU 124 -5.981 0.748 9.017 1042 HD12 LEU 124 HD12 LEU 124 -7.259 0.555 7.817 1043 HD13 LEU 124 HD13 LEU 124 -5.772 -0.382 7.679 1044 HD21 LEU 124 HD21 LEU 124 -7.173 -2.474 7.606 1045 HD22 LEU 124 HD22 LEU 124 -8.633 -1.500 7.780 1046 HD23 LEU 124 HD23 LEU 124 -8.302 -2.806 8.919 1047 H ARG 125 H ARG 125 -6.545 -5.077 10.302 1048 HA ARG 125 HA ARG 125 -4.476 -6.007 12.074 1049 HB2 ARG 125 HB3 ARG 125 -6.381 -7.459 11.451 1050 HB3 ARG 125 HB2 ARG 125 -5.818 -7.455 9.785 1051 HG2 ARG 125 HG3 ARG 125 -4.139 -8.907 10.203 1052 HG3 ARG 125 HG2 ARG 125 -3.866 -8.294 11.835 1053 HD2 ARG 125 HD3 ARG 125 -6.221 -9.981 11.001 1054 HD3 ARG 125 HD2 ARG 125 -4.769 -10.600 11.787 1055 HE ARG 125 HE ARG 125 -6.075 -8.458 13.223 1056 HH11 ARG 125 HH11 ARG 125 -5.999 -11.914 12.678 1057 HH12 ARG 125 HH12 ARG 125 -6.569 -12.312 14.273 1058 HH21 ARG 125 HH22 ARG 125 -6.850 -8.967 15.315 1059 HH22 ARG 125 HH21 ARG 125 -7.082 -10.632 15.767 1060 H LEU 126 H LEU 126 -2.948 -4.479 11.386 1061 HA LEU 126 HA LEU 126 -1.710 -4.897 8.780 1062 HB2 LEU 126 HB3 LEU 126 -1.029 -2.921 10.962 1063 HB3 LEU 126 HB2 LEU 126 -0.398 -2.919 9.326 1064 HG LEU 126 HG LEU 126 -3.308 -2.506 10.016 1065 HD11 LEU 126 HD11 LEU 126 -1.204 -0.469 9.305 1066 HD12 LEU 126 HD12 LEU 126 -1.949 -0.680 10.891 1067 HD13 LEU 126 HD13 LEU 126 -2.927 -0.154 9.520 1068 HD21 LEU 126 HD21 LEU 126 -3.472 -1.716 7.707 1069 HD22 LEU 126 HD22 LEU 126 -2.947 -3.399 7.784 1070 HD23 LEU 126 HD23 LEU 126 -1.775 -2.124 7.450 1071 H ILE 127 H ILE 127 -0.276 -6.468 8.666 1072 HA ILE 127 HA ILE 127 1.257 -7.159 11.079 1073 HB ILE 127 HB ILE 127 1.685 -9.341 9.930 1074 HG12 ILE 127 HG13 ILE 127 -0.420 -8.339 7.993 1075 HG13 ILE 127 HG12 ILE 127 1.284 -8.574 7.617 1076 HG21 ILE 127 HG21 ILE 127 -0.554 -10.262 10.357 1077 HG22 ILE 127 HG22 ILE 127 -1.204 -8.623 10.419 1078 HG23 ILE 127 HG23 ILE 127 -0.034 -9.154 11.628 1079 HD11 ILE 127 HD11 ILE 127 1.045 -10.964 8.006 1080 HD12 ILE 127 HD12 ILE 127 -0.088 -10.400 6.778 1081 HD13 ILE 127 HD13 ILE 127 -0.654 -10.733 8.414 1082 H ARG 128 H ARG 128 3.361 -8.466 10.128 1083 HA ARG 128 HA ARG 128 4.806 -6.440 8.588 1084 HB2 ARG 128 HB3 ARG 128 5.890 -8.895 9.993 1085 HB3 ARG 128 HB2 ARG 128 6.831 -7.570 9.327 1086 HG2 ARG 128 HG3 ARG 128 4.913 -7.336 11.636 1087 HG3 ARG 128 HG2 ARG 128 6.663 -7.498 11.778 1088 HD2 ARG 128 HD3 ARG 128 5.179 -5.243 10.434 1089 HD3 ARG 128 HD2 ARG 128 5.988 -5.171 11.999 1090 HE ARG 128 HE ARG 128 7.325 -5.447 9.388 1091 HH11 ARG 128 HH11 ARG 128 7.404 -4.562 12.788 1092 HH12 ARG 128 HH12 ARG 128 9.017 -3.909 12.696 1093 HH21 ARG 128 HH22 ARG 128 9.420 -4.608 9.279 1094 HH22 ARG 128 HH21 ARG 128 10.178 -3.960 10.705 1095 H ILE 129 H ILE 129 4.785 -6.753 6.445 1096 HA ILE 129 HA ILE 129 4.553 -9.526 5.489 1097 HB ILE 129 HB ILE 129 3.562 -6.953 4.299 1098 HG12 ILE 129 HG13 ILE 129 2.240 -9.509 5.223 1099 HG13 ILE 129 HG12 ILE 129 2.129 -7.929 5.985 1100 HG21 ILE 129 HG21 ILE 129 3.651 -9.671 3.002 1101 HG22 ILE 129 HG22 ILE 129 4.527 -8.231 2.483 1102 HG23 ILE 129 HG23 ILE 129 2.766 -8.279 2.380 1103 HD11 ILE 129 HD11 ILE 129 0.942 -7.092 3.999 1104 HD12 ILE 129 HD12 ILE 129 0.101 -8.420 4.800 1105 HD13 ILE 129 HD13 ILE 129 1.003 -8.716 3.315 1106 H ASN 130 H ASN 130 6.213 -10.367 4.561 1107 HA ASN 130 HA ASN 130 8.343 -8.652 3.505 1108 HB2 ASN 130 HB3 ASN 130 9.042 -10.273 5.186 1109 HB3 ASN 130 HB2 ASN 130 8.326 -11.585 4.258 1110 HD21 ASN 130 HD22 ASN 130 9.396 -12.390 2.482 1111 HD22 ASN 130 HD21 ASN 130 11.031 -11.968 2.100 1112 H ASP 131 H ASP 131 8.298 -8.286 1.423 1113 HA ASP 131 HA ASP 131 8.237 -8.544 -0.816 1114 HB2 ASP 131 HB3 ASP 131 9.051 -11.283 0.078 1115 HB3 ASP 131 HB2 ASP 131 8.802 -10.945 -1.630 1116 H LYS 132 H LYS 132 7.004 -11.804 -0.271 1117 HA LYS 132 HA LYS 132 4.945 -11.157 -2.248 1118 HB2 LYS 132 HB3 LYS 132 4.872 -13.659 -2.549 1119 HB3 LYS 132 HB2 LYS 132 6.395 -12.890 -2.976 1120 HG2 LYS 132 HG3 LYS 132 7.273 -13.540 -0.736 1121 HG3 LYS 132 HG2 LYS 132 5.783 -14.450 -0.477 1122 HD2 LYS 132 HD3 LYS 132 6.265 -15.858 -2.379 1123 HD3 LYS 132 HD2 LYS 132 7.691 -14.894 -2.769 1124 HE2 LYS 132 HE3 LYS 132 8.667 -15.529 -0.586 1125 HE3 LYS 132 HE2 LYS 132 7.268 -16.562 -0.292 1126 HZ1 LYS 132 HZ1 LYS 132 9.207 -17.776 -1.157 1127 HZ2 LYS 132 HZ2 LYS 132 9.136 -16.862 -2.584 1128 HZ3 LYS 132 HZ3 LYS 132 7.859 -17.900 -2.178 1129 H GLY 133 H GLY 133 4.539 -10.523 0.558 1130 HA2 GLY 133 HA3 GLY 133 2.505 -10.443 1.723 1131 HA3 GLY 133 HA2 GLY 133 1.940 -11.813 0.779 1132 H GLU 134 H GLU 134 5.039 -12.077 2.185 1133 HA GLU 134 HA GLU 134 4.144 -14.298 3.789 1134 HB2 GLU 134 HB3 GLU 134 6.209 -14.480 2.519 1135 HB3 GLU 134 HB2 GLU 134 6.882 -13.093 3.362 1136 HG2 GLU 134 HG3 GLU 134 7.012 -14.302 5.404 1137 HG3 GLU 134 HG2 GLU 134 6.093 -15.648 4.730 1138 H GLN 135 H GLN 135 3.924 -14.366 5.957 1139 HA GLN 135 HA GLN 135 3.800 -11.838 7.334 1140 HB2 GLN 135 HB3 GLN 135 2.037 -13.565 7.587 1141 HB3 GLN 135 HB2 GLN 135 3.211 -14.619 8.363 1142 HG2 GLN 135 HG3 GLN 135 3.480 -12.994 10.170 1143 HG3 GLN 135 HG2 GLN 135 2.307 -11.936 9.389 1144 HE21 GLN 135 HE22 GLN 135 2.238 -13.167 12.023 1145 HE22 GLN 135 HE21 GLN 135 0.788 -14.108 12.087 1146 H VAL 136 H VAL 136 5.518 -10.991 8.226 1147 HA VAL 136 HA VAL 136 7.791 -12.594 9.021 1148 HB VAL 136 HB VAL 136 7.402 -9.625 9.418 1149 HG11 VAL 136 HG11 VAL 136 9.845 -9.548 9.413 1150 HG12 VAL 136 HG12 VAL 136 9.901 -11.301 9.231 1151 HG13 VAL 136 HG13 VAL 136 9.232 -10.588 10.698 1152 HG21 VAL 136 HG21 VAL 136 8.625 -9.322 7.304 1153 HG22 VAL 136 HG22 VAL 136 7.059 -10.102 7.077 1154 HG23 VAL 136 HG23 VAL 136 8.539 -11.062 7.027 1155 H VAL 137 H VAL 137 7.273 -13.757 10.823 1156 HA VAL 137 HA VAL 137 6.109 -12.491 13.140 1157 HB VAL 137 HB VAL 137 6.503 -14.651 14.273 1158 HG11 VAL 137 HG11 VAL 137 4.980 -16.002 12.896 1159 HG12 VAL 137 HG12 VAL 137 5.225 -14.887 11.551 1160 HG13 VAL 137 HG13 VAL 137 4.443 -14.327 13.029 1161 HG21 VAL 137 HG21 VAL 137 7.369 -16.562 13.001 1162 HG22 VAL 137 HG22 VAL 137 8.582 -15.293 13.173 1163 HG23 VAL 137 HG23 VAL 137 7.725 -15.493 11.644 1164 H GLY 138 H GLY 138 7.237 -12.553 15.260 1165 HA2 GLY 138 HA3 GLY 138 9.635 -11.080 15.116 1166 HA3 GLY 138 HA2 GLY 138 8.949 -11.776 16.575 1167 H GLY 139 H GLY 139 9.067 -14.506 15.416 1168 HA2 GLY 139 HA3 GLY 139 11.730 -15.153 16.257 1169 HA3 GLY 139 HA2 GLY 139 10.515 -16.282 15.675 1170 H ASN 140 H ASN 140 10.445 -14.145 13.334 1171 HA ASN 140 HA ASN 140 11.137 -14.112 11.183 1172 HB2 ASN 140 HB3 ASN 140 13.089 -13.035 12.345 1173 HB3 ASN 140 HB2 ASN 140 13.897 -14.600 12.319 1174 HD21 ASN 140 HD22 ASN 140 12.714 -11.954 10.385 1175 HD22 ASN 140 HD21 ASN 140 13.598 -12.342 8.950 1176 H GLU 141 H GLU 141 10.001 -16.057 10.742 1177 HA GLU 141 HA GLU 141 11.606 -18.497 10.618 1178 HB2 GLU 141 HB3 GLU 141 8.625 -18.037 10.435 1179 HB3 GLU 141 HB2 GLU 141 9.389 -19.604 10.202 1180 HG2 GLU 141 HG3 GLU 141 10.213 -19.594 12.460 1181 HG3 GLU 141 HG2 GLU 141 9.619 -17.954 12.708 Start of MODEL 16 1 H MET 1 H MET 1 -11.845 37.088 0.339 2 HA MET 1 HA MET 1 -10.541 39.476 1.502 3 HB2 MET 1 HB3 MET 1 -12.777 37.682 2.471 4 HB3 MET 1 HB2 MET 1 -11.997 38.911 3.457 5 HG2 MET 1 HG3 MET 1 -12.776 40.644 1.952 6 HG3 MET 1 HG2 MET 1 -13.510 39.427 0.908 7 HE1 MET 1 HE1 MET 1 -16.380 38.016 3.156 8 HE2 MET 1 HE2 MET 1 -14.747 37.372 2.986 9 HE3 MET 1 HE3 MET 1 -15.611 37.969 1.569 10 H ARG 2 H ARG 2 -8.959 39.142 2.974 11 HA ARG 2 HA ARG 2 -8.258 36.342 3.569 12 HB2 ARG 2 HB3 ARG 2 -6.524 38.794 3.897 13 HB3 ARG 2 HB2 ARG 2 -6.020 37.121 4.067 14 HG2 ARG 2 HG3 ARG 2 -6.615 36.809 1.642 15 HG3 ARG 2 HG2 ARG 2 -6.807 38.563 1.551 16 HD2 ARG 2 HD3 ARG 2 -4.319 37.010 2.227 17 HD3 ARG 2 HD2 ARG 2 -4.597 38.036 0.822 18 HE ARG 2 HE ARG 2 -4.910 39.742 2.911 19 HH11 ARG 2 HH11 ARG 2 -2.384 37.501 1.964 20 HH12 ARG 2 HH12 ARG 2 -1.112 38.425 2.705 21 HH21 ARG 2 HH22 ARG 2 -3.230 40.956 3.897 22 HH22 ARG 2 HH21 ARG 2 -1.591 40.378 3.809 23 H GLU 3 H GLU 3 -9.243 39.358 4.935 24 HA GLU 3 HA GLU 3 -8.534 39.049 7.597 25 HB2 GLU 3 HB3 GLU 3 -10.969 40.358 6.381 26 HB3 GLU 3 HB2 GLU 3 -10.564 40.470 8.087 27 HG2 GLU 3 HG3 GLU 3 -9.729 42.437 7.211 28 HG3 GLU 3 HG2 GLU 3 -8.309 41.399 7.281 29 H ASP 4 H ASP 4 -11.400 37.836 5.895 30 HA ASP 4 HA ASP 4 -12.189 36.235 8.169 31 HB2 ASP 4 HB3 ASP 4 -13.892 37.084 6.569 32 HB3 ASP 4 HB2 ASP 4 -13.159 36.110 5.298 33 H LYS 5 H LYS 5 -10.691 34.775 8.699 34 HA LYS 5 HA LYS 5 -8.921 33.638 6.775 35 HB2 LYS 5 HB3 LYS 5 -9.328 32.979 9.695 36 HB3 LYS 5 HB2 LYS 5 -8.005 32.386 8.700 37 HG2 LYS 5 HG3 LYS 5 -7.221 34.677 8.374 38 HG3 LYS 5 HG2 LYS 5 -8.548 35.271 9.375 39 HD2 LYS 5 HD3 LYS 5 -7.685 33.974 11.270 40 HD3 LYS 5 HD2 LYS 5 -6.352 33.403 10.266 41 HE2 LYS 5 HE3 LYS 5 -5.624 35.240 11.679 42 HE3 LYS 5 HE2 LYS 5 -5.581 35.710 9.980 43 HZ1 LYS 5 HZ1 LYS 5 -7.804 36.367 11.835 44 HZ2 LYS 5 HZ2 LYS 5 -7.597 36.934 10.251 45 HZ3 LYS 5 HZ3 LYS 5 -6.529 37.419 11.473 46 H ILE 6 H ILE 6 -8.917 31.704 5.838 47 HA ILE 6 HA ILE 6 -11.225 29.967 6.217 48 HB ILE 6 HB ILE 6 -8.981 29.765 4.194 49 HG12 ILE 6 HG13 ILE 6 -11.782 30.871 3.882 50 HG13 ILE 6 HG12 ILE 6 -10.310 31.834 3.941 51 HG21 ILE 6 HG21 ILE 6 -10.513 28.259 2.996 52 HG22 ILE 6 HG22 ILE 6 -11.651 28.371 4.339 53 HG23 ILE 6 HG23 ILE 6 -10.068 27.631 4.584 54 HD11 ILE 6 HD11 ILE 6 -9.538 30.770 1.882 55 HD12 ILE 6 HD12 ILE 6 -11.097 31.567 1.665 56 HD13 ILE 6 HD13 ILE 6 -11.018 29.813 1.827 57 H ALA 7 H ALA 7 -11.128 28.020 7.193 58 HA ALA 7 HA ALA 7 -8.803 27.386 8.745 59 HB1 ALA 7 HB1 ALA 7 -10.118 25.506 9.573 60 HB2 ALA 7 HB2 ALA 7 -11.338 25.805 8.336 61 HB3 ALA 7 HB3 ALA 7 -11.057 26.998 9.604 62 H ALA 8 H ALA 8 -10.286 26.138 5.821 63 HA ALA 8 HA ALA 8 -8.555 23.875 5.580 64 HB1 ALA 8 HB1 ALA 8 -9.473 23.663 3.331 65 HB2 ALA 8 HB2 ALA 8 -10.218 25.256 3.471 66 HB3 ALA 8 HB3 ALA 8 -10.759 23.934 4.507 67 H LYS 9 H LYS 9 -6.505 23.882 4.951 68 HA LYS 9 HA LYS 9 -5.427 26.325 3.756 69 HB2 LYS 9 HB3 LYS 9 -3.900 23.976 4.891 70 HB3 LYS 9 HB2 LYS 9 -3.252 25.553 4.463 71 HG2 LYS 9 HG3 LYS 9 -5.153 24.937 6.715 72 HG3 LYS 9 HG2 LYS 9 -3.452 25.384 6.852 73 HD2 LYS 9 HD3 LYS 9 -3.934 27.580 5.929 74 HD3 LYS 9 HD2 LYS 9 -5.626 27.135 5.706 75 HE2 LYS 9 HE3 LYS 9 -5.826 26.803 8.144 76 HE3 LYS 9 HE2 LYS 9 -4.157 27.338 8.331 77 HZ1 LYS 9 HZ1 LYS 9 -5.638 29.149 8.786 78 HZ2 LYS 9 HZ2 LYS 9 -6.423 28.955 7.292 79 HZ3 LYS 9 HZ3 LYS 9 -4.808 29.479 7.342 80 H LYS 10 H LYS 10 -4.382 26.320 1.800 81 HA LYS 10 HA LYS 10 -5.016 24.136 0.033 82 HB2 LYS 10 HB3 LYS 10 -3.534 26.726 -0.473 83 HB3 LYS 10 HB2 LYS 10 -4.027 25.583 -1.719 84 HG2 LYS 10 HG3 LYS 10 -6.367 25.937 -1.133 85 HG3 LYS 10 HG2 LYS 10 -5.883 27.065 0.133 86 HD2 LYS 10 HD3 LYS 10 -4.883 28.526 -1.573 87 HD3 LYS 10 HD2 LYS 10 -5.408 27.400 -2.828 88 HE2 LYS 10 HE3 LYS 10 -7.735 27.761 -2.193 89 HE3 LYS 10 HE2 LYS 10 -7.224 28.857 -0.911 90 HZ1 LYS 10 HZ1 LYS 10 -7.942 30.100 -2.821 91 HZ2 LYS 10 HZ2 LYS 10 -6.859 29.272 -3.831 92 HZ3 LYS 10 HZ3 LYS 10 -6.269 30.307 -2.626 93 H LYS 11 H LYS 11 -2.600 24.683 2.167 94 HA LYS 11 HA LYS 11 -1.015 22.571 0.933 95 HB2 LYS 11 HB3 LYS 11 0.075 25.163 2.018 96 HB3 LYS 11 HB2 LYS 11 1.060 23.706 1.939 97 HG2 LYS 11 HG3 LYS 11 -0.275 25.052 -0.402 98 HG3 LYS 11 HG2 LYS 11 1.439 25.154 0.015 99 HD2 LYS 11 HD3 LYS 11 1.774 22.847 -0.422 100 HD3 LYS 11 HD2 LYS 11 0.039 22.540 -0.505 101 HE2 LYS 11 HE3 LYS 11 1.670 24.161 -2.455 102 HE3 LYS 11 HE2 LYS 11 0.999 22.554 -2.732 103 HZ1 LYS 11 HZ1 LYS 11 -0.533 23.938 -3.732 104 HZ2 LYS 11 HZ2 LYS 11 -0.402 25.139 -2.536 105 HZ3 LYS 11 HZ3 LYS 11 -1.228 23.696 -2.204 106 H LEU 12 H LEU 12 -1.849 21.078 2.289 107 HA LEU 12 HA LEU 12 -1.989 21.557 5.135 108 HB2 LEU 12 HB3 LEU 12 -2.626 19.109 3.483 109 HB3 LEU 12 HB2 LEU 12 -2.890 19.239 5.211 110 HG LEU 12 HG LEU 12 -4.236 20.960 3.126 111 HD11 LEU 12 HD11 LEU 12 -5.285 18.632 4.729 112 HD12 LEU 12 HD12 LEU 12 -4.985 18.651 2.991 113 HD13 LEU 12 HD13 LEU 12 -6.246 19.675 3.679 114 HD21 LEU 12 HD21 LEU 12 -3.971 22.091 5.271 115 HD22 LEU 12 HD22 LEU 12 -4.689 20.710 6.098 116 HD23 LEU 12 HD23 LEU 12 -5.661 21.672 4.985 117 H HIS 13 H HIS 13 -1.251 19.503 6.474 118 HA HIS 13 HA HIS 13 1.611 19.444 6.163 119 HB2 HIS 13 HB3 HIS 13 -0.211 18.209 8.237 120 HB3 HIS 13 HB2 HIS 13 1.547 18.111 8.286 121 HD1 HIS 13 HD1 HIS 13 -1.303 20.395 8.984 122 HD2 HIS 13 HD2 HIS 13 2.856 20.563 8.875 123 HE1 HIS 13 HE1 HIS 13 -0.676 22.546 10.130 124 HE2 HIS 13 HE2 HIS 13 1.843 22.620 10.080 125 H GLN 14 H GLN 14 1.885 18.317 4.255 126 HA GLN 14 HA GLN 14 1.002 15.545 4.118 127 HB2 GLN 14 HB3 GLN 14 0.778 16.969 2.123 128 HB3 GLN 14 HB2 GLN 14 2.513 17.245 2.122 129 HG2 GLN 14 HG3 GLN 14 2.878 14.846 1.735 130 HG3 GLN 14 HG2 GLN 14 1.132 14.605 1.689 131 HE21 GLN 14 HE22 GLN 14 3.144 14.111 -0.368 132 HE22 GLN 14 HE21 GLN 14 2.657 15.035 -1.745 133 H ASP 15 H ASP 15 2.229 14.117 5.159 134 HA ASP 15 HA ASP 15 5.124 14.215 4.750 135 HB2 ASP 15 HB3 ASP 15 5.562 13.725 7.107 136 HB3 ASP 15 HB2 ASP 15 4.701 15.249 6.940 137 H LYS 16 H LYS 16 5.297 12.006 6.795 138 HA LYS 16 HA LYS 16 5.538 9.891 4.998 139 HB2 LYS 16 HB3 LYS 16 5.168 9.697 7.989 140 HB3 LYS 16 HB2 LYS 16 5.908 8.491 6.948 141 HG2 LYS 16 HG3 LYS 16 7.780 9.904 6.518 142 HG3 LYS 16 HG2 LYS 16 7.004 11.265 7.334 143 HD2 LYS 16 HD3 LYS 16 7.846 8.670 8.626 144 HD3 LYS 16 HD2 LYS 16 8.684 10.216 8.770 145 HE2 LYS 16 HE3 LYS 16 6.730 11.193 9.846 146 HE3 LYS 16 HE2 LYS 16 5.854 9.675 9.665 147 HZ1 LYS 16 HZ1 LYS 16 6.737 9.920 11.891 148 HZ2 LYS 16 HZ2 LYS 16 8.314 10.075 11.283 149 HZ3 LYS 16 HZ3 LYS 16 7.479 8.611 11.107 150 H ARG 17 H ARG 17 2.803 10.947 6.838 151 HA ARG 17 HA ARG 17 1.336 8.653 7.236 152 HB2 ARG 17 HB3 ARG 17 0.100 11.276 6.410 153 HB3 ARG 17 HB2 ARG 17 -0.588 10.042 7.459 154 HG2 ARG 17 HG3 ARG 17 1.080 10.517 9.152 155 HG3 ARG 17 HG2 ARG 17 1.832 11.714 8.096 156 HD2 ARG 17 HD3 ARG 17 -0.571 12.756 8.080 157 HD3 ARG 17 HD2 ARG 17 -0.754 11.838 9.576 158 HE ARG 17 HE ARG 17 1.398 13.820 9.150 159 HH11 ARG 17 HH11 ARG 17 -1.024 12.309 11.182 160 HH12 ARG 17 HH12 ARG 17 -0.731 13.344 12.542 161 HH21 ARG 17 HH22 ARG 17 1.785 15.201 10.929 162 HH22 ARG 17 HH21 ARG 17 0.865 15.007 12.394 163 H VAL 18 H VAL 18 1.806 10.385 4.239 164 HA VAL 18 HA VAL 18 -0.382 9.243 2.823 165 HB VAL 18 HB VAL 18 2.186 10.400 1.723 166 HG11 VAL 18 HG11 VAL 18 0.869 10.761 -0.336 167 HG12 VAL 18 HG12 VAL 18 -0.467 9.862 0.386 168 HG13 VAL 18 HG13 VAL 18 1.062 9.050 0.050 169 HG21 VAL 18 HG21 VAL 18 -0.496 11.663 2.252 170 HG22 VAL 18 HG22 VAL 18 0.845 12.443 1.412 171 HG23 VAL 18 HG23 VAL 18 1.008 11.995 3.110 172 H HIS 19 H HIS 19 2.899 8.199 3.460 173 HA HIS 19 HA HIS 19 2.568 5.911 1.677 174 HB2 HIS 19 HB3 HIS 19 4.892 7.115 3.103 175 HB3 HIS 19 HB2 HIS 19 4.942 5.389 2.763 176 HD1 HIS 19 HD1 HIS 19 6.962 7.256 1.424 177 HD2 HIS 19 HD2 HIS 19 3.344 6.141 -0.296 178 HE1 HIS 19 HE1 HIS 19 7.255 7.591 -1.049 179 HE2 HIS 19 HE2 HIS 19 5.143 6.697 -2.087 180 H GLU 20 H GLU 20 1.476 6.649 4.615 181 HA GLU 20 HA GLU 20 1.845 3.912 5.624 182 HB2 GLU 20 HB3 GLU 20 1.055 6.412 7.126 183 HB3 GLU 20 HB2 GLU 20 1.161 4.804 7.832 184 HG2 GLU 20 HG3 GLU 20 3.548 4.734 7.303 185 HG3 GLU 20 HG2 GLU 20 3.437 6.354 6.615 186 H LEU 21 H LEU 21 -0.673 6.435 5.914 187 HA LEU 21 HA LEU 21 -2.666 4.412 6.336 188 HB2 LEU 21 HB3 LEU 21 -2.835 7.410 6.137 189 HB3 LEU 21 HB2 LEU 21 -4.242 6.395 6.374 190 HG LEU 21 HG LEU 21 -3.072 5.523 8.474 191 HD11 LEU 21 HD11 LEU 21 -1.412 7.997 8.018 192 HD12 LEU 21 HD12 LEU 21 -0.829 6.333 7.969 193 HD13 LEU 21 HD13 LEU 21 -1.426 7.015 9.483 194 HD21 LEU 21 HD21 LEU 21 -3.823 7.446 9.797 195 HD22 LEU 21 HD22 LEU 21 -4.987 7.013 8.544 196 HD23 LEU 21 HD23 LEU 21 -3.930 8.408 8.323 197 H ALA 22 H ALA 22 -1.707 6.433 3.631 198 HA ALA 22 HA ALA 22 -4.118 6.270 2.190 199 HB1 ALA 22 HB1 ALA 22 -1.348 6.694 1.094 200 HB2 ALA 22 HB2 ALA 22 -2.409 7.951 1.733 201 HB3 ALA 22 HB3 ALA 22 -2.867 7.065 0.278 202 H ARG 23 H ARG 23 -1.640 3.907 2.646 203 HA ARG 23 HA ARG 23 -2.074 2.407 0.271 204 HB2 ARG 23 HB3 ARG 23 -1.198 1.333 2.959 205 HB3 ARG 23 HB2 ARG 23 -0.988 0.552 1.400 206 HG2 ARG 23 HG3 ARG 23 0.416 2.577 0.765 207 HG3 ARG 23 HG2 ARG 23 0.413 2.963 2.488 208 HD2 ARG 23 HD3 ARG 23 1.164 0.477 2.753 209 HD3 ARG 23 HD2 ARG 23 1.644 0.641 1.063 210 HE ARG 23 HE ARG 23 2.718 2.177 3.326 211 HH11 ARG 23 HH11 ARG 23 2.989 1.135 -0.021 212 HH12 ARG 23 HH12 ARG 23 4.572 1.818 -0.217 213 HH21 ARG 23 HH22 ARG 23 4.782 3.037 3.050 214 HH22 ARG 23 HH21 ARG 23 5.583 2.911 1.507 215 H VAL 24 H VAL 24 -3.506 2.359 3.488 216 HA VAL 24 HA VAL 24 -5.208 0.131 3.046 217 HB VAL 24 HB VAL 24 -5.510 2.406 5.023 218 HG11 VAL 24 HG11 VAL 24 -6.798 -0.322 5.001 219 HG12 VAL 24 HG12 VAL 24 -7.611 1.208 4.673 220 HG13 VAL 24 HG13 VAL 24 -6.953 0.886 6.277 221 HG21 VAL 24 HG21 VAL 24 -3.405 1.207 5.301 222 HG22 VAL 24 HG22 VAL 24 -4.275 -0.326 5.353 223 HG23 VAL 24 HG23 VAL 24 -4.506 0.862 6.636 224 H LYS 25 H LYS 25 -5.529 3.616 2.616 225 HA LYS 25 HA LYS 25 -8.273 3.633 1.961 226 HB2 LYS 25 HB3 LYS 25 -6.857 5.665 2.474 227 HB3 LYS 25 HB2 LYS 25 -6.199 5.528 0.849 228 HG2 LYS 25 HG3 LYS 25 -7.928 7.150 0.772 229 HG3 LYS 25 HG2 LYS 25 -8.547 5.698 -0.018 230 HD2 LYS 25 HD3 LYS 25 -9.613 5.080 2.172 231 HD3 LYS 25 HD2 LYS 25 -9.154 6.675 2.769 232 HE2 LYS 25 HE3 LYS 25 -11.366 6.941 2.065 233 HE3 LYS 25 HE2 LYS 25 -10.409 7.593 0.737 234 HZ1 LYS 25 HZ1 LYS 25 -10.694 5.506 -0.458 235 HZ2 LYS 25 HZ2 LYS 25 -12.203 6.175 -0.057 236 HZ3 LYS 25 HZ3 LYS 25 -11.595 4.872 0.833 237 H PHE 26 H PHE 26 -5.359 3.293 -0.053 238 HA PHE 26 HA PHE 26 -6.643 3.166 -2.537 239 HB2 PHE 26 HB3 PHE 26 -4.230 3.388 -2.425 240 HB3 PHE 26 HB2 PHE 26 -4.084 1.823 -1.629 241 HD1 PHE 26 HD2 PHE 26 -5.250 3.401 -4.792 242 HD2 PHE 26 HD1 PHE 26 -3.745 -0.095 -2.887 243 HE1 PHE 26 HE2 PHE 26 -5.055 2.295 -6.982 244 HE2 PHE 26 HE1 PHE 26 -3.553 -1.206 -5.072 245 HZ PHE 26 HZ PHE 26 -4.217 -0.018 -7.125 246 H MET 27 H MET 27 -5.783 0.554 -0.280 247 HA MET 27 HA MET 27 -6.848 -1.619 -1.665 248 HB2 MET 27 HB3 MET 27 -6.825 -1.079 1.311 249 HB3 MET 27 HB2 MET 27 -7.202 -2.636 0.588 250 HG2 MET 27 HG3 MET 27 -4.980 -2.810 -0.312 251 HG3 MET 27 HG2 MET 27 -4.590 -1.184 0.248 252 HE1 MET 27 HE1 MET 27 -2.807 -3.804 0.895 253 HE2 MET 27 HE2 MET 27 -2.406 -3.469 2.580 254 HE3 MET 27 HE3 MET 27 -2.396 -2.162 1.395 255 H GLN 28 H GLN 28 -8.404 0.481 0.719 256 HA GLN 28 HA GLN 28 -10.965 -0.581 0.655 257 HB2 GLN 28 HB3 GLN 28 -10.112 1.100 2.271 258 HB3 GLN 28 HB2 GLN 28 -10.202 2.319 1.008 259 HG2 GLN 28 HG3 GLN 28 -12.645 1.892 0.858 260 HG3 GLN 28 HG2 GLN 28 -12.489 0.818 2.251 261 HE21 GLN 28 HE22 GLN 28 -11.917 1.691 4.255 262 HE22 GLN 28 HE21 GLN 28 -12.146 3.375 4.605 263 H ASP 29 H ASP 29 -9.599 2.054 -1.303 264 HA ASP 29 HA ASP 29 -11.887 2.660 -2.780 265 HB2 ASP 29 HB3 ASP 29 -8.961 3.045 -3.195 266 HB3 ASP 29 HB2 ASP 29 -10.019 3.265 -4.585 267 H VAL 30 H VAL 30 -9.236 0.415 -3.590 268 HA VAL 30 HA VAL 30 -10.256 -0.383 -6.076 269 HB VAL 30 HB VAL 30 -8.495 -1.926 -4.167 270 HG11 VAL 30 HG11 VAL 30 -9.569 -3.433 -5.759 271 HG12 VAL 30 HG12 VAL 30 -7.846 -3.270 -6.098 272 HG13 VAL 30 HG13 VAL 30 -9.025 -2.417 -7.094 273 HG21 VAL 30 HG21 VAL 30 -7.550 0.199 -4.892 274 HG22 VAL 30 HG22 VAL 30 -7.832 -0.241 -6.576 275 HG23 VAL 30 HG23 VAL 30 -6.677 -1.157 -5.607 276 H VAL 31 H VAL 31 -10.732 -1.804 -2.855 277 HA VAL 31 HA VAL 31 -12.223 -4.047 -3.694 278 HB VAL 31 HB VAL 31 -12.343 -2.600 -1.036 279 HG11 VAL 31 HG11 VAL 31 -13.186 -5.402 -1.772 280 HG12 VAL 31 HG12 VAL 31 -14.254 -4.071 -1.326 281 HG13 VAL 31 HG13 VAL 31 -13.139 -4.742 -0.137 282 HG21 VAL 31 HG21 VAL 31 -10.079 -3.320 -1.608 283 HG22 VAL 31 HG22 VAL 31 -10.663 -4.960 -1.887 284 HG23 VAL 31 HG23 VAL 31 -10.729 -4.262 -0.267 285 H ASN 32 H ASN 32 -13.153 -0.747 -2.926 286 HA ASN 32 HA ASN 32 -15.984 -1.460 -3.169 287 HB2 ASN 32 HB3 ASN 32 -14.619 1.006 -2.088 288 HB3 ASN 32 HB2 ASN 32 -16.364 0.878 -2.294 289 HD21 ASN 32 HD22 ASN 32 -13.604 -0.170 -0.490 290 HD22 ASN 32 HD21 ASN 32 -14.479 -0.948 0.784 291 H SER 33 H SER 33 -13.674 -0.663 -5.236 292 HA SER 33 HA SER 33 -15.458 0.991 -6.891 293 HB2 SER 33 HB3 SER 33 -13.264 2.027 -6.498 294 HB3 SER 33 HB2 SER 33 -12.461 0.578 -7.098 295 HG SER 33 HG SER 33 -12.600 1.452 -8.989 296 H ASP 34 H ASP 34 -15.747 0.356 -9.105 297 HA ASP 34 HA ASP 34 -16.032 -2.468 -9.355 298 HB2 ASP 34 HB3 ASP 34 -17.532 -0.707 -10.399 299 HB3 ASP 34 HB2 ASP 34 -16.265 -0.463 -11.597 300 H THR 35 H THR 35 -13.400 -0.519 -9.683 301 HA THR 35 HA THR 35 -11.870 -1.380 -11.770 302 HB THR 35 HB THR 35 -10.817 -1.201 -8.945 303 HG1 THR 35 HG1 THR 35 -10.882 1.092 -10.547 304 HG21 THR 35 HG21 THR 35 -9.212 -1.895 -10.678 305 HG22 THR 35 HG22 THR 35 -8.815 -0.303 -10.026 306 HG23 THR 35 HG23 THR 35 -9.592 -0.443 -11.605 307 H PHE 36 H PHE 36 -12.195 -2.998 -8.600 308 HA PHE 36 HA PHE 36 -11.783 -5.570 -9.927 309 HB2 PHE 36 HB3 PHE 36 -10.140 -4.543 -7.613 310 HB3 PHE 36 HB2 PHE 36 -10.291 -6.259 -7.973 311 HD1 PHE 36 HD2 PHE 36 -9.610 -7.021 -10.327 312 HD2 PHE 36 HD1 PHE 36 -8.507 -3.267 -8.652 313 HE1 PHE 36 HE2 PHE 36 -7.760 -6.848 -11.940 314 HE2 PHE 36 HE1 PHE 36 -6.658 -3.088 -10.263 315 HZ PHE 36 HZ PHE 36 -6.282 -4.881 -11.909 316 H LYS 37 H LYS 37 -14.067 -4.169 -8.785 317 HA LYS 37 HA LYS 37 -14.705 -5.027 -6.190 318 HB2 LYS 37 HB3 LYS 37 -15.792 -3.184 -7.565 319 HB3 LYS 37 HB2 LYS 37 -16.695 -4.449 -8.382 320 HG2 LYS 37 HG3 LYS 37 -17.911 -4.985 -6.461 321 HG3 LYS 37 HG2 LYS 37 -16.773 -4.147 -5.401 322 HD2 LYS 37 HD3 LYS 37 -17.447 -2.006 -6.333 323 HD3 LYS 37 HD2 LYS 37 -18.542 -2.817 -7.453 324 HE2 LYS 37 HE3 LYS 37 -18.762 -3.021 -4.457 325 HE3 LYS 37 HE2 LYS 37 -19.625 -1.820 -5.416 326 HZ1 LYS 37 HZ1 LYS 37 -19.895 -4.775 -5.616 327 HZ2 LYS 37 HZ2 LYS 37 -20.645 -3.667 -6.658 328 HZ3 LYS 37 HZ3 LYS 37 -21.049 -3.687 -5.013 329 H GLY 38 H GLY 38 -14.623 -6.773 -9.123 330 HA2 GLY 38 HA3 GLY 38 -16.498 -8.809 -8.521 331 HA3 GLY 38 HA2 GLY 38 -15.136 -8.957 -9.623 332 H GLN 39 H GLN 39 -13.325 -8.119 -7.339 333 HA GLN 39 HA GLN 39 -13.294 -10.710 -5.928 334 HB2 GLN 39 HB3 GLN 39 -10.949 -8.974 -6.736 335 HB3 GLN 39 HB2 GLN 39 -10.828 -10.400 -5.719 336 HG2 GLN 39 HG3 GLN 39 -10.177 -11.129 -7.827 337 HG3 GLN 39 HG2 GLN 39 -11.841 -11.682 -7.668 338 HE21 GLN 39 HE22 GLN 39 -11.027 -8.348 -8.299 339 HE22 GLN 39 HE21 GLN 39 -11.596 -8.318 -9.931 340 HA PRO 40 HA PRO 40 -14.179 -7.723 -2.631 341 HB2 PRO 40 HB2 PRO 40 -14.444 -10.215 -1.062 342 HB3 PRO 40 HB3 PRO 40 -15.595 -8.893 -1.274 343 HG2 PRO 40 HG3 PRO 40 -15.980 -11.259 -2.454 344 HG3 PRO 40 HG2 PRO 40 -16.407 -9.743 -3.270 345 HD2 PRO 40 HD3 PRO 40 -14.015 -11.503 -3.670 346 HD3 PRO 40 HD2 PRO 40 -15.010 -10.662 -4.879 347 H ILE 41 H ILE 41 -11.955 -10.449 -2.525 348 HA ILE 41 HA ILE 41 -10.243 -8.914 -0.710 349 HB ILE 41 HB ILE 41 -10.850 -11.857 -0.353 350 HG12 ILE 41 HG13 ILE 41 -11.540 -9.473 1.377 351 HG13 ILE 41 HG12 ILE 41 -12.679 -10.415 0.423 352 HG21 ILE 41 HG21 ILE 41 -9.055 -10.026 1.236 353 HG22 ILE 41 HG22 ILE 41 -8.529 -11.325 0.166 354 HG23 ILE 41 HG23 ILE 41 -9.429 -11.703 1.636 355 HD11 ILE 41 HD11 ILE 41 -11.107 -11.339 2.808 356 HD12 ILE 41 HD12 ILE 41 -12.108 -12.387 1.801 357 HD13 ILE 41 HD13 ILE 41 -12.846 -11.065 2.705 358 H PHE 42 H PHE 42 -8.109 -9.050 -1.147 359 HA PHE 42 HA PHE 42 -7.327 -10.666 -3.471 360 HB2 PHE 42 HB3 PHE 42 -5.973 -8.227 -2.290 361 HB3 PHE 42 HB2 PHE 42 -5.487 -9.075 -3.757 362 HD1 PHE 42 HD2 PHE 42 -6.948 -9.004 -5.761 363 HD2 PHE 42 HD1 PHE 42 -7.735 -6.643 -2.306 364 HE1 PHE 42 HE2 PHE 42 -8.459 -7.578 -7.081 365 HE2 PHE 42 HE1 PHE 42 -9.247 -5.217 -3.622 366 HZ PHE 42 HZ PHE 42 -9.610 -5.685 -6.011 367 H ASP 43 H ASP 43 -5.260 -11.750 -3.395 368 HA ASP 43 HA ASP 43 -4.837 -12.887 -0.767 369 HB2 ASP 43 HB3 ASP 43 -3.790 -14.658 -1.819 370 HB3 ASP 43 HB2 ASP 43 -4.884 -14.112 -3.084 371 H HIS 44 H HIS 44 -2.291 -13.528 -0.511 372 HA HIS 44 HA HIS 44 -1.169 -11.049 0.336 373 HB2 HIS 44 HB3 HIS 44 -0.132 -13.877 0.435 374 HB3 HIS 44 HB2 HIS 44 0.761 -12.503 1.082 375 HD1 HIS 44 HD1 HIS 44 -0.731 -15.065 2.563 376 HD2 HIS 44 HD2 HIS 44 -1.752 -11.028 2.644 377 HE1 HIS 44 HE1 HIS 44 -2.073 -14.739 4.667 378 HE2 HIS 44 HE2 HIS 44 -2.544 -12.267 4.785 379 H ALA 45 H ALA 45 -0.677 -13.094 -2.465 380 HA ALA 45 HA ALA 45 1.791 -11.913 -3.264 381 HB1 ALA 45 HB1 ALA 45 -0.327 -13.206 -4.981 382 HB2 ALA 45 HB2 ALA 45 1.013 -14.043 -4.197 383 HB3 ALA 45 HB3 ALA 45 1.334 -12.859 -5.464 384 H HIS 46 H HIS 46 -1.611 -11.227 -3.923 385 HA HIS 46 HA HIS 46 -1.097 -8.949 -5.554 386 HB2 HIS 46 HB3 HIS 46 -3.542 -10.004 -4.168 387 HB3 HIS 46 HB2 HIS 46 -3.560 -8.415 -4.931 388 HD1 HIS 46 HD1 HIS 46 -3.299 -12.074 -5.728 389 HD2 HIS 46 HD2 HIS 46 -3.593 -8.426 -7.709 390 HE1 HIS 46 HE1 HIS 46 -3.721 -12.641 -8.147 391 HE2 HIS 46 HE2 HIS 46 -3.622 -10.423 -9.345 392 H THR 47 H THR 47 -1.264 -9.472 -2.125 393 HA THR 47 HA THR 47 -1.379 -6.841 -1.206 394 HB THR 47 HB THR 47 0.278 -9.164 -0.204 395 HG1 THR 47 HG1 THR 47 -2.249 -8.861 -0.120 396 HG21 THR 47 HG21 THR 47 1.371 -7.176 0.571 397 HG22 THR 47 HG22 THR 47 0.460 -7.856 1.921 398 HG23 THR 47 HG23 THR 47 -0.166 -6.451 1.051 399 H ARG 48 H ARG 48 1.506 -8.760 -1.962 400 HA ARG 48 HA ARG 48 3.443 -6.800 -1.974 401 HB2 ARG 48 HB3 ARG 48 4.036 -9.108 -2.204 402 HB3 ARG 48 HB2 ARG 48 3.103 -9.262 -3.687 403 HG2 ARG 48 HG3 ARG 48 4.767 -7.427 -4.548 404 HG3 ARG 48 HG2 ARG 48 5.782 -8.055 -3.244 405 HD2 ARG 48 HD3 ARG 48 6.235 -9.198 -5.359 406 HD3 ARG 48 HD2 ARG 48 5.578 -10.305 -4.151 407 HE ARG 48 HE ARG 48 3.362 -9.817 -5.360 408 HH11 ARG 48 HH11 ARG 48 6.491 -9.975 -6.930 409 HH12 ARG 48 HH12 ARG 48 5.833 -10.474 -8.463 410 HH21 ARG 48 HH22 ARG 48 2.494 -10.458 -7.374 411 HH22 ARG 48 HH21 ARG 48 3.572 -10.757 -8.705 412 H GLU 49 H GLU 49 1.296 -7.811 -4.572 413 HA GLU 49 HA GLU 49 2.347 -6.267 -6.644 414 HB2 GLU 49 HB3 GLU 49 0.725 -8.171 -6.816 415 HB3 GLU 49 HB2 GLU 49 -0.534 -7.079 -6.261 416 HG2 GLU 49 HG3 GLU 49 -0.276 -5.710 -8.217 417 HG3 GLU 49 HG2 GLU 49 1.097 -6.682 -8.755 418 H PHE 50 H PHE 50 -0.389 -5.545 -4.459 419 HA PHE 50 HA PHE 50 -0.791 -2.957 -5.588 420 HB2 PHE 50 HB3 PHE 50 -1.905 -4.378 -3.197 421 HB3 PHE 50 HB2 PHE 50 -2.213 -2.660 -3.436 422 HD1 PHE 50 HD1 PHE 50 -2.492 -2.511 -6.346 423 HD2 PHE 50 HD2 PHE 50 -3.959 -5.410 -3.599 424 HE1 PHE 50 HE1 PHE 50 -4.343 -3.018 -7.879 425 HE2 PHE 50 HE2 PHE 50 -5.814 -5.924 -5.133 426 HZ PHE 50 HZ PHE 50 -6.005 -4.721 -7.275 427 H ILE 51 H ILE 51 0.902 -4.149 -2.713 428 HA ILE 51 HA ILE 51 1.526 -1.656 -1.602 429 HB ILE 51 HB ILE 51 3.053 -4.254 -1.509 430 HG12 ILE 51 HG13 ILE 51 0.893 -4.275 -0.367 431 HG13 ILE 51 HG12 ILE 51 2.200 -4.327 0.810 432 HG21 ILE 51 HG21 ILE 51 4.647 -2.447 -1.207 433 HG22 ILE 51 HG22 ILE 51 4.369 -3.281 0.322 434 HG23 ILE 51 HG23 ILE 51 3.612 -1.717 0.020 435 HD11 ILE 51 HD11 ILE 51 0.589 -1.895 0.066 436 HD12 ILE 51 HD12 ILE 51 1.896 -1.946 1.250 437 HD13 ILE 51 HD13 ILE 51 0.413 -2.857 1.534 438 H GLN 52 H GLN 52 3.257 -3.631 -3.985 439 HA GLN 52 HA GLN 52 5.416 -1.865 -4.394 440 HB2 GLN 52 HB3 GLN 52 5.481 -4.210 -5.093 441 HB3 GLN 52 HB2 GLN 52 4.205 -3.912 -6.264 442 HG2 GLN 52 HG3 GLN 52 6.330 -4.020 -7.382 443 HG3 GLN 52 HG2 GLN 52 5.696 -2.378 -7.473 444 HE21 GLN 52 HE22 GLN 52 6.702 -0.739 -6.319 445 HE22 GLN 52 HE21 GLN 52 8.291 -0.921 -5.663 446 H SER 53 H SER 53 2.253 -2.148 -5.956 447 HA SER 53 HA SER 53 2.741 -0.259 -8.001 448 HB2 SER 53 HB3 SER 53 0.133 -1.153 -6.754 449 HB3 SER 53 HB2 SER 53 0.266 -0.195 -8.230 450 HG SER 53 HG SER 53 1.087 -2.869 -7.765 451 H PHE 54 H PHE 54 1.600 0.059 -4.684 452 HA PHE 54 HA PHE 54 0.811 2.768 -4.877 453 HB2 PHE 54 HB3 PHE 54 0.214 1.204 -2.994 454 HB3 PHE 54 HB2 PHE 54 1.865 1.382 -2.403 455 HD1 PHE 54 HD2 PHE 54 -1.278 3.184 -3.076 456 HD2 PHE 54 HD1 PHE 54 2.526 3.292 -1.175 457 HE1 PHE 54 HE2 PHE 54 -1.943 5.221 -1.871 458 HE2 PHE 54 HE1 PHE 54 1.868 5.331 0.033 459 HZ PHE 54 HZ PHE 54 -0.369 6.298 -0.314 460 H ILE 55 H ILE 55 3.868 1.193 -4.112 461 HA ILE 55 HA ILE 55 5.345 3.583 -3.633 462 HB ILE 55 HB ILE 55 6.357 0.889 -4.574 463 HG12 ILE 55 HG13 ILE 55 6.129 1.964 -1.756 464 HG13 ILE 55 HG12 ILE 55 5.035 0.783 -2.469 465 HG21 ILE 55 HG21 ILE 55 7.994 2.654 -4.896 466 HG22 ILE 55 HG22 ILE 55 8.491 1.590 -3.579 467 HG23 ILE 55 HG23 ILE 55 7.793 3.169 -3.221 468 HD11 ILE 55 HD11 ILE 55 6.886 -0.786 -2.709 469 HD12 ILE 55 HD12 ILE 55 6.683 -0.277 -1.033 470 HD13 ILE 55 HD13 ILE 55 7.986 0.401 -2.009 471 H GLU 56 H GLU 56 4.417 1.769 -6.436 472 HA GLU 56 HA GLU 56 6.242 2.969 -8.271 473 HB2 GLU 56 HB3 GLU 56 5.121 0.729 -8.521 474 HB3 GLU 56 HB2 GLU 56 3.628 1.584 -8.875 475 HG2 GLU 56 HG3 GLU 56 4.491 2.456 -10.888 476 HG3 GLU 56 HG2 GLU 56 6.137 1.967 -10.474 477 H ARG 57 H ARG 57 3.287 3.935 -6.845 478 HA ARG 57 HA ARG 57 2.366 5.801 -8.735 479 HB2 ARG 57 HB3 ARG 57 0.953 5.292 -6.882 480 HB3 ARG 57 HB2 ARG 57 2.200 5.728 -5.722 481 HG2 ARG 57 HG3 ARG 57 2.019 8.075 -6.449 482 HG3 ARG 57 HG2 ARG 57 0.714 7.612 -7.542 483 HD2 ARG 57 HD3 ARG 57 0.611 7.068 -4.590 484 HD3 ARG 57 HD2 ARG 57 0.055 8.588 -5.284 485 HE ARG 57 HE ARG 57 -1.085 6.139 -6.391 486 HH11 ARG 57 HH11 ARG 57 -1.425 8.849 -4.194 487 HH12 ARG 57 HH12 ARG 57 -3.156 8.735 -4.098 488 HH21 ARG 57 HH22 ARG 57 -3.372 5.996 -6.297 489 HH22 ARG 57 HH21 ARG 57 -4.266 7.131 -5.327 490 H ASP 58 H ASP 58 4.957 5.923 -6.378 491 HA ASP 58 HA ASP 58 5.425 8.698 -6.417 492 HB2 ASP 58 HB3 ASP 58 7.175 6.341 -5.741 493 HB3 ASP 58 HB2 ASP 58 7.782 7.990 -5.669 494 H ASP 59 H ASP 59 6.180 6.225 -8.709 495 HA ASP 59 HA ASP 59 8.331 7.447 -10.055 496 HB2 ASP 59 HB3 ASP 59 6.284 5.410 -10.823 497 HB3 ASP 59 HB2 ASP 59 7.268 6.137 -12.087 498 H THR 60 H THR 60 4.956 8.159 -10.018 499 HA THR 60 HA THR 60 4.683 9.405 -12.520 500 HB THR 60 HB THR 60 3.200 10.241 -10.032 501 HG1 THR 60 HG1 THR 60 2.762 8.146 -9.941 502 HG21 THR 60 HG21 THR 60 1.347 10.580 -11.614 503 HG22 THR 60 HG22 THR 60 2.395 10.081 -12.942 504 HG23 THR 60 HG23 THR 60 2.751 11.557 -12.042 505 H GLU 61 H GLU 61 5.562 10.698 -9.349 506 HA GLU 61 HA GLU 61 5.872 13.384 -10.230 507 HB2 GLU 61 HB3 GLU 61 6.930 11.937 -7.798 508 HB3 GLU 61 HB2 GLU 61 7.146 13.661 -8.074 509 HG2 GLU 61 HG3 GLU 61 4.721 13.961 -8.082 510 HG3 GLU 61 HG2 GLU 61 4.509 12.234 -7.799 511 H LEU 62 H LEU 62 7.955 10.586 -10.076 512 HA LEU 62 HA LEU 62 10.402 11.945 -10.514 513 HB2 LEU 62 HB3 LEU 62 10.281 9.666 -9.613 514 HB3 LEU 62 HB2 LEU 62 9.653 9.091 -11.145 515 HG LEU 62 HG LEU 62 11.759 9.614 -12.247 516 HD11 LEU 62 HD11 LEU 62 12.400 11.570 -10.936 517 HD12 LEU 62 HD12 LEU 62 13.698 10.377 -10.970 518 HD13 LEU 62 HD13 LEU 62 12.690 10.543 -9.532 519 HD21 LEU 62 HD21 LEU 62 12.111 8.047 -9.696 520 HD22 LEU 62 HD22 LEU 62 13.190 7.985 -11.090 521 HD23 LEU 62 HD23 LEU 62 11.525 7.423 -11.238 522 H ASP 63 H ASP 63 8.017 10.480 -12.702 523 HA ASP 63 HA ASP 63 9.507 10.964 -15.066 524 HB2 ASP 63 HB3 ASP 63 7.596 9.399 -15.023 525 HB3 ASP 63 HB2 ASP 63 6.501 10.760 -14.781 526 H GLU 64 H GLU 64 7.154 12.864 -13.252 527 HA GLU 64 HA GLU 64 6.977 15.049 -14.989 528 HB2 GLU 64 HB3 GLU 64 6.644 14.722 -12.034 529 HB3 GLU 64 HB2 GLU 64 6.625 16.334 -12.736 530 HG2 GLU 64 HG3 GLU 64 4.829 14.085 -13.609 531 HG3 GLU 64 HG2 GLU 64 4.379 15.324 -12.438 532 H LEU 65 H LEU 65 9.361 14.279 -12.492 533 HA LEU 65 HA LEU 65 10.863 16.654 -12.677 534 HB2 LEU 65 HB3 LEU 65 11.789 13.854 -12.016 535 HB3 LEU 65 HB2 LEU 65 12.718 15.314 -11.734 536 HG LEU 65 HG LEU 65 10.091 14.627 -10.409 537 HD11 LEU 65 HD11 LEU 65 11.441 14.372 -8.383 538 HD12 LEU 65 HD12 LEU 65 12.906 14.638 -9.329 539 HD13 LEU 65 HD13 LEU 65 11.909 13.214 -9.628 540 HD21 LEU 65 HD21 LEU 65 11.976 16.940 -9.959 541 HD22 LEU 65 HD22 LEU 65 10.542 16.574 -8.998 542 HD23 LEU 65 HD23 LEU 65 10.374 17.032 -10.693 543 H LYS 66 H LYS 66 11.122 13.564 -14.375 544 HA LYS 66 HA LYS 66 13.309 14.179 -16.032 545 HB2 LYS 66 HB3 LYS 66 10.953 12.343 -16.494 546 HB3 LYS 66 HB2 LYS 66 12.397 12.369 -17.492 547 HG2 LYS 66 HG3 LYS 66 13.734 11.506 -15.768 548 HG3 LYS 66 HG2 LYS 66 12.511 11.843 -14.541 549 HD2 LYS 66 HD3 LYS 66 11.068 10.140 -15.432 550 HD3 LYS 66 HD2 LYS 66 12.144 9.886 -16.806 551 HE2 LYS 66 HE3 LYS 66 12.963 9.436 -13.942 552 HE3 LYS 66 HE2 LYS 66 12.303 8.169 -14.975 553 HZ1 LYS 66 HZ1 LYS 66 14.730 8.154 -14.952 554 HZ2 LYS 66 HZ2 LYS 66 14.759 9.740 -15.551 555 HZ3 LYS 66 HZ3 LYS 66 14.131 8.483 -16.501 556 H LYS 67 H LYS 67 9.921 14.940 -16.248 557 HA LYS 67 HA LYS 67 10.003 15.723 -19.013 558 HB2 LYS 67 HB3 LYS 67 7.999 14.736 -17.998 559 HB3 LYS 67 HB2 LYS 67 7.870 16.107 -16.908 560 HG2 LYS 67 HG3 LYS 67 7.272 17.567 -18.650 561 HG3 LYS 67 HG2 LYS 67 7.765 16.412 -19.892 562 HD2 LYS 67 HD3 LYS 67 5.752 15.464 -19.890 563 HD3 LYS 67 HD2 LYS 67 5.818 15.223 -18.144 564 HE2 LYS 67 HE3 LYS 67 4.978 17.767 -19.528 565 HE3 LYS 67 HE2 LYS 67 3.881 16.573 -18.835 566 HZ1 LYS 67 HZ1 LYS 67 4.135 18.279 -17.243 567 HZ2 LYS 67 HZ2 LYS 67 5.824 18.288 -17.400 568 HZ3 LYS 67 HZ3 LYS 67 5.045 16.965 -16.672 569 H LYS 68 H LYS 68 10.054 17.371 -15.885 570 HA LYS 68 HA LYS 68 9.916 20.014 -16.947 571 HB2 LYS 68 HB3 LYS 68 11.062 19.039 -14.322 572 HB3 LYS 68 HB2 LYS 68 10.742 20.721 -14.723 573 HG2 LYS 68 HG3 LYS 68 8.372 20.271 -14.875 574 HG3 LYS 68 HG2 LYS 68 8.657 18.554 -14.587 575 HD2 LYS 68 HD3 LYS 68 9.667 19.181 -12.383 576 HD3 LYS 68 HD2 LYS 68 9.124 20.836 -12.674 577 HE2 LYS 68 HE3 LYS 68 7.360 18.391 -12.533 578 HE3 LYS 68 HE2 LYS 68 7.549 19.597 -11.261 579 HZ1 LYS 68 HZ1 LYS 68 6.584 21.257 -12.683 580 HZ2 LYS 68 HZ2 LYS 68 5.538 19.922 -12.613 581 HZ3 LYS 68 HZ3 LYS 68 6.502 20.172 -13.984 582 H ARG 69 H ARG 69 12.367 17.665 -16.706 583 HA ARG 69 HA ARG 69 14.704 19.169 -16.835 584 HB2 ARG 69 HB3 ARG 69 14.797 16.807 -16.496 585 HB3 ARG 69 HB2 ARG 69 13.950 16.492 -18.002 586 HG2 ARG 69 HG3 ARG 69 15.887 17.337 -19.249 587 HG3 ARG 69 HG2 ARG 69 16.737 17.592 -17.722 588 HD2 ARG 69 HD3 ARG 69 17.375 15.475 -18.808 589 HD3 ARG 69 HD2 ARG 69 16.634 15.223 -17.229 590 HE ARG 69 HE ARG 69 14.518 14.924 -18.800 591 HH11 ARG 69 HH11 ARG 69 17.776 13.717 -19.206 592 HH12 ARG 69 HH12 ARG 69 17.278 12.253 -20.007 593 HH21 ARG 69 HH22 ARG 69 13.840 12.997 -19.873 594 HH22 ARG 69 HH21 ARG 69 15.042 11.845 -20.394 595 H ARG 70 H ARG 70 12.306 18.452 -19.287 596 HA ARG 70 HA ARG 70 13.822 19.125 -21.567 597 HB2 ARG 70 HB3 ARG 70 11.730 17.886 -21.743 598 HB3 ARG 70 HB2 ARG 70 10.835 19.258 -21.106 599 HG2 ARG 70 HG3 ARG 70 11.511 20.573 -23.089 600 HG3 ARG 70 HG2 ARG 70 12.295 19.131 -23.738 601 HD2 ARG 70 HD3 ARG 70 9.373 19.312 -23.018 602 HD3 ARG 70 HD2 ARG 70 10.014 19.545 -24.643 603 HE ARG 70 HE ARG 70 10.827 17.206 -24.502 604 HH11 ARG 70 HH11 ARG 70 8.227 18.243 -22.365 605 HH12 ARG 70 HH12 ARG 70 7.544 16.646 -22.242 606 HH21 ARG 70 HH22 ARG 70 9.891 15.125 -24.350 607 HH22 ARG 70 HH21 ARG 70 8.478 14.889 -23.357 608 H SER 71 H SER 71 11.963 21.064 -19.308 609 HA SER 71 HA SER 71 12.248 23.454 -20.907 610 HB2 SER 71 HB3 SER 71 11.224 24.488 -18.739 611 HB3 SER 71 HB2 SER 71 10.224 23.469 -19.771 612 HG SER 71 HG SER 71 11.681 22.335 -17.636 613 H ASN 72 H ASN 72 14.589 21.943 -19.715 614 HA ASN 72 HA ASN 72 16.730 22.586 -19.378 615 HB2 ASN 72 HB3 ASN 72 15.536 25.352 -19.307 616 HB3 ASN 72 HB2 ASN 72 17.246 25.055 -19.014 617 HD21 ASN 72 HD22 ASN 72 15.918 26.532 -21.156 618 HD22 ASN 72 HD21 ASN 72 16.447 25.803 -22.635 619 H ARG 73 H ARG 73 14.524 22.163 -17.247 620 HA ARG 73 HA ARG 73 16.273 22.976 -15.042 621 HB2 ARG 73 HB3 ARG 73 13.288 22.579 -14.821 622 HB3 ARG 73 HB2 ARG 73 14.370 23.136 -13.556 623 HG2 ARG 73 HG3 ARG 73 13.513 24.597 -16.034 624 HG3 ARG 73 HG2 ARG 73 13.197 25.022 -14.354 625 HD2 ARG 73 HD3 ARG 73 15.824 25.125 -15.820 626 HD3 ARG 73 HD2 ARG 73 14.896 26.479 -15.184 627 HE ARG 73 HE ARG 73 15.978 24.480 -13.325 628 HH11 ARG 73 HH11 ARG 73 15.952 27.735 -14.595 629 HH12 ARG 73 HH12 ARG 73 16.966 28.380 -13.343 630 HH21 ARG 73 HH22 ARG 73 17.329 25.316 -11.675 631 HH22 ARG 73 HH21 ARG 73 17.733 27.006 -11.668 632 HA PRO 74 HA PRO 74 16.113 18.403 -14.757 633 HB2 PRO 74 HB2 PRO 74 18.962 18.494 -14.318 634 HB3 PRO 74 HB3 PRO 74 18.088 17.768 -15.666 635 HG2 PRO 74 HG3 PRO 74 19.700 19.975 -15.894 636 HG3 PRO 74 HG2 PRO 74 18.362 19.602 -16.994 637 HD2 PRO 74 HD3 PRO 74 18.452 21.518 -14.697 638 HD3 PRO 74 HD2 PRO 74 17.678 21.697 -16.287 639 HA PRO 75 HA PRO 75 16.211 19.268 -10.321 640 HB2 PRO 75 HB2 PRO 75 14.740 16.776 -10.047 641 HB3 PRO 75 HB3 PRO 75 14.196 18.425 -9.724 642 HG2 PRO 75 HG3 PRO 75 13.239 16.933 -11.784 643 HG3 PRO 75 HG2 PRO 75 13.349 18.703 -11.840 644 HD2 PRO 75 HD3 PRO 75 15.183 16.649 -13.026 645 HD3 PRO 75 HD2 PRO 75 14.593 18.173 -13.728 646 H SER 76 H SER 76 18.566 18.442 -11.066 647 HA SER 76 HA SER 76 19.448 15.874 -10.838 648 HB2 SER 76 HB3 SER 76 21.617 16.955 -9.988 649 HB3 SER 76 HB2 SER 76 20.991 17.505 -11.543 650 HG SER 76 HG SER 76 20.712 19.430 -10.737 651 H ASN 77 H ASN 77 19.313 18.193 -8.130 652 HA ASN 77 HA ASN 77 19.980 16.221 -6.177 653 HB2 ASN 77 HB3 ASN 77 20.440 18.628 -5.853 654 HB3 ASN 77 HB2 ASN 77 18.708 18.941 -5.798 655 HD21 ASN 77 HD22 ASN 77 18.607 19.693 -3.743 656 HD22 ASN 77 HD21 ASN 77 18.942 18.727 -2.350 657 H ARG 78 H ARG 78 16.958 17.632 -7.322 658 HA ARG 78 HA ARG 78 15.395 16.673 -5.155 659 HB2 ARG 78 HB3 ARG 78 15.026 18.508 -7.162 660 HB3 ARG 78 HB2 ARG 78 13.946 17.206 -7.643 661 HG2 ARG 78 HG3 ARG 78 12.711 17.351 -5.638 662 HG3 ARG 78 HG2 ARG 78 13.930 18.378 -4.876 663 HD2 ARG 78 HD3 ARG 78 13.439 20.120 -6.578 664 HD3 ARG 78 HD2 ARG 78 12.135 19.104 -7.188 665 HE ARG 78 HE ARG 78 11.015 19.388 -5.048 666 HH11 ARG 78 HH11 ARG 78 13.710 21.546 -5.688 667 HH12 ARG 78 HH12 ARG 78 13.123 22.798 -4.636 668 HH21 ARG 78 HH22 ARG 78 10.244 21.072 -3.659 669 HH22 ARG 78 HH21 ARG 78 11.182 22.531 -3.504 670 H GLN 79 H GLN 79 16.308 15.308 -8.251 671 HA GLN 79 HA GLN 79 14.431 13.162 -8.217 672 HB2 GLN 79 HB3 GLN 79 17.107 13.453 -9.594 673 HB3 GLN 79 HB2 GLN 79 16.046 12.070 -9.818 674 HG2 GLN 79 HG3 GLN 79 14.313 13.527 -10.713 675 HG3 GLN 79 HG2 GLN 79 15.351 14.929 -10.458 676 HE21 GLN 79 HE22 GLN 79 16.532 11.835 -11.559 677 HE22 GLN 79 HE21 GLN 79 16.949 12.345 -13.158 678 H VAL 80 H VAL 80 17.422 13.792 -6.623 679 HA VAL 80 HA VAL 80 17.983 11.106 -5.827 680 HB VAL 80 HB VAL 80 18.857 13.704 -4.541 681 HG11 VAL 80 HG11 VAL 80 19.925 10.903 -4.194 682 HG12 VAL 80 HG12 VAL 80 19.038 11.837 -2.989 683 HG13 VAL 80 HG13 VAL 80 20.637 12.365 -3.513 684 HG21 VAL 80 HG21 VAL 80 19.609 13.537 -6.842 685 HG22 VAL 80 HG22 VAL 80 20.246 11.921 -6.538 686 HG23 VAL 80 HG23 VAL 80 20.969 13.317 -5.741 687 H LEU 81 H LEU 81 16.263 13.838 -4.377 688 HA LEU 81 HA LEU 81 15.529 12.560 -1.977 689 HB2 LEU 81 HB3 LEU 81 14.387 14.850 -3.537 690 HB3 LEU 81 HB2 LEU 81 13.515 14.214 -2.157 691 HG LEU 81 HG LEU 81 15.502 14.695 -0.733 692 HD11 LEU 81 HD11 LEU 81 16.536 16.083 -3.199 693 HD12 LEU 81 HD12 LEU 81 17.233 14.651 -2.441 694 HD13 LEU 81 HD13 LEU 81 17.234 16.192 -1.583 695 HD21 LEU 81 HD21 LEU 81 13.634 16.247 -0.843 696 HD22 LEU 81 HD22 LEU 81 14.360 17.040 -2.241 697 HD23 LEU 81 HD23 LEU 81 15.161 17.113 -0.671 698 H LEU 82 H LEU 82 14.106 12.584 -5.190 699 HA LEU 82 HA LEU 82 11.765 11.126 -4.595 700 HB2 LEU 82 HB3 LEU 82 12.581 12.342 -6.787 701 HB3 LEU 82 HB2 LEU 82 13.250 10.773 -7.177 702 HG LEU 82 HG LEU 82 11.081 11.127 -8.250 703 HD11 LEU 82 HD11 LEU 82 11.687 8.846 -7.711 704 HD12 LEU 82 HD12 LEU 82 9.949 9.081 -7.521 705 HD13 LEU 82 HD13 LEU 82 10.991 9.020 -6.099 706 HD21 LEU 82 HD21 LEU 82 10.100 12.634 -6.617 707 HD22 LEU 82 HD22 LEU 82 9.995 11.317 -5.448 708 HD23 LEU 82 HD23 LEU 82 9.037 11.261 -6.929 709 H GLN 83 H GLN 83 15.021 10.129 -5.590 710 HA GLN 83 HA GLN 83 14.683 7.370 -5.590 711 HB2 GLN 83 HB3 GLN 83 16.722 8.345 -6.415 712 HB3 GLN 83 HB2 GLN 83 17.088 9.037 -4.840 713 HG2 GLN 83 HG3 GLN 83 17.344 6.773 -3.925 714 HG3 GLN 83 HG2 GLN 83 17.027 6.107 -5.525 715 HE21 GLN 83 HE22 GLN 83 19.380 5.923 -3.767 716 HE22 GLN 83 HE21 GLN 83 20.712 6.480 -4.719 717 H GLN 84 H GLN 84 15.581 9.505 -2.891 718 HA GLN 84 HA GLN 84 15.911 7.571 -0.914 719 HB2 GLN 84 HB3 GLN 84 14.895 10.405 -0.674 720 HB3 GLN 84 HB2 GLN 84 15.375 9.408 0.692 721 HG2 GLN 84 HG3 GLN 84 17.641 9.291 -0.162 722 HG3 GLN 84 HG2 GLN 84 17.170 10.232 -1.578 723 HE21 GLN 84 HE22 GLN 84 19.150 10.784 0.519 724 HE22 GLN 84 HE21 GLN 84 18.711 12.318 1.191 725 H ARG 85 H ARG 85 12.980 9.240 -1.973 726 HA ARG 85 HA ARG 85 11.165 8.321 -0.092 727 HB2 ARG 85 HB3 ARG 85 10.811 8.891 -3.038 728 HB3 ARG 85 HB2 ARG 85 9.465 8.525 -1.968 729 HG2 ARG 85 HG3 ARG 85 9.775 10.498 -0.730 730 HG3 ARG 85 HG2 ARG 85 11.374 10.775 -1.421 731 HD2 ARG 85 HD3 ARG 85 9.673 12.281 -2.365 732 HD3 ARG 85 HD2 ARG 85 10.396 11.237 -3.586 733 HE ARG 85 HE ARG 85 8.187 9.858 -2.907 734 HH11 ARG 85 HH11 ARG 85 8.636 13.239 -3.757 735 HH12 ARG 85 HH12 ARG 85 7.074 13.387 -4.505 736 HH21 ARG 85 HH22 ARG 85 6.155 10.053 -3.862 737 HH22 ARG 85 HH21 ARG 85 5.648 11.586 -4.546 738 H ARG 86 H ARG 86 11.996 6.829 -3.209 739 HA ARG 86 HA ARG 86 10.390 4.513 -2.788 740 HB2 ARG 86 HB3 ARG 86 11.064 5.381 -5.022 741 HB3 ARG 86 HB2 ARG 86 12.715 4.881 -4.682 742 HG2 ARG 86 HG3 ARG 86 11.723 2.540 -4.338 743 HG3 ARG 86 HG2 ARG 86 10.299 3.181 -5.164 744 HD2 ARG 86 HD3 ARG 86 13.088 2.836 -6.212 745 HD3 ARG 86 HD2 ARG 86 11.577 2.209 -6.868 746 HE ARG 86 HE ARG 86 12.586 4.952 -7.107 747 HH11 ARG 86 HH11 ARG 86 10.149 2.565 -7.902 748 HH12 ARG 86 HH12 ARG 86 9.449 3.517 -9.179 749 HH21 ARG 86 HH22 ARG 86 11.712 6.174 -8.787 750 HH22 ARG 86 HH21 ARG 86 10.376 5.550 -9.719 751 H ASP 87 H ASP 87 13.786 5.280 -2.304 752 HA ASP 87 HA ASP 87 14.789 2.693 -1.970 753 HB2 ASP 87 HB3 ASP 87 16.180 4.720 -2.278 754 HB3 ASP 87 HB2 ASP 87 15.758 5.236 -0.648 755 H GLN 88 H GLN 88 13.494 4.974 0.416 756 HA GLN 88 HA GLN 88 13.866 3.263 2.647 757 HB2 GLN 88 HB3 GLN 88 13.551 5.666 2.932 758 HB3 GLN 88 HB2 GLN 88 11.931 5.552 2.253 759 HG2 GLN 88 HG3 GLN 88 11.794 5.718 4.648 760 HG3 GLN 88 HG2 GLN 88 11.267 4.115 4.130 761 HE21 GLN 88 HE22 GLN 88 12.500 2.329 4.639 762 HE22 GLN 88 HE21 GLN 88 13.764 2.380 5.819 763 H GLU 89 H GLU 89 11.156 3.838 0.450 764 HA GLU 89 HA GLU 89 9.142 2.379 1.634 765 HB2 GLU 89 HB3 GLU 89 9.878 2.703 -1.270 766 HB3 GLU 89 HB2 GLU 89 8.419 1.869 -0.757 767 HG2 GLU 89 HG3 GLU 89 9.080 4.706 -0.030 768 HG3 GLU 89 HG2 GLU 89 8.087 4.236 -1.410 769 H LEU 90 H LEU 90 11.475 1.156 -0.742 770 HA LEU 90 HA LEU 90 10.586 -1.508 -0.649 771 HB2 LEU 90 HB3 LEU 90 13.280 -0.417 -1.461 772 HB3 LEU 90 HB2 LEU 90 12.693 -2.031 -1.815 773 HG LEU 90 HG LEU 90 11.507 0.546 -2.854 774 HD11 LEU 90 HD11 LEU 90 13.085 -1.615 -4.240 775 HD12 LEU 90 HD12 LEU 90 13.644 0.019 -3.881 776 HD13 LEU 90 HD13 LEU 90 12.324 -0.231 -5.024 777 HD21 LEU 90 HD21 LEU 90 9.805 -1.176 -2.504 778 HD22 LEU 90 HD22 LEU 90 10.763 -2.317 -3.448 779 HD23 LEU 90 HD23 LEU 90 10.083 -0.884 -4.220 780 H LYS 91 H LYS 91 13.079 0.211 1.162 781 HA LYS 91 HA LYS 91 14.259 -2.129 2.279 782 HB2 LYS 91 HB3 LYS 91 15.519 -0.058 2.105 783 HB3 LYS 91 HB2 LYS 91 14.373 0.760 3.157 784 HG2 LYS 91 HG3 LYS 91 15.034 -0.640 5.019 785 HG3 LYS 91 HG2 LYS 91 16.132 -1.546 3.973 786 HD2 LYS 91 HD3 LYS 91 17.462 0.443 3.599 787 HD3 LYS 91 HD2 LYS 91 16.329 1.410 4.546 788 HE2 LYS 91 HE3 LYS 91 16.868 0.130 6.539 789 HE3 LYS 91 HE2 LYS 91 17.942 -0.910 5.603 790 HZ1 LYS 91 HZ1 LYS 91 19.102 0.849 6.865 791 HZ2 LYS 91 HZ2 LYS 91 18.313 2.016 5.920 792 HZ3 LYS 91 HZ3 LYS 91 19.390 0.923 5.194 793 H GLU 92 H GLU 92 11.843 0.187 3.407 794 HA GLU 92 HA GLU 92 11.622 -0.842 6.037 795 HB2 GLU 92 HB3 GLU 92 10.769 1.409 4.941 796 HB3 GLU 92 HB2 GLU 92 9.308 0.472 4.670 797 HG2 GLU 92 HG3 GLU 92 8.942 1.578 6.685 798 HG3 GLU 92 HG2 GLU 92 9.384 -0.063 7.155 799 H PHE 93 H PHE 93 9.986 -1.526 3.002 800 HA PHE 93 HA PHE 93 7.997 -3.225 4.115 801 HB2 PHE 93 HB3 PHE 93 7.766 -2.066 1.930 802 HB3 PHE 93 HB2 PHE 93 9.012 -3.118 1.267 803 HD1 PHE 93 HD1 PHE 93 5.891 -3.564 3.272 804 HD2 PHE 93 HD2 PHE 93 8.207 -4.770 -0.087 805 HE1 PHE 93 HE1 PHE 93 4.162 -5.208 2.679 806 HE2 PHE 93 HE2 PHE 93 6.484 -6.420 -0.687 807 HZ PHE 93 HZ PHE 93 4.457 -6.640 0.697 808 H LYS 94 H LYS 94 11.217 -3.764 2.774 809 HA LYS 94 HA LYS 94 10.962 -6.625 2.808 810 HB2 LYS 94 HB3 LYS 94 12.993 -4.681 1.997 811 HB3 LYS 94 HB2 LYS 94 13.667 -6.133 2.727 812 HG2 LYS 94 HG3 LYS 94 12.484 -7.518 1.122 813 HG3 LYS 94 HG2 LYS 94 11.744 -6.084 0.409 814 HD2 LYS 94 HD3 LYS 94 13.833 -5.298 -0.392 815 HD3 LYS 94 HD2 LYS 94 14.724 -6.475 0.572 816 HE2 LYS 94 HE3 LYS 94 14.612 -7.063 -1.831 817 HE3 LYS 94 HE2 LYS 94 13.906 -8.287 -0.779 818 HZ1 LYS 94 HZ1 LYS 94 12.304 -6.220 -2.189 819 HZ2 LYS 94 HZ2 LYS 94 11.724 -7.590 -1.368 820 HZ3 LYS 94 HZ3 LYS 94 12.594 -7.764 -2.813 821 H ALA 95 H ALA 95 11.348 -4.382 5.221 822 HA ALA 95 HA ALA 95 12.723 -6.295 6.978 823 HB1 ALA 95 HB1 ALA 95 13.645 -4.026 6.956 824 HB2 ALA 95 HB2 ALA 95 12.980 -4.435 8.539 825 HB3 ALA 95 HB3 ALA 95 12.077 -3.383 7.449 826 H GLY 96 H GLY 96 9.767 -5.906 5.932 827 HA2 GLY 96 HA3 GLY 96 7.834 -6.867 6.846 828 HA3 GLY 96 HA2 GLY 96 8.561 -6.763 8.444 829 H PHE 97 H PHE 97 6.952 -4.948 5.907 830 HA PHE 97 HA PHE 97 6.731 -2.581 7.570 831 HB2 PHE 97 HB3 PHE 97 7.082 -2.453 5.091 832 HB3 PHE 97 HB2 PHE 97 5.476 -3.138 4.871 833 HD1 PHE 97 HD1 PHE 97 7.287 -0.240 6.298 834 HD2 PHE 97 HD2 PHE 97 3.586 -1.769 4.862 835 HE1 PHE 97 HE1 PHE 97 6.325 2.024 6.381 836 HE2 PHE 97 HE2 PHE 97 2.616 0.490 4.943 837 HZ PHE 97 HZ PHE 97 3.986 2.391 5.703 838 H LEU 98 H LEU 98 4.815 -1.766 8.410 839 HA LEU 98 HA LEU 98 2.969 -3.718 9.335 840 HB2 LEU 98 HB3 LEU 98 3.696 -1.663 10.581 841 HB3 LEU 98 HB2 LEU 98 2.723 -0.714 9.475 842 HG LEU 98 HG LEU 98 0.707 -1.957 10.254 843 HD11 LEU 98 HD11 LEU 98 2.615 -3.069 12.307 844 HD12 LEU 98 HD12 LEU 98 1.819 -3.985 11.027 845 HD13 LEU 98 HD13 LEU 98 0.862 -3.257 12.317 846 HD21 LEU 98 HD21 LEU 98 2.292 -0.542 12.395 847 HD22 LEU 98 HD22 LEU 98 0.548 -0.801 12.402 848 HD23 LEU 98 HD23 LEU 98 1.282 0.230 11.173 849 H CYS 99 H CYS 99 1.678 -4.631 7.865 850 HA CYS 99 HA CYS 99 -0.009 -2.862 6.220 851 HB2 CYS 99 HB3 CYS 99 1.063 -5.552 5.343 852 HB3 CYS 99 HB2 CYS 99 0.135 -4.415 4.373 853 HG CYS 99 HG CYS 99 3.340 -3.983 5.478 854 HA PRO 100 HA PRO 100 -3.328 -5.273 7.963 855 HB2 PRO 100 HB2 PRO 100 -5.221 -4.870 6.038 856 HB3 PRO 100 HB3 PRO 100 -4.810 -3.666 7.264 857 HG2 PRO 100 HG3 PRO 100 -3.981 -3.828 4.407 858 HG3 PRO 100 HG2 PRO 100 -4.375 -2.405 5.384 859 HD2 PRO 100 HD3 PRO 100 -1.819 -3.182 4.787 860 HD3 PRO 100 HD2 PRO 100 -2.253 -2.252 6.236 861 H ASP 101 H ASP 101 -3.859 -7.389 7.858 862 HA ASP 101 HA ASP 101 -2.742 -9.038 5.853 863 HB2 ASP 101 HB3 ASP 101 -3.064 -9.923 8.079 864 HB3 ASP 101 HB2 ASP 101 -4.805 -9.669 7.970 865 H LEU 102 H LEU 102 -3.443 -8.732 3.825 866 HA LEU 102 HA LEU 102 -6.243 -8.574 3.196 867 HB2 LEU 102 HB3 LEU 102 -3.862 -8.963 1.376 868 HB3 LEU 102 HB2 LEU 102 -5.501 -8.633 0.847 869 HG LEU 102 HG LEU 102 -3.713 -6.767 2.408 870 HD11 LEU 102 HD11 LEU 102 -3.831 -5.390 0.390 871 HD12 LEU 102 HD12 LEU 102 -4.777 -6.645 -0.409 872 HD13 LEU 102 HD13 LEU 102 -3.109 -6.965 0.063 873 HD21 LEU 102 HD21 LEU 102 -6.033 -6.516 3.117 874 HD22 LEU 102 HD22 LEU 102 -6.541 -6.361 1.435 875 HD23 LEU 102 HD23 LEU 102 -5.512 -5.128 2.163 876 H SER 103 H SER 103 -7.123 -10.424 4.015 877 HA SER 103 HA SER 103 -7.325 -12.618 2.297 878 HB2 SER 103 HB3 SER 103 -5.010 -13.052 3.284 879 HB3 SER 103 HB2 SER 103 -5.808 -13.291 4.837 880 HG SER 103 HG SER 103 -6.082 -15.267 4.200 881 H ASP 104 H ASP 104 -7.396 -11.679 5.727 882 HA ASP 104 HA ASP 104 -9.667 -13.250 6.391 883 HB2 ASP 104 HB3 ASP 104 -7.996 -12.353 8.036 884 HB3 ASP 104 HB2 ASP 104 -8.690 -10.753 7.794 885 H ALA 105 H ALA 105 -11.804 -12.808 6.320 886 HA ALA 105 HA ALA 105 -12.636 -10.757 4.515 887 HB1 ALA 105 HB1 ALA 105 -14.338 -12.631 6.151 888 HB2 ALA 105 HB2 ALA 105 -13.681 -12.979 4.551 889 HB3 ALA 105 HB3 ALA 105 -14.860 -11.683 4.757 890 H LYS 106 H LYS 106 -12.922 -11.226 8.017 891 HA LYS 106 HA LYS 106 -14.677 -9.031 8.436 892 HB2 LYS 106 HB3 LYS 106 -12.761 -10.434 10.302 893 HB3 LYS 106 HB2 LYS 106 -13.841 -9.147 10.815 894 HG2 LYS 106 HG3 LYS 106 -15.751 -10.542 10.019 895 HG3 LYS 106 HG2 LYS 106 -14.599 -11.853 9.751 896 HD2 LYS 106 HD3 LYS 106 -13.987 -11.828 12.099 897 HD3 LYS 106 HD2 LYS 106 -15.064 -10.460 12.386 898 HE2 LYS 106 HE3 LYS 106 -15.844 -13.247 11.552 899 HE3 LYS 106 HE2 LYS 106 -16.147 -12.480 13.111 900 HZ1 LYS 106 HZ1 LYS 106 -18.150 -12.256 12.006 901 HZ2 LYS 106 HZ2 LYS 106 -17.421 -11.940 10.504 902 HZ3 LYS 106 HZ3 LYS 106 -17.417 -10.753 11.716 903 H ASN 107 H ASN 107 -11.194 -9.430 8.380 904 HA ASN 107 HA ASN 107 -10.495 -6.817 9.173 905 HB2 ASN 107 HB3 ASN 107 -8.914 -8.774 8.985 906 HB3 ASN 107 HB2 ASN 107 -8.961 -8.565 7.236 907 HD21 ASN 107 HD22 ASN 107 -6.847 -8.015 6.963 908 HD22 ASN 107 HD21 ASN 107 -6.162 -6.550 7.578 909 H MET 108 H MET 108 -11.246 -8.229 6.026 910 HA MET 108 HA MET 108 -10.597 -5.934 4.496 911 HB2 MET 108 HB3 MET 108 -10.693 -8.103 3.437 912 HB3 MET 108 HB2 MET 108 -12.391 -8.279 3.861 913 HG2 MET 108 HG3 MET 108 -12.026 -7.681 1.498 914 HG3 MET 108 HG2 MET 108 -13.012 -6.511 2.373 915 HE1 MET 108 HE1 MET 108 -9.072 -6.972 2.444 916 HE2 MET 108 HE2 MET 108 -8.597 -5.824 1.189 917 HE3 MET 108 HE3 MET 108 -9.523 -7.267 0.765 918 H GLU 109 H GLU 109 -13.685 -7.125 5.829 919 HA GLU 109 HA GLU 109 -15.215 -5.017 4.700 920 HB2 GLU 109 HB3 GLU 109 -16.227 -7.131 5.507 921 HB3 GLU 109 HB2 GLU 109 -15.858 -6.653 7.161 922 HG2 GLU 109 HG3 GLU 109 -17.308 -4.734 6.972 923 HG3 GLU 109 HG2 GLU 109 -17.621 -5.103 5.279 924 H PHE 110 H PHE 110 -13.471 -5.386 7.736 925 HA PHE 110 HA PHE 110 -14.386 -2.948 8.885 926 HB2 PHE 110 HB3 PHE 110 -12.956 -5.078 9.822 927 HB3 PHE 110 HB2 PHE 110 -11.685 -3.874 9.637 928 HD1 PHE 110 HD1 PHE 110 -11.705 -1.830 10.965 929 HD2 PHE 110 HD2 PHE 110 -14.686 -4.825 11.460 930 HE1 PHE 110 HE1 PHE 110 -12.369 -0.810 13.102 931 HE2 PHE 110 HE2 PHE 110 -15.354 -3.814 13.601 932 HZ PHE 110 HZ PHE 110 -14.196 -1.802 14.424 933 H LEU 111 H LEU 111 -11.732 -3.863 6.787 934 HA LEU 111 HA LEU 111 -10.381 -1.392 6.680 935 HB2 LEU 111 HB3 LEU 111 -9.364 -3.423 5.867 936 HB3 LEU 111 HB2 LEU 111 -10.641 -3.650 4.692 937 HG LEU 111 HG LEU 111 -9.118 -1.147 4.385 938 HD11 LEU 111 HD11 LEU 111 -7.322 -2.649 5.070 939 HD12 LEU 111 HD12 LEU 111 -7.204 -2.262 3.353 940 HD13 LEU 111 HD13 LEU 111 -7.840 -3.827 3.863 941 HD21 LEU 111 HD21 LEU 111 -9.220 -1.805 2.038 942 HD22 LEU 111 HD22 LEU 111 -10.814 -1.859 2.789 943 HD23 LEU 111 HD23 LEU 111 -9.923 -3.354 2.502 944 H ARG 112 H ARG 112 -13.180 -2.660 5.020 945 HA ARG 112 HA ARG 112 -13.553 -0.542 3.185 946 HB2 ARG 112 HB3 ARG 112 -14.715 -2.596 2.829 947 HB3 ARG 112 HB2 ARG 112 -15.434 -2.546 4.431 948 HG2 ARG 112 HG3 ARG 112 -16.736 -0.563 3.744 949 HG3 ARG 112 HG2 ARG 112 -16.071 -0.731 2.117 950 HD2 ARG 112 HD3 ARG 112 -17.108 -2.862 1.836 951 HD3 ARG 112 HD2 ARG 112 -17.590 -2.912 3.532 952 HE ARG 112 HE ARG 112 -18.648 -0.776 1.822 953 HH11 ARG 112 HH11 ARG 112 -19.165 -3.726 3.632 954 HH12 ARG 112 HH12 ARG 112 -20.891 -3.566 3.653 955 HH21 ARG 112 HH22 ARG 112 -20.923 -0.571 1.833 956 HH22 ARG 112 HH21 ARG 112 -21.888 -1.778 2.625 957 H ASN 113 H ASN 113 -14.409 -0.985 6.553 958 HA ASN 113 HA ASN 113 -16.058 1.413 6.619 959 HB2 ASN 113 HB3 ASN 113 -15.220 -0.414 8.885 960 HB3 ASN 113 HB2 ASN 113 -16.432 0.856 8.976 961 HD21 ASN 113 HD22 ASN 113 -16.720 -1.935 9.564 962 HD22 ASN 113 HD21 ASN 113 -17.943 -2.554 8.513 963 H TRP 114 H TRP 114 -12.914 1.113 6.370 964 HA TRP 114 HA TRP 114 -11.877 2.418 8.674 965 HB2 TRP 114 HB3 TRP 114 -10.511 0.951 7.243 966 HB3 TRP 114 HB2 TRP 114 -10.661 2.100 5.920 967 HD1 TRP 114 HD1 TRP 114 -9.136 1.914 9.476 968 HE1 TRP 114 HE1 TRP 114 -7.075 3.453 9.532 969 HE3 TRP 114 HE3 TRP 114 -9.499 3.931 4.793 970 HZ2 TRP 114 HZ2 TRP 114 -5.774 5.277 7.822 971 HZ3 TRP 114 HZ3 TRP 114 -7.804 5.566 4.080 972 HH2 TRP 114 HH2 TRP 114 -5.981 6.224 5.565 973 H ASN 115 H ASN 115 -11.676 4.487 9.139 974 HA ASN 115 HA ASN 115 -12.332 6.509 7.105 975 HB2 ASN 115 HB3 ASN 115 -12.592 6.624 10.125 976 HB3 ASN 115 HB2 ASN 115 -12.872 7.988 9.052 977 HD21 ASN 115 HD22 ASN 115 -14.616 6.609 10.947 978 HD22 ASN 115 HD21 ASN 115 -16.008 6.130 10.030 979 H GLY 116 H GLY 116 -11.291 8.735 7.959 980 HA2 GLY 116 HA3 GLY 116 -8.442 8.352 7.966 981 HA3 GLY 116 HA2 GLY 116 -9.288 9.888 8.089 982 H THR 117 H THR 117 -8.764 6.944 10.012 983 HA THR 117 HA THR 117 -8.212 8.645 12.345 984 HB THR 117 HB THR 117 -9.944 6.166 12.452 985 HG1 THR 117 HG1 THR 117 -10.552 8.736 11.786 986 HG21 THR 117 HG21 THR 117 -9.364 8.299 14.514 987 HG22 THR 117 HG22 THR 117 -8.721 6.657 14.523 988 HG23 THR 117 HG23 THR 117 -10.452 6.927 14.725 989 H PHE 118 H PHE 118 -6.324 8.109 13.228 990 HA PHE 118 HA PHE 118 -4.745 5.963 12.310 991 HB2 PHE 118 HB3 PHE 118 -4.425 7.639 14.808 992 HB3 PHE 118 HB2 PHE 118 -3.187 6.597 14.118 993 HD1 PHE 118 HD1 PHE 118 -2.053 7.211 12.056 994 HD2 PHE 118 HD2 PHE 118 -4.969 9.763 13.819 995 HE1 PHE 118 HE1 PHE 118 -1.262 9.075 10.658 996 HE2 PHE 118 HE2 PHE 118 -4.184 11.630 12.420 997 HZ PHE 118 HZ PHE 118 -2.328 11.286 10.839 998 H GLY 119 H GLY 119 -6.880 6.296 15.067 999 HA2 GLY 119 HA3 GLY 119 -5.957 4.090 16.562 1000 HA3 GLY 119 HA2 GLY 119 -7.541 4.833 16.703 1001 H LEU 120 H LEU 120 -7.925 4.236 13.725 1002 HA LEU 120 HA LEU 120 -9.296 1.758 14.157 1003 HB2 LEU 120 HB3 LEU 120 -9.741 3.873 12.547 1004 HB3 LEU 120 HB2 LEU 120 -8.943 2.811 11.406 1005 HG LEU 120 HG LEU 120 -11.346 1.931 13.002 1006 HD11 LEU 120 HD11 LEU 120 -12.723 2.491 11.102 1007 HD12 LEU 120 HD12 LEU 120 -11.319 3.119 10.242 1008 HD13 LEU 120 HD13 LEU 120 -11.902 3.938 11.690 1009 HD21 LEU 120 HD21 LEU 120 -11.580 0.303 11.189 1010 HD22 LEU 120 HD22 LEU 120 -10.022 0.145 12.004 1011 HD23 LEU 120 HD23 LEU 120 -10.121 0.941 10.430 1012 H LEU 121 H LEU 121 -6.165 2.606 13.240 1013 HA LEU 121 HA LEU 121 -5.634 0.320 11.572 1014 HB2 LEU 121 HB3 LEU 121 -3.772 2.291 12.901 1015 HB3 LEU 121 HB2 LEU 121 -3.260 1.037 11.786 1016 HG LEU 121 HG LEU 121 -5.130 3.306 11.097 1017 HD11 LEU 121 HD11 LEU 121 -2.883 4.119 11.500 1018 HD12 LEU 121 HD12 LEU 121 -3.248 4.157 9.775 1019 HD13 LEU 121 HD13 LEU 121 -2.222 2.883 10.432 1020 HD21 LEU 121 HD21 LEU 121 -5.563 1.307 9.780 1021 HD22 LEU 121 HD22 LEU 121 -3.851 1.185 9.374 1022 HD23 LEU 121 HD23 LEU 121 -4.801 2.550 8.788 1023 H ASN 122 H ASN 122 -6.065 0.787 14.840 1024 HA ASN 122 HA ASN 122 -4.354 -1.465 15.596 1025 HB2 ASN 122 HB3 ASN 122 -6.001 0.429 17.294 1026 HB3 ASN 122 HB2 ASN 122 -5.029 -0.895 17.929 1027 HD21 ASN 122 HD22 ASN 122 -4.810 1.946 18.454 1028 HD22 ASN 122 HD21 ASN 122 -3.210 2.405 17.969 1029 H THR 123 H THR 123 -7.611 -0.631 14.898 1030 HA THR 123 HA THR 123 -8.705 -3.026 16.113 1031 HB THR 123 HB THR 123 -10.858 -2.264 15.140 1032 HG1 THR 123 HG1 THR 123 -10.006 -1.163 13.305 1033 HG21 THR 123 HG21 THR 123 -11.096 -0.238 16.502 1034 HG22 THR 123 HG22 THR 123 -9.341 -0.122 16.631 1035 HG23 THR 123 HG23 THR 123 -10.191 -1.485 17.362 1036 H LEU 124 H LEU 124 -7.698 -1.825 12.997 1037 HA LEU 124 HA LEU 124 -8.583 -4.089 11.486 1038 HB2 LEU 124 HB3 LEU 124 -6.480 -1.985 10.968 1039 HB3 LEU 124 HB2 LEU 124 -6.860 -3.258 9.826 1040 HG LEU 124 HG LEU 124 -8.810 -1.161 10.783 1041 HD11 LEU 124 HD11 LEU 124 -8.561 -0.210 8.554 1042 HD12 LEU 124 HD12 LEU 124 -7.339 -1.419 8.164 1043 HD13 LEU 124 HD13 LEU 124 -7.018 -0.213 9.409 1044 HD21 LEU 124 HD21 LEU 124 -9.021 -3.245 8.615 1045 HD22 LEU 124 HD22 LEU 124 -10.219 -2.005 8.978 1046 HD23 LEU 124 HD23 LEU 124 -9.874 -3.268 10.160 1047 H ARG 125 H ARG 125 -7.172 -5.752 10.603 1048 HA ARG 125 HA ARG 125 -5.189 -6.562 12.566 1049 HB2 ARG 125 HB3 ARG 125 -6.844 -8.198 11.662 1050 HB3 ARG 125 HB2 ARG 125 -6.080 -8.041 10.085 1051 HG2 ARG 125 HG3 ARG 125 -4.016 -8.936 10.943 1052 HG3 ARG 125 HG2 ARG 125 -4.675 -8.972 12.578 1053 HD2 ARG 125 HD3 ARG 125 -6.416 -10.554 11.772 1054 HD3 ARG 125 HD2 ARG 125 -5.598 -10.592 10.211 1055 HE ARG 125 HE ARG 125 -3.690 -11.591 11.323 1056 HH11 ARG 125 HH11 ARG 125 -6.702 -11.555 13.104 1057 HH12 ARG 125 HH12 ARG 125 -6.238 -12.854 14.163 1058 HH21 ARG 125 HH22 ARG 125 -3.075 -13.296 12.718 1059 HH22 ARG 125 HH21 ARG 125 -4.186 -13.830 13.949 1060 H LEU 126 H LEU 126 -3.724 -4.853 12.103 1061 HA LEU 126 HA LEU 126 -2.258 -5.086 9.592 1062 HB2 LEU 126 HB3 LEU 126 -2.409 -3.044 11.744 1063 HB3 LEU 126 HB2 LEU 126 -0.886 -3.193 10.892 1064 HG LEU 126 HG LEU 126 -2.129 -2.832 8.746 1065 HD11 LEU 126 HD11 LEU 126 -4.404 -2.121 10.583 1066 HD12 LEU 126 HD12 LEU 126 -4.343 -3.513 9.502 1067 HD13 LEU 126 HD13 LEU 126 -4.361 -1.880 8.836 1068 HD21 LEU 126 HD21 LEU 126 -2.377 -0.423 9.053 1069 HD22 LEU 126 HD22 LEU 126 -0.915 -1.023 9.836 1070 HD23 LEU 126 HD23 LEU 126 -2.339 -0.639 10.804 1071 H ILE 127 H ILE 127 -0.539 -6.268 9.419 1072 HA ILE 127 HA ILE 127 0.976 -6.982 11.843 1073 HB ILE 127 HB ILE 127 1.515 -9.148 10.703 1074 HG12 ILE 127 HG13 ILE 127 -0.718 -8.307 8.836 1075 HG13 ILE 127 HG12 ILE 127 0.981 -8.457 8.402 1076 HG21 ILE 127 HG21 ILE 127 -1.399 -8.638 11.294 1077 HG22 ILE 127 HG22 ILE 127 -0.151 -9.063 12.465 1078 HG23 ILE 127 HG23 ILE 127 -0.631 -10.225 11.229 1079 HD11 ILE 127 HD11 ILE 127 0.892 -10.845 8.812 1080 HD12 ILE 127 HD12 ILE 127 -0.340 -10.363 7.645 1081 HD13 ILE 127 HD13 ILE 127 -0.792 -10.711 9.315 1082 H ARG 128 H ARG 128 3.214 -7.964 10.985 1083 HA ARG 128 HA ARG 128 4.266 -5.925 9.178 1084 HB2 ARG 128 HB3 ARG 128 5.510 -7.694 11.250 1085 HB3 ARG 128 HB2 ARG 128 6.510 -7.016 9.968 1086 HG2 ARG 128 HG3 ARG 128 6.014 -4.798 10.627 1087 HG3 ARG 128 HG2 ARG 128 4.734 -5.334 11.714 1088 HD2 ARG 128 HD3 ARG 128 7.604 -6.136 12.080 1089 HD3 ARG 128 HD2 ARG 128 6.943 -4.656 12.771 1090 HE ARG 128 HE ARG 128 5.234 -6.676 13.550 1091 HH11 ARG 128 HH11 ARG 128 8.628 -5.924 13.945 1092 HH12 ARG 128 HH12 ARG 128 8.746 -6.686 15.503 1093 HH21 ARG 128 HH22 ARG 128 5.384 -7.673 15.609 1094 HH22 ARG 128 HH21 ARG 128 6.914 -7.694 16.439 1095 H ILE 129 H ILE 129 4.435 -6.376 7.152 1096 HA ILE 129 HA ILE 129 4.517 -9.197 6.314 1097 HB ILE 129 HB ILE 129 3.242 -6.771 5.071 1098 HG12 ILE 129 HG13 ILE 129 2.154 -9.458 5.932 1099 HG13 ILE 129 HG12 ILE 129 1.954 -7.938 6.796 1100 HG21 ILE 129 HG21 ILE 129 3.616 -9.474 3.798 1101 HG22 ILE 129 HG22 ILE 129 4.350 -7.958 3.278 1102 HG23 ILE 129 HG23 ILE 129 2.604 -8.175 3.166 1103 HD11 ILE 129 HD11 ILE 129 0.644 -7.053 4.942 1104 HD12 ILE 129 HD12 ILE 129 -0.056 -8.544 5.572 1105 HD13 ILE 129 HD13 ILE 129 0.858 -8.568 4.063 1106 H ASN 130 H ASN 130 6.049 -9.876 4.939 1107 HA ASN 130 HA ASN 130 7.928 -7.864 3.887 1108 HB2 ASN 130 HB3 ASN 130 8.956 -9.235 5.638 1109 HB3 ASN 130 HB2 ASN 130 8.507 -10.701 4.772 1110 HD21 ASN 130 HD22 ASN 130 10.672 -11.343 4.668 1111 HD22 ASN 130 HD21 ASN 130 11.779 -10.602 3.558 1112 H ASP 131 H ASP 131 8.060 -7.734 1.803 1113 HA ASP 131 HA ASP 131 7.902 -8.098 -0.409 1114 HB2 ASP 131 HB3 ASP 131 8.806 -10.797 0.538 1115 HB3 ASP 131 HB2 ASP 131 8.528 -10.480 -1.169 1116 H LYS 132 H LYS 132 6.901 -11.412 -0.079 1117 HA LYS 132 HA LYS 132 4.709 -10.761 -1.867 1118 HB2 LYS 132 HB3 LYS 132 4.597 -13.198 -2.217 1119 HB3 LYS 132 HB2 LYS 132 6.225 -12.577 -2.450 1120 HG2 LYS 132 HG3 LYS 132 6.823 -13.342 -0.191 1121 HG3 LYS 132 HG2 LYS 132 5.201 -14.010 -0.006 1122 HD2 LYS 132 HD3 LYS 132 5.631 -15.432 -2.005 1123 HD3 LYS 132 HD2 LYS 132 7.294 -14.844 -2.008 1124 HE2 LYS 132 HE3 LYS 132 5.955 -16.328 0.251 1125 HE3 LYS 132 HE2 LYS 132 7.087 -17.026 -0.906 1126 HZ1 LYS 132 HZ1 LYS 132 7.719 -14.828 0.993 1127 HZ2 LYS 132 HZ2 LYS 132 8.804 -15.551 -0.090 1128 HZ3 LYS 132 HZ3 LYS 132 8.156 -16.452 1.191 1129 H GLY 133 H GLY 133 4.195 -9.891 0.757 1130 HA2 GLY 133 HA3 GLY 133 2.382 -9.890 2.193 1131 HA3 GLY 133 HA2 GLY 133 1.666 -11.151 1.197 1132 H GLU 134 H GLU 134 4.830 -11.436 2.597 1133 HA GLU 134 HA GLU 134 4.006 -13.841 4.001 1134 HB2 GLU 134 HB3 GLU 134 6.149 -13.615 2.644 1135 HB3 GLU 134 HB2 GLU 134 6.749 -12.574 3.924 1136 HG2 GLU 134 HG3 GLU 134 7.643 -14.683 4.370 1137 HG3 GLU 134 HG2 GLU 134 6.306 -14.500 5.505 1138 H GLN 135 H GLN 135 3.490 -13.853 6.123 1139 HA GLN 135 HA GLN 135 3.693 -11.449 7.662 1140 HB2 GLN 135 HB3 GLN 135 1.812 -13.023 7.982 1141 HB3 GLN 135 HB2 GLN 135 2.944 -14.229 8.583 1142 HG2 GLN 135 HG3 GLN 135 3.542 -12.730 10.431 1143 HG3 GLN 135 HG2 GLN 135 2.376 -11.552 9.837 1144 HE21 GLN 135 HE22 GLN 135 2.512 -12.883 12.400 1145 HE22 GLN 135 HE21 GLN 135 1.003 -13.707 12.605 1146 H VAL 136 H VAL 136 5.410 -10.785 8.727 1147 HA VAL 136 HA VAL 136 7.664 -12.556 9.094 1148 HB VAL 136 HB VAL 136 7.382 -9.698 10.035 1149 HG11 VAL 136 HG11 VAL 136 9.216 -10.928 11.063 1150 HG12 VAL 136 HG12 VAL 136 9.826 -9.691 9.963 1151 HG13 VAL 136 HG13 VAL 136 9.817 -11.384 9.468 1152 HG21 VAL 136 HG21 VAL 136 6.958 -9.781 7.646 1153 HG22 VAL 136 HG22 VAL 136 8.426 -10.727 7.399 1154 HG23 VAL 136 HG23 VAL 136 8.536 -9.059 7.960 1155 H VAL 137 H VAL 137 7.140 -14.043 10.630 1156 HA VAL 137 HA VAL 137 5.874 -13.486 13.077 1157 HB VAL 137 HB VAL 137 6.860 -15.648 13.869 1158 HG11 VAL 137 HG11 VAL 137 5.531 -15.693 11.162 1159 HG12 VAL 137 HG12 VAL 137 4.717 -15.589 12.724 1160 HG13 VAL 137 HG13 VAL 137 5.610 -17.046 12.289 1161 HG21 VAL 137 HG21 VAL 137 8.090 -15.715 11.112 1162 HG22 VAL 137 HG22 VAL 137 8.064 -17.052 12.262 1163 HG23 VAL 137 HG23 VAL 137 8.969 -15.583 12.635 1164 H GLY 138 H GLY 138 6.588 -12.695 14.952 1165 HA2 GLY 138 HA3 GLY 138 8.089 -11.927 16.553 1166 HA3 GLY 138 HA2 GLY 138 9.413 -12.536 15.570 1167 H GLY 139 H GLY 139 10.033 -11.286 13.681 1168 HA2 GLY 139 HA3 GLY 139 10.310 -9.351 12.436 1169 HA3 GLY 139 HA2 GLY 139 8.985 -8.623 13.335 1170 H ASN 140 H ASN 140 10.964 -9.828 15.599 1171 HA ASN 140 HA ASN 140 13.113 -7.999 15.709 1172 HB2 ASN 140 HB3 ASN 140 12.302 -6.649 17.652 1173 HB3 ASN 140 HB2 ASN 140 11.435 -6.304 16.161 1174 HD21 ASN 140 HD22 ASN 140 11.247 -7.963 19.253 1175 HD22 ASN 140 HD21 ASN 140 9.520 -8.030 19.319 1176 H GLU 141 H GLU 141 14.044 -8.001 18.009 1177 HA GLU 141 HA GLU 141 13.528 -10.616 19.243 1178 HB2 GLU 141 HB3 GLU 141 15.999 -8.878 19.371 1179 HB3 GLU 141 HB2 GLU 141 15.794 -10.404 20.217 1180 HG2 GLU 141 HG3 GLU 141 15.622 -11.576 18.094 1181 HG3 GLU 141 HG2 GLU 141 15.786 -10.047 17.230 Start of MODEL 17 1 H MET 1 H MET 1 -6.290 32.014 32.152 2 HA MET 1 HA MET 1 -6.029 30.036 30.842 3 HB2 MET 1 HB3 MET 1 -6.845 31.834 28.543 4 HB3 MET 1 HB2 MET 1 -6.205 30.206 28.373 5 HG2 MET 1 HG3 MET 1 -8.138 29.318 29.569 6 HG3 MET 1 HG2 MET 1 -8.779 30.951 29.740 7 HE1 MET 1 HE1 MET 1 -7.869 28.067 27.226 8 HE2 MET 1 HE2 MET 1 -6.908 29.422 26.633 9 HE3 MET 1 HE3 MET 1 -8.259 28.814 25.678 10 H ARG 2 H ARG 2 -3.972 29.609 30.017 11 HA ARG 2 HA ARG 2 -2.286 31.922 29.356 12 HB2 ARG 2 HB3 ARG 2 -1.504 29.794 31.353 13 HB3 ARG 2 HB2 ARG 2 -0.463 31.078 30.767 14 HG2 ARG 2 HG3 ARG 2 -2.025 32.723 31.794 15 HG3 ARG 2 HG2 ARG 2 -2.908 31.363 32.496 16 HD2 ARG 2 HD3 ARG 2 -0.045 32.158 33.000 17 HD3 ARG 2 HD2 ARG 2 -1.381 32.166 34.151 18 HE ARG 2 HE ARG 2 -1.317 29.780 34.192 19 HH11 ARG 2 HH11 ARG 2 1.349 31.295 32.488 20 HH12 ARG 2 HH12 ARG 2 2.330 29.863 32.490 21 HH21 ARG 2 HH22 ARG 2 -0.036 27.882 34.167 22 HH22 ARG 2 HH21 ARG 2 1.535 27.919 33.423 23 H GLU 3 H GLU 3 -3.068 28.579 29.096 24 HA GLU 3 HA GLU 3 -0.621 27.956 27.631 25 HB2 GLU 3 HB3 GLU 3 -2.871 26.158 28.561 26 HB3 GLU 3 HB2 GLU 3 -1.361 25.623 27.831 27 HG2 GLU 3 HG3 GLU 3 -0.100 26.437 29.702 28 HG3 GLU 3 HG2 GLU 3 -1.537 27.173 30.405 29 H ASP 4 H ASP 4 -0.581 27.367 25.507 30 HA ASP 4 HA ASP 4 -2.888 28.234 23.954 31 HB2 ASP 4 HB3 ASP 4 -1.426 28.358 22.081 32 HB3 ASP 4 HB2 ASP 4 -0.523 28.989 23.452 33 H LYS 5 H LYS 5 -2.414 25.508 25.401 34 HA LYS 5 HA LYS 5 -2.559 23.626 23.236 35 HB2 LYS 5 HB3 LYS 5 -2.801 23.345 26.222 36 HB3 LYS 5 HB2 LYS 5 -3.074 21.992 25.129 37 HG2 LYS 5 HG3 LYS 5 -0.790 22.376 24.206 38 HG3 LYS 5 HG2 LYS 5 -0.540 23.571 25.481 39 HD2 LYS 5 HD3 LYS 5 -0.656 21.952 27.173 40 HD3 LYS 5 HD2 LYS 5 -1.391 20.759 26.098 41 HE2 LYS 5 HE3 LYS 5 1.435 21.805 25.939 42 HE3 LYS 5 HE2 LYS 5 0.944 20.214 26.523 43 HZ1 LYS 5 HZ1 LYS 5 0.694 21.269 23.755 44 HZ2 LYS 5 HZ2 LYS 5 -0.024 19.823 24.278 45 HZ3 LYS 5 HZ3 LYS 5 1.662 19.982 24.282 46 H ILE 6 H ILE 6 -4.314 24.029 22.028 47 HA ILE 6 HA ILE 6 -6.947 24.052 23.272 48 HB ILE 6 HB ILE 6 -6.499 25.710 21.527 49 HG12 ILE 6 HG13 ILE 6 -8.484 23.622 20.602 50 HG13 ILE 6 HG12 ILE 6 -8.795 24.852 21.824 51 HG21 ILE 6 HG21 ILE 6 -6.105 23.346 19.701 52 HG22 ILE 6 HG22 ILE 6 -4.867 24.491 20.217 53 HG23 ILE 6 HG23 ILE 6 -6.193 25.031 19.188 54 HD11 ILE 6 HD11 ILE 6 -8.475 26.595 20.150 55 HD12 ILE 6 HD12 ILE 6 -9.750 25.470 19.682 56 HD13 ILE 6 HD13 ILE 6 -8.158 25.363 18.929 57 H ALA 7 H ALA 7 -8.486 22.471 22.933 58 HA ALA 7 HA ALA 7 -7.453 19.867 22.176 59 HB1 ALA 7 HB1 ALA 7 -8.813 20.108 24.192 60 HB2 ALA 7 HB2 ALA 7 -9.563 19.010 23.034 61 HB3 ALA 7 HB3 ALA 7 -10.172 20.656 23.209 62 H ALA 8 H ALA 8 -9.388 22.358 20.808 63 HA ALA 8 HA ALA 8 -10.716 20.694 18.877 64 HB1 ALA 8 HB1 ALA 8 -11.506 22.795 17.917 65 HB2 ALA 8 HB2 ALA 8 -10.415 23.695 18.971 66 HB3 ALA 8 HB3 ALA 8 -11.746 22.767 19.664 67 H LYS 9 H LYS 9 -10.291 20.603 16.654 68 HA LYS 9 HA LYS 9 -7.452 20.819 16.055 69 HB2 LYS 9 HB3 LYS 9 -9.697 19.652 14.399 70 HB3 LYS 9 HB2 LYS 9 -7.976 19.485 14.079 71 HG2 LYS 9 HG3 LYS 9 -7.708 18.228 16.155 72 HG3 LYS 9 HG2 LYS 9 -9.433 18.405 16.484 73 HD2 LYS 9 HD3 LYS 9 -9.906 17.216 14.358 74 HD3 LYS 9 HD2 LYS 9 -8.173 16.948 14.163 75 HE2 LYS 9 HE3 LYS 9 -8.130 15.706 16.272 76 HE3 LYS 9 HE2 LYS 9 -9.860 15.978 16.469 77 HZ1 LYS 9 HZ1 LYS 9 -8.507 14.344 14.399 78 HZ2 LYS 9 HZ2 LYS 9 -10.135 14.800 14.288 79 HZ3 LYS 9 HZ3 LYS 9 -9.615 13.830 15.573 80 H LYS 10 H LYS 10 -6.788 21.640 13.898 81 HA LYS 10 HA LYS 10 -8.340 24.049 13.262 82 HB2 LYS 10 HB3 LYS 10 -5.411 23.447 12.846 83 HB3 LYS 10 HB2 LYS 10 -6.212 24.918 12.302 84 HG2 LYS 10 HG3 LYS 10 -6.889 25.316 14.678 85 HG3 LYS 10 HG2 LYS 10 -5.845 23.972 15.130 86 HD2 LYS 10 HD3 LYS 10 -3.908 25.127 14.322 87 HD3 LYS 10 HD2 LYS 10 -4.907 26.410 13.630 88 HE2 LYS 10 HE3 LYS 10 -4.665 25.740 16.562 89 HE3 LYS 10 HE2 LYS 10 -3.910 27.111 15.750 90 HZ1 LYS 10 HZ1 LYS 10 -6.021 27.627 16.956 91 HZ2 LYS 10 HZ2 LYS 10 -6.848 26.675 15.820 92 HZ3 LYS 10 HZ3 LYS 10 -6.019 28.069 15.318 93 H LYS 11 H LYS 11 -7.845 24.802 10.893 94 HA LYS 11 HA LYS 11 -9.103 22.676 9.349 95 HB2 LYS 11 HB3 LYS 11 -8.719 25.540 8.495 96 HB3 LYS 11 HB2 LYS 11 -9.942 24.395 7.952 97 HG2 LYS 11 HG3 LYS 11 -10.992 24.444 10.143 98 HG3 LYS 11 HG2 LYS 11 -9.746 25.544 10.730 99 HD2 LYS 11 HD3 LYS 11 -10.507 27.070 8.792 100 HD3 LYS 11 HD2 LYS 11 -11.953 26.056 8.771 101 HE2 LYS 11 HE3 LYS 11 -10.898 27.694 11.072 102 HE3 LYS 11 HE2 LYS 11 -12.379 27.971 10.158 103 HZ1 LYS 11 HZ1 LYS 11 -13.242 25.870 11.016 104 HZ2 LYS 11 HZ2 LYS 11 -12.855 26.939 12.276 105 HZ3 LYS 11 HZ3 LYS 11 -11.826 25.639 11.921 106 H LEU 12 H LEU 12 -6.026 23.667 9.815 107 HA LEU 12 HA LEU 12 -5.229 22.854 7.099 108 HB2 LEU 12 HB3 LEU 12 -4.464 25.112 7.697 109 HB3 LEU 12 HB2 LEU 12 -3.680 24.473 9.129 110 HG LEU 12 HG LEU 12 -2.173 23.141 7.664 111 HD11 LEU 12 HD11 LEU 12 -2.056 23.688 5.286 112 HD12 LEU 12 HD12 LEU 12 -3.474 24.723 5.452 113 HD13 LEU 12 HD13 LEU 12 -3.618 22.984 5.708 114 HD21 LEU 12 HD21 LEU 12 -0.817 25.045 6.926 115 HD22 LEU 12 HD22 LEU 12 -1.456 25.288 8.552 116 HD23 LEU 12 HD23 LEU 12 -2.193 26.118 7.181 117 H HIS 13 H HIS 13 -4.349 20.896 6.952 118 HA HIS 13 HA HIS 13 -3.515 19.587 9.442 119 HB2 HIS 13 HB3 HIS 13 -4.291 18.387 6.774 120 HB3 HIS 13 HB2 HIS 13 -3.754 17.460 8.171 121 HD1 HIS 13 HD1 HIS 13 -6.643 17.435 6.675 122 HD2 HIS 13 HD2 HIS 13 -5.688 19.091 10.374 123 HE1 HIS 13 HE1 HIS 13 -8.808 17.560 7.947 124 HE2 HIS 13 HE2 HIS 13 -8.238 18.745 10.097 125 H GLN 14 H GLN 14 -1.530 18.689 9.676 126 HA GLN 14 HA GLN 14 0.368 18.982 7.443 127 HB2 GLN 14 HB3 GLN 14 0.920 19.623 10.351 128 HB3 GLN 14 HB2 GLN 14 2.113 19.638 9.061 129 HG2 GLN 14 HG3 GLN 14 0.875 21.451 7.961 130 HG3 GLN 14 HG2 GLN 14 -0.277 21.454 9.296 131 HE21 GLN 14 HE22 GLN 14 1.475 23.580 8.355 132 HE22 GLN 14 HE21 GLN 14 2.460 24.031 9.704 133 H ASP 15 H ASP 15 2.343 17.614 7.802 134 HA ASP 15 HA ASP 15 3.312 15.580 8.103 135 HB2 ASP 15 HB3 ASP 15 1.802 15.748 10.719 136 HB3 ASP 15 HB2 ASP 15 3.000 14.511 10.353 137 H LYS 16 H LYS 16 1.220 15.440 6.432 138 HA LYS 16 HA LYS 16 -0.156 12.954 7.203 139 HB2 LYS 16 HB3 LYS 16 -1.569 15.051 6.908 140 HB3 LYS 16 HB2 LYS 16 -1.157 14.978 5.202 141 HG2 LYS 16 HG3 LYS 16 -2.275 12.881 4.952 142 HG3 LYS 16 HG2 LYS 16 -2.530 12.757 6.696 143 HD2 LYS 16 HD3 LYS 16 -3.909 14.798 6.612 144 HD3 LYS 16 HD2 LYS 16 -3.698 14.848 4.861 145 HE2 LYS 16 HE3 LYS 16 -5.009 12.626 6.421 146 HE3 LYS 16 HE2 LYS 16 -5.849 13.868 5.495 147 HZ1 LYS 16 HZ1 LYS 16 -4.244 11.600 4.520 148 HZ2 LYS 16 HZ2 LYS 16 -4.425 12.985 3.555 149 HZ3 LYS 16 HZ3 LYS 16 -5.785 12.108 4.044 150 H ARG 17 H ARG 17 0.661 11.270 6.152 151 HA ARG 17 HA ARG 17 2.162 11.736 3.681 152 HB2 ARG 17 HB3 ARG 17 2.099 9.362 5.545 153 HB3 ARG 17 HB2 ARG 17 3.099 9.483 4.107 154 HG2 ARG 17 HG3 ARG 17 4.358 11.281 5.058 155 HG3 ARG 17 HG2 ARG 17 3.271 11.361 6.448 156 HD2 ARG 17 HD3 ARG 17 3.927 9.115 7.109 157 HD3 ARG 17 HD2 ARG 17 4.976 8.991 5.699 158 HE ARG 17 HE ARG 17 5.859 11.211 7.020 159 HH11 ARG 17 HH11 ARG 17 5.313 7.869 7.938 160 HH12 ARG 17 HH12 ARG 17 6.654 7.836 9.052 161 HH21 ARG 17 HH22 ARG 17 7.606 11.174 8.472 162 HH22 ARG 17 HH21 ARG 17 7.952 9.720 9.365 163 H VAL 18 H VAL 18 1.207 11.299 1.792 164 HA VAL 18 HA VAL 18 -0.948 9.374 1.629 165 HB VAL 18 HB VAL 18 -0.985 9.838 -0.769 166 HG11 VAL 18 HG11 VAL 18 -0.765 12.348 0.890 167 HG12 VAL 18 HG12 VAL 18 -2.199 11.335 0.718 168 HG13 VAL 18 HG13 VAL 18 -1.567 12.213 -0.675 169 HG21 VAL 18 HG21 VAL 18 1.393 10.084 -1.175 170 HG22 VAL 18 HG22 VAL 18 1.418 11.578 -0.237 171 HG23 VAL 18 HG23 VAL 18 0.522 11.505 -1.754 172 H HIS 19 H HIS 19 2.463 9.392 1.368 173 HA HIS 19 HA HIS 19 2.781 7.029 -0.206 174 HB2 HIS 19 HB3 HIS 19 4.498 8.921 0.530 175 HB3 HIS 19 HB2 HIS 19 4.787 7.818 1.867 176 HD1 HIS 19 HD1 HIS 19 5.469 5.243 0.996 177 HD2 HIS 19 HD2 HIS 19 5.990 8.424 -1.634 178 HE1 HIS 19 HE1 HIS 19 7.127 4.446 -0.717 179 HE2 HIS 19 HE2 HIS 19 7.537 6.438 -2.213 180 H GLU 20 H GLU 20 1.415 7.475 2.754 181 HA GLU 20 HA GLU 20 2.366 4.901 3.804 182 HB2 GLU 20 HB3 GLU 20 2.926 7.049 5.071 183 HB3 GLU 20 HB2 GLU 20 1.215 7.145 5.453 184 HG2 GLU 20 HG3 GLU 20 1.313 5.073 6.657 185 HG3 GLU 20 HG2 GLU 20 2.982 4.814 6.154 186 H LEU 21 H LEU 21 -0.479 7.033 4.352 187 HA LEU 21 HA LEU 21 -2.029 4.628 4.869 188 HB2 LEU 21 HB3 LEU 21 -2.795 7.528 5.192 189 HB3 LEU 21 HB2 LEU 21 -3.795 6.167 5.658 190 HG LEU 21 HG LEU 21 -2.882 6.809 7.670 191 HD11 LEU 21 HD11 LEU 21 -0.922 4.783 6.615 192 HD12 LEU 21 HD12 LEU 21 -2.496 4.443 7.336 193 HD13 LEU 21 HD13 LEU 21 -1.212 5.150 8.316 194 HD21 LEU 21 HD21 LEU 21 -1.375 8.513 6.827 195 HD22 LEU 21 HD22 LEU 21 -0.239 7.270 6.299 196 HD23 LEU 21 HD23 LEU 21 -0.561 7.498 8.018 197 H ALA 22 H ALA 22 -1.573 6.696 2.192 198 HA ALA 22 HA ALA 22 -4.225 6.717 1.196 199 HB1 ALA 22 HB1 ALA 22 -3.286 7.430 -0.917 200 HB2 ALA 22 HB2 ALA 22 -1.670 6.979 -0.374 201 HB3 ALA 22 HB3 ALA 22 -2.531 8.299 0.419 202 H ARG 23 H ARG 23 -1.735 4.299 1.138 203 HA ARG 23 HA ARG 23 -2.793 2.761 -0.999 204 HB2 ARG 23 HB3 ARG 23 -0.852 2.268 1.189 205 HB3 ARG 23 HB2 ARG 23 -1.594 0.859 0.442 206 HG2 ARG 23 HG3 ARG 23 -0.843 1.661 -1.759 207 HG3 ARG 23 HG2 ARG 23 -0.040 3.017 -0.964 208 HD2 ARG 23 HD3 ARG 23 0.544 0.109 -0.428 209 HD3 ARG 23 HD2 ARG 23 1.490 1.148 -1.494 210 HE ARG 23 HE ARG 23 1.165 1.724 1.377 211 HH11 ARG 23 HH11 ARG 23 3.155 1.292 -1.459 212 HH12 ARG 23 HH12 ARG 23 4.615 1.856 -0.695 213 HH21 ARG 23 HH22 ARG 23 3.074 2.469 2.400 214 HH22 ARG 23 HH21 ARG 23 4.562 2.535 1.498 215 H VAL 24 H VAL 24 -3.492 2.941 2.431 216 HA VAL 24 HA VAL 24 -5.195 0.673 2.525 217 HB VAL 24 HB VAL 24 -5.082 3.134 4.283 218 HG11 VAL 24 HG11 VAL 24 -7.325 2.174 4.389 219 HG12 VAL 24 HG12 VAL 24 -6.445 1.880 5.890 220 HG13 VAL 24 HG13 VAL 24 -6.638 0.582 4.712 221 HG21 VAL 24 HG21 VAL 24 -4.113 0.310 4.698 222 HG22 VAL 24 HG22 VAL 24 -4.004 1.621 5.874 223 HG23 VAL 24 HG23 VAL 24 -3.100 1.715 4.362 224 H LYS 25 H LYS 25 -5.702 4.111 1.877 225 HA LYS 25 HA LYS 25 -8.524 3.873 1.578 226 HB2 LYS 25 HB3 LYS 25 -7.216 6.018 2.016 227 HB3 LYS 25 HB2 LYS 25 -6.824 6.008 0.300 228 HG2 LYS 25 HG3 LYS 25 -9.208 6.055 -0.243 229 HG3 LYS 25 HG2 LYS 25 -9.596 6.080 1.476 230 HD2 LYS 25 HD3 LYS 25 -8.324 8.200 1.678 231 HD3 LYS 25 HD2 LYS 25 -8.096 8.186 -0.072 232 HE2 LYS 25 HE3 LYS 25 -10.717 8.328 1.412 233 HE3 LYS 25 HE2 LYS 25 -9.953 9.624 0.494 234 HZ1 LYS 25 HZ1 LYS 25 -10.135 8.065 -1.479 235 HZ2 LYS 25 HZ2 LYS 25 -11.585 8.736 -0.906 236 HZ3 LYS 25 HZ3 LYS 25 -11.188 7.140 -0.527 237 H PHE 26 H PHE 26 -5.782 3.578 -0.620 238 HA PHE 26 HA PHE 26 -7.263 3.380 -3.012 239 HB2 PHE 26 HB3 PHE 26 -4.841 3.642 -3.091 240 HB3 PHE 26 HB2 PHE 26 -4.617 2.102 -2.266 241 HD1 PHE 26 HD1 PHE 26 -5.829 3.652 -5.403 242 HD2 PHE 26 HD2 PHE 26 -4.569 0.079 -3.464 243 HE1 PHE 26 HE1 PHE 26 -5.789 2.492 -7.572 244 HE2 PHE 26 HE2 PHE 26 -4.525 -1.087 -5.630 245 HZ PHE 26 HZ PHE 26 -5.146 0.113 -7.689 246 H MET 27 H MET 27 -6.117 0.897 -0.741 247 HA MET 27 HA MET 27 -7.344 -1.324 -1.904 248 HB2 MET 27 HB3 MET 27 -6.784 -0.673 0.991 249 HB3 MET 27 HB2 MET 27 -7.403 -2.231 0.461 250 HG2 MET 27 HG3 MET 27 -5.418 -2.611 -0.862 251 HG3 MET 27 HG2 MET 27 -4.807 -1.011 -0.447 252 HE1 MET 27 HE1 MET 27 -3.232 -3.848 -0.061 253 HE2 MET 27 HE2 MET 27 -2.445 -3.532 1.485 254 HE3 MET 27 HE3 MET 27 -2.515 -2.267 0.256 255 H GLN 28 H GLN 28 -8.584 0.911 0.562 256 HA GLN 28 HA GLN 28 -11.137 -0.078 0.890 257 HB2 GLN 28 HB3 GLN 28 -10.223 1.783 2.196 258 HB3 GLN 28 HB2 GLN 28 -10.268 2.817 0.774 259 HG2 GLN 28 HG3 GLN 28 -12.776 2.366 0.740 260 HG3 GLN 28 HG2 GLN 28 -12.557 1.730 2.370 261 HE21 GLN 28 HE22 GLN 28 -14.072 4.032 1.489 262 HE22 GLN 28 HE21 GLN 28 -13.424 5.398 2.328 263 H ASP 29 H ASP 29 -10.108 2.418 -1.411 264 HA ASP 29 HA ASP 29 -12.551 2.847 -2.666 265 HB2 ASP 29 HB3 ASP 29 -10.565 4.304 -2.898 266 HB3 ASP 29 HB2 ASP 29 -9.781 3.068 -3.872 267 H VAL 30 H VAL 30 -9.892 0.722 -3.698 268 HA VAL 30 HA VAL 30 -11.217 -0.129 -6.057 269 HB VAL 30 HB VAL 30 -8.830 -1.284 -4.616 270 HG11 VAL 30 HG11 VAL 30 -8.319 -2.440 -6.709 271 HG12 VAL 30 HG12 VAL 30 -9.842 -1.874 -7.394 272 HG13 VAL 30 HG13 VAL 30 -9.850 -2.988 -6.027 273 HG21 VAL 30 HG21 VAL 30 -8.515 0.995 -5.409 274 HG22 VAL 30 HG22 VAL 30 -9.051 0.521 -7.021 275 HG23 VAL 30 HG23 VAL 30 -7.552 -0.137 -6.361 276 H VAL 31 H VAL 31 -11.031 -1.478 -2.802 277 HA VAL 31 HA VAL 31 -12.254 -3.975 -3.591 278 HB VAL 31 HB VAL 31 -11.752 -2.841 -0.829 279 HG11 VAL 31 HG11 VAL 31 -12.589 -5.607 -1.684 280 HG12 VAL 31 HG12 VAL 31 -13.528 -4.464 -0.724 281 HG13 VAL 31 HG13 VAL 31 -12.056 -5.172 -0.060 282 HG21 VAL 31 HG21 VAL 31 -9.696 -3.247 -2.085 283 HG22 VAL 31 HG22 VAL 31 -10.213 -4.902 -2.408 284 HG23 VAL 31 HG23 VAL 31 -9.867 -4.392 -0.754 285 H ASN 32 H ASN 32 -13.314 -0.876 -2.426 286 HA ASN 32 HA ASN 32 -15.950 -1.828 -1.704 287 HB2 ASN 32 HB3 ASN 32 -14.828 0.033 -0.479 288 HB3 ASN 32 HB2 ASN 32 -14.940 1.015 -1.934 289 HD21 ASN 32 HD22 ASN 32 -16.165 2.552 -0.870 290 HD22 ASN 32 HD21 ASN 32 -17.830 2.294 -0.475 291 H SER 33 H SER 33 -14.374 -0.295 -4.419 292 HA SER 33 HA SER 33 -16.898 -0.004 -5.828 293 HB2 SER 33 HB3 SER 33 -15.488 0.848 -7.697 294 HB3 SER 33 HB2 SER 33 -15.235 1.740 -6.198 295 HG SER 33 HG SER 33 -13.302 0.749 -5.913 296 H ASP 34 H ASP 34 -17.173 -1.045 -7.955 297 HA ASP 34 HA ASP 34 -16.891 -3.838 -7.626 298 HB2 ASP 34 HB3 ASP 34 -17.884 -2.167 -9.926 299 HB3 ASP 34 HB2 ASP 34 -17.844 -3.927 -9.988 300 H THR 35 H THR 35 -14.542 -1.760 -8.528 301 HA THR 35 HA THR 35 -13.245 -2.899 -10.699 302 HB THR 35 HB THR 35 -11.967 -1.723 -8.219 303 HG1 THR 35 HG1 THR 35 -13.140 -0.592 -10.543 304 HG21 THR 35 HG21 THR 35 -10.100 -1.154 -9.694 305 HG22 THR 35 HG22 THR 35 -10.919 -1.936 -11.049 306 HG23 THR 35 HG23 THR 35 -10.367 -2.897 -9.677 307 H PHE 36 H PHE 36 -12.734 -3.641 -7.226 308 HA PHE 36 HA PHE 36 -12.022 -6.370 -8.063 309 HB2 PHE 36 HB3 PHE 36 -10.562 -4.530 -6.244 310 HB3 PHE 36 HB2 PHE 36 -10.625 -6.229 -5.789 311 HD1 PHE 36 HD2 PHE 36 -9.522 -3.874 -8.408 312 HD2 PHE 36 HD1 PHE 36 -9.350 -7.858 -6.928 313 HE1 PHE 36 HE2 PHE 36 -7.670 -4.363 -9.951 314 HE2 PHE 36 HE1 PHE 36 -7.499 -8.354 -8.468 315 HZ PHE 36 HZ PHE 36 -6.656 -6.606 -9.984 316 H LYS 37 H LYS 37 -14.366 -4.713 -6.764 317 HA LYS 37 HA LYS 37 -14.942 -5.991 -4.306 318 HB2 LYS 37 HB3 LYS 37 -15.980 -3.873 -5.170 319 HB3 LYS 37 HB2 LYS 37 -16.915 -4.852 -6.289 320 HG2 LYS 37 HG3 LYS 37 -18.013 -5.963 -4.433 321 HG3 LYS 37 HG2 LYS 37 -17.039 -5.037 -3.288 322 HD2 LYS 37 HD3 LYS 37 -18.010 -2.962 -4.124 323 HD3 LYS 37 HD2 LYS 37 -18.965 -3.872 -5.296 324 HE2 LYS 37 HE3 LYS 37 -19.164 -4.077 -2.296 325 HE3 LYS 37 HE2 LYS 37 -20.301 -3.250 -3.358 326 HZ1 LYS 37 HZ1 LYS 37 -20.677 -5.429 -4.462 327 HZ2 LYS 37 HZ2 LYS 37 -21.181 -5.381 -2.840 328 HZ3 LYS 37 HZ3 LYS 37 -19.736 -6.162 -3.255 329 H GLY 38 H GLY 38 -14.985 -7.112 -7.508 330 HA2 GLY 38 HA3 GLY 38 -17.069 -9.026 -7.364 331 HA3 GLY 38 HA2 GLY 38 -15.710 -9.059 -8.480 332 H GLN 39 H GLN 39 -13.940 -8.906 -5.987 333 HA GLN 39 HA GLN 39 -13.966 -11.783 -5.414 334 HB2 GLN 39 HB3 GLN 39 -11.800 -9.746 -4.845 335 HB3 GLN 39 HB2 GLN 39 -11.668 -11.487 -4.655 336 HG2 GLN 39 HG3 GLN 39 -12.107 -10.073 -7.274 337 HG3 GLN 39 HG2 GLN 39 -10.545 -10.621 -6.672 338 HE21 GLN 39 HE22 GLN 39 -10.213 -11.987 -8.401 339 HE22 GLN 39 HE21 GLN 39 -11.107 -13.457 -8.617 340 HA PRO 40 HA PRO 40 -15.707 -10.858 -1.430 341 HB2 PRO 40 HB2 PRO 40 -14.937 -13.181 -0.170 342 HB3 PRO 40 HB3 PRO 40 -16.361 -13.035 -1.206 343 HG2 PRO 40 HG3 PRO 40 -13.653 -14.117 -1.849 344 HG3 PRO 40 HG2 PRO 40 -15.246 -14.708 -2.353 345 HD2 PRO 40 HD3 PRO 40 -13.657 -13.282 -4.000 346 HD3 PRO 40 HD2 PRO 40 -15.426 -13.150 -4.049 347 H ILE 41 H ILE 41 -12.765 -12.772 -0.947 348 HA ILE 41 HA ILE 41 -11.601 -10.544 0.577 349 HB ILE 41 HB ILE 41 -11.443 -13.491 1.263 350 HG12 ILE 41 HG13 ILE 41 -13.589 -12.547 1.886 351 HG13 ILE 41 HG12 ILE 41 -12.625 -12.801 3.337 352 HG21 ILE 41 HG21 ILE 41 -10.162 -12.811 3.219 353 HG22 ILE 41 HG22 ILE 41 -10.225 -11.129 2.688 354 HG23 ILE 41 HG23 ILE 41 -9.343 -12.321 1.733 355 HD11 ILE 41 HD11 ILE 41 -13.797 -10.688 3.442 356 HD12 ILE 41 HD12 ILE 41 -13.055 -10.178 1.925 357 HD13 ILE 41 HD13 ILE 41 -12.056 -10.419 3.359 358 H PHE 42 H PHE 42 -9.238 -10.521 0.544 359 HA PHE 42 HA PHE 42 -8.340 -11.495 -2.069 360 HB2 PHE 42 HB3 PHE 42 -7.426 -9.148 -0.405 361 HB3 PHE 42 HB2 PHE 42 -6.642 -9.659 -1.897 362 HD1 PHE 42 HD1 PHE 42 -9.815 -8.402 -0.482 363 HD2 PHE 42 HD2 PHE 42 -7.496 -9.052 -3.990 364 HE1 PHE 42 HE1 PHE 42 -11.424 -7.083 -1.787 365 HE2 PHE 42 HE2 PHE 42 -9.101 -7.728 -5.299 366 HZ PHE 42 HZ PHE 42 -11.070 -6.742 -4.198 367 H ASP 43 H ASP 43 -5.700 -11.228 -1.926 368 HA ASP 43 HA ASP 43 -4.845 -13.103 0.165 369 HB2 ASP 43 HB3 ASP 43 -3.429 -14.192 -1.659 370 HB3 ASP 43 HB2 ASP 43 -5.159 -14.504 -1.724 371 H HIS 44 H HIS 44 -2.313 -13.380 -0.129 372 HA HIS 44 HA HIS 44 -1.241 -10.732 0.289 373 HB2 HIS 44 HB3 HIS 44 -0.040 -13.487 0.534 374 HB3 HIS 44 HB2 HIS 44 0.893 -12.018 0.790 375 HD1 HIS 44 HD1 HIS 44 0.618 -13.993 3.082 376 HD2 HIS 44 HD2 HIS 44 -2.014 -10.825 2.476 377 HE1 HIS 44 HE1 HIS 44 -0.401 -13.517 5.329 378 HE2 HIS 44 HE2 HIS 44 -2.103 -11.709 4.919 379 H ALA 45 H ALA 45 -1.562 -12.756 -2.391 380 HA ALA 45 HA ALA 45 0.803 -11.964 -3.806 381 HB1 ALA 45 HB1 ALA 45 -1.795 -13.052 -4.885 382 HB2 ALA 45 HB2 ALA 45 -0.417 -14.022 -4.366 383 HB3 ALA 45 HB3 ALA 45 -0.265 -12.947 -5.756 384 H HIS 46 H HIS 46 -2.559 -10.892 -3.743 385 HA HIS 46 HA HIS 46 -2.123 -8.736 -5.547 386 HB2 HIS 46 HB3 HIS 46 -4.286 -9.312 -3.531 387 HB3 HIS 46 HB2 HIS 46 -4.275 -7.836 -4.493 388 HD1 HIS 46 HD1 HIS 46 -4.442 -11.599 -4.918 389 HD2 HIS 46 HD2 HIS 46 -5.227 -8.110 -7.050 390 HE1 HIS 46 HE1 HIS 46 -5.593 -12.333 -7.032 391 HE2 HIS 46 HE2 HIS 46 -5.861 -10.229 -8.394 392 H THR 47 H THR 47 -1.426 -9.246 -2.223 393 HA THR 47 HA THR 47 -1.131 -6.590 -1.353 394 HB THR 47 HB THR 47 0.485 -9.026 -0.567 395 HG1 THR 47 HG1 THR 47 -2.058 -8.293 -0.055 396 HG21 THR 47 HG21 THR 47 1.164 -7.820 1.391 397 HG22 THR 47 HG22 THR 47 0.139 -6.444 0.962 398 HG23 THR 47 HG23 THR 47 1.554 -6.829 -0.017 399 H ARG 48 H ARG 48 1.452 -8.826 -2.439 400 HA ARG 48 HA ARG 48 3.471 -6.928 -2.609 401 HB2 ARG 48 HB3 ARG 48 4.579 -8.510 -4.218 402 HB3 ARG 48 HB2 ARG 48 4.071 -9.236 -2.700 403 HG2 ARG 48 HG3 ARG 48 2.210 -10.289 -3.733 404 HG3 ARG 48 HG2 ARG 48 2.452 -9.386 -5.228 405 HD2 ARG 48 HD3 ARG 48 4.502 -10.554 -5.669 406 HD3 ARG 48 HD2 ARG 48 4.442 -11.343 -4.092 407 HE ARG 48 HE ARG 48 2.654 -12.693 -4.861 408 HH11 ARG 48 HH11 ARG 48 4.057 -10.663 -7.362 409 HH12 ARG 48 HH12 ARG 48 3.366 -11.588 -8.663 410 HH21 ARG 48 HH22 ARG 48 1.746 -13.907 -6.602 411 HH22 ARG 48 HH21 ARG 48 2.057 -13.403 -8.241 412 H GLU 49 H GLU 49 1.106 -7.901 -5.031 413 HA GLU 49 HA GLU 49 2.147 -6.417 -7.169 414 HB2 GLU 49 HB3 GLU 49 -0.461 -7.685 -6.521 415 HB3 GLU 49 HB2 GLU 49 -0.429 -6.511 -7.837 416 HG2 GLU 49 HG3 GLU 49 1.477 -7.856 -8.809 417 HG3 GLU 49 HG2 GLU 49 1.097 -9.087 -7.605 418 H PHE 50 H PHE 50 -0.552 -5.568 -4.951 419 HA PHE 50 HA PHE 50 -0.872 -2.988 -6.071 420 HB2 PHE 50 HB3 PHE 50 -1.828 -4.244 -3.517 421 HB3 PHE 50 HB2 PHE 50 -2.108 -2.537 -3.848 422 HD1 PHE 50 HD1 PHE 50 -2.739 -2.454 -6.653 423 HD2 PHE 50 HD2 PHE 50 -3.843 -5.346 -3.733 424 HE1 PHE 50 HE1 PHE 50 -4.743 -3.009 -7.967 425 HE2 PHE 50 HE2 PHE 50 -5.847 -5.910 -5.044 426 HZ PHE 50 HZ PHE 50 -6.298 -4.738 -7.165 427 H ILE 51 H ILE 51 1.039 -4.173 -3.346 428 HA ILE 51 HA ILE 51 1.763 -1.662 -2.314 429 HB ILE 51 HB ILE 51 3.310 -4.254 -2.242 430 HG12 ILE 51 HG13 ILE 51 1.142 -4.380 -1.117 431 HG13 ILE 51 HG12 ILE 51 2.444 -4.395 0.067 432 HG21 ILE 51 HG21 ILE 51 3.730 -1.728 -0.650 433 HG22 ILE 51 HG22 ILE 51 4.806 -2.363 -1.896 434 HG23 ILE 51 HG23 ILE 51 4.571 -3.258 -0.394 435 HD11 ILE 51 HD11 ILE 51 2.041 -2.031 0.534 436 HD12 ILE 51 HD12 ILE 51 0.598 -3.008 0.806 437 HD13 ILE 51 HD13 ILE 51 0.735 -2.023 -0.651 438 H GLN 52 H GLN 52 3.474 -3.780 -4.619 439 HA GLN 52 HA GLN 52 5.586 -2.014 -5.182 440 HB2 GLN 52 HB3 GLN 52 4.422 -4.399 -6.535 441 HB3 GLN 52 HB2 GLN 52 5.535 -3.389 -7.448 442 HG2 GLN 52 HG3 GLN 52 6.163 -4.586 -4.762 443 HG3 GLN 52 HG2 GLN 52 6.594 -5.324 -6.305 444 HE21 GLN 52 HE22 GLN 52 8.297 -4.343 -4.128 445 HE22 GLN 52 HE21 GLN 52 9.348 -3.176 -4.844 446 H SER 53 H SER 53 2.385 -2.344 -6.627 447 HA SER 53 HA SER 53 2.755 -0.712 -8.855 448 HB2 SER 53 HB3 SER 53 0.265 -1.113 -7.181 449 HB3 SER 53 HB2 SER 53 0.295 -0.359 -8.777 450 HG SER 53 HG SER 53 0.958 -3.037 -8.094 451 H PHE 54 H PHE 54 2.000 0.148 -5.502 452 HA PHE 54 HA PHE 54 1.713 2.940 -6.102 453 HB2 PHE 54 HB3 PHE 54 0.638 1.858 -4.126 454 HB3 PHE 54 HB2 PHE 54 2.236 1.655 -3.413 455 HD1 PHE 54 HD2 PHE 54 -0.264 4.138 -4.498 456 HD2 PHE 54 HD1 PHE 54 3.330 3.455 -2.325 457 HE1 PHE 54 HE2 PHE 54 -0.420 6.397 -3.539 458 HE2 PHE 54 HE1 PHE 54 3.181 5.714 -1.362 459 HZ PHE 54 HZ PHE 54 1.305 7.188 -1.968 460 H ILE 55 H ILE 55 4.320 0.832 -5.063 461 HA ILE 55 HA ILE 55 6.221 2.781 -4.392 462 HB ILE 55 HB ILE 55 6.657 0.038 -5.591 463 HG12 ILE 55 HG13 ILE 55 6.730 1.003 -2.723 464 HG13 ILE 55 HG12 ILE 55 5.443 0.043 -3.446 465 HG21 ILE 55 HG21 ILE 55 8.931 0.189 -4.694 466 HG22 ILE 55 HG22 ILE 55 8.620 1.849 -4.189 467 HG23 ILE 55 HG23 ILE 55 8.628 1.438 -5.904 468 HD11 ILE 55 HD11 ILE 55 8.298 -0.830 -3.070 469 HD12 ILE 55 HD12 ILE 55 7.008 -1.794 -3.791 470 HD13 ILE 55 HD13 ILE 55 6.917 -1.327 -2.092 471 H GLU 56 H GLU 56 5.442 1.271 -7.509 472 HA GLU 56 HA GLU 56 7.371 2.772 -8.980 473 HB2 GLU 56 HB3 GLU 56 4.856 1.459 -10.017 474 HB3 GLU 56 HB2 GLU 56 6.265 1.922 -10.960 475 HG2 GLU 56 HG3 GLU 56 7.600 0.306 -9.600 476 HG3 GLU 56 HG2 GLU 56 6.084 -0.245 -8.886 477 H ARG 57 H ARG 57 4.063 3.280 -8.012 478 HA ARG 57 HA ARG 57 3.417 5.467 -9.659 479 HB2 ARG 57 HB3 ARG 57 1.801 4.168 -8.277 480 HB3 ARG 57 HB2 ARG 57 2.489 4.887 -6.834 481 HG2 ARG 57 HG3 ARG 57 1.393 6.663 -8.959 482 HG3 ARG 57 HG2 ARG 57 0.286 5.814 -7.883 483 HD2 ARG 57 HD3 ARG 57 1.578 6.789 -5.957 484 HD3 ARG 57 HD2 ARG 57 2.445 7.779 -7.131 485 HE ARG 57 HE ARG 57 -0.357 8.064 -7.472 486 HH11 ARG 57 HH11 ARG 57 2.282 9.045 -5.374 487 HH12 ARG 57 HH12 ARG 57 1.475 10.479 -4.832 488 HH21 ARG 57 HH22 ARG 57 -1.410 9.954 -6.756 489 HH22 ARG 57 HH21 ARG 57 -0.625 11.005 -5.612 490 H ASP 58 H ASP 58 5.197 5.186 -6.657 491 HA ASP 58 HA ASP 58 5.456 7.955 -6.111 492 HB2 ASP 58 HB3 ASP 58 5.912 6.070 -4.495 493 HB3 ASP 58 HB2 ASP 58 7.413 5.776 -5.368 494 H ASP 59 H ASP 59 7.528 5.622 -7.785 495 HA ASP 59 HA ASP 59 9.559 7.495 -8.467 496 HB2 ASP 59 HB3 ASP 59 9.820 4.983 -8.354 497 HB3 ASP 59 HB2 ASP 59 8.938 4.893 -9.875 498 H THR 60 H THR 60 6.435 7.141 -9.578 499 HA THR 60 HA THR 60 6.825 7.962 -12.288 500 HB THR 60 HB THR 60 4.338 8.291 -10.591 501 HG1 THR 60 HG1 THR 60 5.392 6.056 -10.998 502 HG21 THR 60 HG21 THR 60 4.709 8.135 -13.587 503 HG22 THR 60 HG22 THR 60 4.309 9.589 -12.671 504 HG23 THR 60 HG23 THR 60 3.163 8.250 -12.745 505 H GLU 61 H GLU 61 6.619 9.566 -9.190 506 HA GLU 61 HA GLU 61 6.218 12.193 -10.232 507 HB2 GLU 61 HB3 GLU 61 7.296 11.240 -7.576 508 HB3 GLU 61 HB2 GLU 61 7.078 12.937 -7.976 509 HG2 GLU 61 HG3 GLU 61 4.651 12.356 -8.446 510 HG3 GLU 61 HG2 GLU 61 4.982 10.817 -7.654 511 H LEU 62 H LEU 62 8.950 10.104 -9.833 512 HA LEU 62 HA LEU 62 11.068 11.907 -10.003 513 HB2 LEU 62 HB3 LEU 62 10.669 9.078 -10.457 514 HB3 LEU 62 HB2 LEU 62 11.766 9.743 -11.649 515 HG LEU 62 HG LEU 62 13.068 8.879 -9.850 516 HD11 LEU 62 HD11 LEU 62 13.876 10.958 -10.808 517 HD12 LEU 62 HD12 LEU 62 14.268 10.866 -9.091 518 HD13 LEU 62 HD13 LEU 62 12.933 11.881 -9.638 519 HD21 LEU 62 HD21 LEU 62 11.404 10.592 -8.015 520 HD22 LEU 62 HD22 LEU 62 12.810 9.639 -7.544 521 HD23 LEU 62 HD23 LEU 62 11.355 8.832 -8.129 522 H ASP 63 H ASP 63 9.149 10.401 -12.565 523 HA ASP 63 HA ASP 63 10.426 11.473 -14.788 524 HB2 ASP 63 HB3 ASP 63 8.741 9.765 -15.058 525 HB3 ASP 63 HB2 ASP 63 7.500 10.820 -14.388 526 H GLU 64 H GLU 64 7.767 12.842 -12.880 527 HA GLU 64 HA GLU 64 7.485 15.158 -14.480 528 HB2 GLU 64 HB3 GLU 64 6.652 14.614 -11.630 529 HB3 GLU 64 HB2 GLU 64 6.206 16.061 -12.528 530 HG2 GLU 64 HG3 GLU 64 5.177 14.536 -14.248 531 HG3 GLU 64 HG2 GLU 64 5.421 13.219 -13.100 532 H LEU 65 H LEU 65 9.431 14.431 -11.630 533 HA LEU 65 HA LEU 65 10.403 17.052 -11.208 534 HB2 LEU 65 HB3 LEU 65 11.662 14.371 -10.615 535 HB3 LEU 65 HB2 LEU 65 12.312 15.903 -10.064 536 HG LEU 65 HG LEU 65 9.620 14.770 -9.303 537 HD11 LEU 65 HD11 LEU 65 11.473 13.533 -8.313 538 HD12 LEU 65 HD12 LEU 65 10.618 14.478 -7.095 539 HD13 LEU 65 HD13 LEU 65 12.170 15.040 -7.717 540 HD21 LEU 65 HD21 LEU 65 9.605 17.204 -9.359 541 HD22 LEU 65 HD22 LEU 65 11.061 17.248 -8.364 542 HD23 LEU 65 HD23 LEU 65 9.556 16.619 -7.697 543 H LYS 66 H LYS 66 11.485 14.397 -13.246 544 HA LYS 66 HA LYS 66 13.847 15.634 -14.218 545 HB2 LYS 66 HB3 LYS 66 12.108 13.502 -15.484 546 HB3 LYS 66 HB2 LYS 66 13.737 13.920 -15.999 547 HG2 LYS 66 HG3 LYS 66 14.672 13.088 -13.971 548 HG3 LYS 66 HG2 LYS 66 13.071 12.891 -13.250 549 HD2 LYS 66 HD3 LYS 66 12.550 11.249 -15.067 550 HD3 LYS 66 HD2 LYS 66 14.238 11.357 -15.570 551 HE2 LYS 66 HE3 LYS 66 14.953 10.567 -13.378 552 HE3 LYS 66 HE2 LYS 66 13.276 10.502 -12.842 553 HZ1 LYS 66 HZ1 LYS 66 14.447 8.886 -15.045 554 HZ2 LYS 66 HZ2 LYS 66 12.836 8.809 -14.511 555 HZ3 LYS 66 HZ3 LYS 66 14.094 8.322 -13.487 556 H LYS 67 H LYS 67 10.493 15.829 -15.084 557 HA LYS 67 HA LYS 67 10.873 16.795 -17.738 558 HB2 LYS 67 HB3 LYS 67 8.830 15.614 -16.673 559 HB3 LYS 67 HB2 LYS 67 8.390 17.217 -16.103 560 HG2 LYS 67 HG3 LYS 67 8.330 18.023 -18.404 561 HG3 LYS 67 HG2 LYS 67 8.779 16.416 -18.979 562 HD2 LYS 67 HD3 LYS 67 6.710 15.595 -17.707 563 HD3 LYS 67 HD2 LYS 67 6.234 17.293 -17.651 564 HE2 LYS 67 HE3 LYS 67 5.190 16.211 -19.542 565 HE3 LYS 67 HE2 LYS 67 6.378 17.387 -20.108 566 HZ1 LYS 67 HZ1 LYS 67 6.363 15.125 -21.222 567 HZ2 LYS 67 HZ2 LYS 67 7.041 14.518 -19.795 568 HZ3 LYS 67 HZ3 LYS 67 7.868 15.696 -20.693 569 H LYS 68 H LYS 68 10.647 18.295 -14.599 570 HA LYS 68 HA LYS 68 10.099 20.915 -15.760 571 HB2 LYS 68 HB3 LYS 68 10.404 20.162 -12.849 572 HB3 LYS 68 HB2 LYS 68 9.730 21.657 -13.487 573 HG2 LYS 68 HG3 LYS 68 7.883 20.410 -14.477 574 HG3 LYS 68 HG2 LYS 68 8.562 18.908 -13.853 575 HD2 LYS 68 HD3 LYS 68 8.369 19.945 -11.545 576 HD3 LYS 68 HD2 LYS 68 7.396 21.210 -12.304 577 HE2 LYS 68 HE3 LYS 68 5.913 19.408 -13.206 578 HE3 LYS 68 HE2 LYS 68 6.819 18.253 -12.234 579 HZ1 LYS 68 HZ1 LYS 68 4.972 18.776 -10.954 580 HZ2 LYS 68 HZ2 LYS 68 5.044 20.430 -11.325 581 HZ3 LYS 68 HZ3 LYS 68 6.192 19.742 -10.281 582 H ARG 69 H ARG 69 12.792 19.211 -15.523 583 HA ARG 69 HA ARG 69 14.582 20.919 -14.115 584 HB2 ARG 69 HB3 ARG 69 15.181 18.911 -16.294 585 HB3 ARG 69 HB2 ARG 69 16.371 19.654 -15.237 586 HG2 ARG 69 HG3 ARG 69 15.340 18.570 -13.309 587 HG3 ARG 69 HG2 ARG 69 14.137 17.831 -14.370 588 HD2 ARG 69 HD3 ARG 69 17.116 17.363 -14.375 589 HD3 ARG 69 HD2 ARG 69 15.856 16.215 -13.920 590 HE ARG 69 HE ARG 69 15.616 17.195 -16.622 591 HH11 ARG 69 HH11 ARG 69 17.054 14.741 -14.559 592 HH12 ARG 69 HH12 ARG 69 17.336 13.641 -15.874 593 HH21 ARG 69 HH22 ARG 69 15.980 15.748 -18.329 594 HH22 ARG 69 HH21 ARG 69 16.718 14.206 -18.014 595 H ARG 70 H ARG 70 13.046 21.218 -17.106 596 HA ARG 70 HA ARG 70 14.966 22.327 -18.777 597 HB2 ARG 70 HB3 ARG 70 12.081 23.191 -18.671 598 HB3 ARG 70 HB2 ARG 70 13.157 23.246 -20.057 599 HG2 ARG 70 HG3 ARG 70 13.212 20.808 -20.117 600 HG3 ARG 70 HG2 ARG 70 12.139 20.751 -18.717 601 HD2 ARG 70 HD3 ARG 70 11.538 21.766 -21.484 602 HD3 ARG 70 HD2 ARG 70 10.765 20.435 -20.621 603 HE ARG 70 HE ARG 70 10.448 23.298 -19.952 604 HH11 ARG 70 HH11 ARG 70 9.236 20.002 -20.006 605 HH12 ARG 70 HH12 ARG 70 7.689 20.436 -19.328 606 HH21 ARG 70 HH22 ARG 70 8.419 23.864 -19.101 607 HH22 ARG 70 HH21 ARG 70 7.225 22.632 -18.830 608 H SER 71 H SER 71 12.772 23.973 -16.542 609 HA SER 71 HA SER 71 14.412 26.399 -16.841 610 HB2 SER 71 HB3 SER 71 11.483 26.252 -16.093 611 HB3 SER 71 HB2 SER 71 12.422 27.715 -16.387 612 HG SER 71 HG SER 71 12.706 27.009 -18.550 613 H ASN 72 H ASN 72 12.815 24.242 -14.579 614 HA ASN 72 HA ASN 72 13.357 26.000 -12.331 615 HB2 ASN 72 HB3 ASN 72 12.144 23.229 -12.335 616 HB3 ASN 72 HB2 ASN 72 12.111 24.388 -11.010 617 HD21 ASN 72 HD22 ASN 72 10.679 26.116 -11.088 618 HD22 ASN 72 HD21 ASN 72 9.402 26.208 -12.261 619 H ARG 73 H ARG 73 15.113 23.830 -14.045 620 HA ARG 73 HA ARG 73 17.095 22.776 -13.736 621 HB2 ARG 73 HB3 ARG 73 16.963 24.261 -11.121 622 HB3 ARG 73 HB2 ARG 73 18.266 23.134 -11.467 623 HG2 ARG 73 HG3 ARG 73 18.910 24.451 -13.407 624 HG3 ARG 73 HG2 ARG 73 17.579 25.570 -13.097 625 HD2 ARG 73 HD3 ARG 73 18.550 26.344 -11.105 626 HD3 ARG 73 HD2 ARG 73 19.679 24.991 -11.031 627 HE ARG 73 HE ARG 73 20.328 26.257 -13.349 628 HH11 ARG 73 HH11 ARG 73 19.995 27.297 -10.026 629 HH12 ARG 73 HH12 ARG 73 21.234 28.512 -10.141 630 HH21 ARG 73 HH22 ARG 73 21.955 27.833 -13.514 631 HH22 ARG 73 HH21 ARG 73 22.346 28.828 -12.146 632 HA PRO 74 HA PRO 74 16.195 18.880 -11.782 633 HB2 PRO 74 HB2 PRO 74 18.712 18.171 -10.886 634 HB3 PRO 74 HB3 PRO 74 18.129 17.918 -12.533 635 HG2 PRO 74 HG3 PRO 74 19.864 20.093 -11.449 636 HG3 PRO 74 HG2 PRO 74 19.970 19.238 -13.000 637 HD2 PRO 74 HD3 PRO 74 18.942 21.715 -12.819 638 HD3 PRO 74 HD2 PRO 74 18.303 20.519 -13.966 639 HA PRO 75 HA PRO 75 15.824 20.370 -7.567 640 HB2 PRO 75 HB2 PRO 75 14.126 18.064 -7.087 641 HB3 PRO 75 HB3 PRO 75 13.683 19.771 -7.146 642 HG2 PRO 75 HG3 PRO 75 12.912 17.955 -9.028 643 HG3 PRO 75 HG2 PRO 75 13.125 19.682 -9.365 644 HD2 PRO 75 HD3 PRO 75 14.964 17.394 -9.949 645 HD3 PRO 75 HD2 PRO 75 14.586 18.819 -10.941 646 H SER 76 H SER 76 18.082 19.714 -7.279 647 HA SER 76 HA SER 76 19.090 17.216 -6.833 648 HB2 SER 76 HB3 SER 76 19.880 19.648 -5.223 649 HB3 SER 76 HB2 SER 76 20.899 18.281 -5.677 650 HG SER 76 HG SER 76 21.303 20.011 -7.062 651 H ASN 77 H ASN 77 17.343 19.238 -4.542 652 HA ASN 77 HA ASN 77 17.737 17.506 -2.310 653 HB2 ASN 77 HB3 ASN 77 15.769 19.747 -2.805 654 HB3 ASN 77 HB2 ASN 77 15.869 18.866 -1.287 655 HD21 ASN 77 HD22 ASN 77 16.386 20.713 -0.155 656 HD22 ASN 77 HD21 ASN 77 17.953 21.459 -0.263 657 H ARG 78 H ARG 78 14.823 18.257 -4.229 658 HA ARG 78 HA ARG 78 13.317 16.283 -2.835 659 HB2 ARG 78 HB3 ARG 78 12.677 18.067 -5.163 660 HB3 ARG 78 HB2 ARG 78 11.532 16.884 -4.544 661 HG2 ARG 78 HG3 ARG 78 11.657 17.956 -2.332 662 HG3 ARG 78 HG2 ARG 78 12.738 19.175 -3.009 663 HD2 ARG 78 HD3 ARG 78 11.015 19.906 -4.533 664 HD3 ARG 78 HD2 ARG 78 9.940 18.624 -3.978 665 HE ARG 78 HE ARG 78 10.303 19.871 -1.701 666 HH11 ARG 78 HH11 ARG 78 9.948 21.306 -4.867 667 HH12 ARG 78 HH12 ARG 78 9.139 22.722 -4.278 668 HH21 ARG 78 HH22 ARG 78 9.239 21.718 -0.914 669 HH22 ARG 78 HH21 ARG 78 8.727 22.960 -2.020 670 H GLN 79 H GLN 79 15.113 16.212 -5.833 671 HA GLN 79 HA GLN 79 13.792 13.960 -6.948 672 HB2 GLN 79 HB3 GLN 79 15.295 15.329 -8.309 673 HB3 GLN 79 HB2 GLN 79 16.658 14.866 -7.297 674 HG2 GLN 79 HG3 GLN 79 16.227 12.493 -7.958 675 HG3 GLN 79 HG2 GLN 79 15.046 13.099 -9.116 676 HE21 GLN 79 HE22 GLN 79 17.533 11.613 -9.504 677 HE22 GLN 79 HE21 GLN 79 18.499 12.572 -10.573 678 H VAL 80 H VAL 80 16.768 14.257 -5.029 679 HA VAL 80 HA VAL 80 17.170 11.485 -4.695 680 HB VAL 80 HB VAL 80 18.079 13.749 -2.902 681 HG11 VAL 80 HG11 VAL 80 19.088 10.914 -3.130 682 HG12 VAL 80 HG12 VAL 80 18.198 11.597 -1.769 683 HG13 VAL 80 HG13 VAL 80 19.814 12.189 -2.151 684 HG21 VAL 80 HG21 VAL 80 18.849 14.022 -5.200 685 HG22 VAL 80 HG22 VAL 80 19.484 12.376 -5.193 686 HG23 VAL 80 HG23 VAL 80 20.191 13.599 -4.136 687 H LEU 81 H LEU 81 15.476 13.924 -2.774 688 HA LEU 81 HA LEU 81 14.755 12.333 -0.595 689 HB2 LEU 81 HB3 LEU 81 14.462 14.779 -0.689 690 HB3 LEU 81 HB2 LEU 81 13.187 14.576 -1.874 691 HG LEU 81 HG LEU 81 11.848 13.355 -0.182 692 HD11 LEU 81 HD11 LEU 81 14.061 14.170 1.695 693 HD12 LEU 81 HD12 LEU 81 13.671 12.522 1.199 694 HD13 LEU 81 HD13 LEU 81 12.521 13.448 2.163 695 HD21 LEU 81 HD21 LEU 81 11.511 15.741 -0.545 696 HD22 LEU 81 HD22 LEU 81 12.760 16.107 0.644 697 HD23 LEU 81 HD23 LEU 81 11.265 15.319 1.150 698 H LEU 82 H LEU 82 13.110 12.857 -3.695 699 HA LEU 82 HA LEU 82 10.844 11.277 -3.234 700 HB2 LEU 82 HB3 LEU 82 11.585 12.843 -5.243 701 HB3 LEU 82 HB2 LEU 82 12.139 11.332 -5.930 702 HG LEU 82 HG LEU 82 9.976 11.807 -6.822 703 HD11 LEU 82 HD11 LEU 82 8.661 9.881 -6.112 704 HD12 LEU 82 HD12 LEU 82 9.711 9.680 -4.709 705 HD13 LEU 82 HD13 LEU 82 10.360 9.464 -6.334 706 HD21 LEU 82 HD21 LEU 82 9.182 13.372 -5.179 707 HD22 LEU 82 HD22 LEU 82 9.049 12.088 -3.976 708 HD23 LEU 82 HD23 LEU 82 7.999 12.079 -5.392 709 H GLN 83 H GLN 83 13.944 10.442 -4.787 710 HA GLN 83 HA GLN 83 13.430 7.742 -5.228 711 HB2 GLN 83 HB3 GLN 83 15.385 8.904 -6.172 712 HB3 GLN 83 HB2 GLN 83 16.095 9.012 -4.564 713 HG2 GLN 83 HG3 GLN 83 15.953 6.480 -4.497 714 HG3 GLN 83 HG2 GLN 83 15.610 6.559 -6.223 715 HE21 GLN 83 HE22 GLN 83 17.840 5.374 -4.772 716 HE22 GLN 83 HE21 GLN 83 19.277 6.112 -5.420 717 H GLN 84 H GLN 84 14.756 9.369 -2.379 718 HA GLN 84 HA GLN 84 15.416 7.056 -0.931 719 HB2 GLN 84 HB3 GLN 84 14.718 9.833 0.010 720 HB3 GLN 84 HB2 GLN 84 15.271 8.557 1.086 721 HG2 GLN 84 HG3 GLN 84 17.358 8.401 -0.193 722 HG3 GLN 84 HG2 GLN 84 16.804 9.712 -1.233 723 HE21 GLN 84 HE22 GLN 84 15.520 11.084 1.022 724 HE22 GLN 84 HE21 GLN 84 16.800 11.813 1.928 725 H ARG 85 H ARG 85 12.338 8.703 -1.346 726 HA ARG 85 HA ARG 85 11.005 7.451 0.818 727 HB2 ARG 85 HB3 ARG 85 9.798 8.357 -1.805 728 HB3 ARG 85 HB2 ARG 85 8.921 8.023 -0.320 729 HG2 ARG 85 HG3 ARG 85 10.371 9.864 0.717 730 HG3 ARG 85 HG2 ARG 85 10.749 10.306 -0.949 731 HD2 ARG 85 HD3 ARG 85 8.040 10.237 0.366 732 HD3 ARG 85 HD2 ARG 85 8.913 11.652 -0.209 733 HE ARG 85 HE ARG 85 8.331 9.714 -2.266 734 HH11 ARG 85 HH11 ARG 85 7.198 12.550 -0.539 735 HH12 ARG 85 HH12 ARG 85 6.052 12.987 -1.765 736 HH21 ARG 85 HH22 ARG 85 6.815 10.270 -3.865 737 HH22 ARG 85 HH21 ARG 85 5.837 11.700 -3.670 738 H ARG 86 H ARG 86 11.445 6.568 -2.570 739 HA ARG 86 HA ARG 86 10.057 4.086 -2.335 740 HB2 ARG 86 HB3 ARG 86 10.183 5.040 -4.511 741 HB3 ARG 86 HB2 ARG 86 11.929 5.217 -4.412 742 HG2 ARG 86 HG3 ARG 86 12.277 2.898 -4.662 743 HG3 ARG 86 HG2 ARG 86 10.573 2.539 -4.389 744 HD2 ARG 86 HD3 ARG 86 11.262 2.356 -6.762 745 HD3 ARG 86 HD2 ARG 86 9.966 3.515 -6.490 746 HE ARG 86 HE ARG 86 11.312 5.131 -7.345 747 HH11 ARG 86 HH11 ARG 86 13.395 2.554 -6.207 748 HH12 ARG 86 HH12 ARG 86 14.829 3.234 -6.906 749 HH21 ARG 86 HH22 ARG 86 13.161 5.984 -8.332 750 HH22 ARG 86 HH21 ARG 86 14.702 5.185 -8.125 751 H ASP 87 H ASP 87 13.446 5.069 -2.196 752 HA ASP 87 HA ASP 87 14.594 2.508 -2.070 753 HB2 ASP 87 HB3 ASP 87 15.470 5.234 -1.781 754 HB3 ASP 87 HB2 ASP 87 16.203 4.241 -0.526 755 H GLN 88 H GLN 88 13.552 4.705 0.522 756 HA GLN 88 HA GLN 88 14.317 3.046 2.673 757 HB2 GLN 88 HB3 GLN 88 13.912 5.186 3.399 758 HB3 GLN 88 HB2 GLN 88 12.537 5.407 2.329 759 HG2 GLN 88 HG3 GLN 88 12.167 3.443 4.495 760 HG3 GLN 88 HG2 GLN 88 12.346 5.124 4.997 761 HE21 GLN 88 HE22 GLN 88 10.005 3.272 5.026 762 HE22 GLN 88 HE21 GLN 88 8.768 4.118 4.159 763 H GLU 89 H GLU 89 11.303 3.332 0.858 764 HA GLU 89 HA GLU 89 9.846 1.529 2.468 765 HB2 GLU 89 HB3 GLU 89 8.881 3.219 0.892 766 HB3 GLU 89 HB2 GLU 89 9.369 2.178 -0.438 767 HG2 GLU 89 HG3 GLU 89 7.832 0.534 0.120 768 HG3 GLU 89 HG2 GLU 89 7.629 1.148 1.761 769 H LEU 90 H LEU 90 11.824 1.111 -0.434 770 HA LEU 90 HA LEU 90 11.283 -1.651 -0.780 771 HB2 LEU 90 HB3 LEU 90 13.621 0.052 -1.627 772 HB3 LEU 90 HB2 LEU 90 13.462 -1.638 -2.059 773 HG LEU 90 HG LEU 90 11.530 0.550 -2.835 774 HD11 LEU 90 HD11 LEU 90 12.401 0.205 -5.093 775 HD12 LEU 90 HD12 LEU 90 13.579 -0.946 -4.464 776 HD13 LEU 90 HD13 LEU 90 13.664 0.750 -3.989 777 HD21 LEU 90 HD21 LEU 90 10.436 -1.616 -2.561 778 HD22 LEU 90 HD22 LEU 90 11.633 -2.361 -3.618 779 HD23 LEU 90 HD23 LEU 90 10.518 -1.156 -4.261 780 H LYS 91 H LYS 91 13.381 0.099 1.351 781 HA LYS 91 HA LYS 91 15.067 -2.076 2.082 782 HB2 LYS 91 HB3 LYS 91 15.682 0.274 2.492 783 HB3 LYS 91 HB2 LYS 91 14.348 0.428 3.624 784 HG2 LYS 91 HG3 LYS 91 15.396 -1.219 5.090 785 HG3 LYS 91 HG2 LYS 91 16.734 -1.382 3.950 786 HD2 LYS 91 HD3 LYS 91 17.283 0.981 4.253 787 HD3 LYS 91 HD2 LYS 91 15.939 1.152 5.382 788 HE2 LYS 91 HE3 LYS 91 18.030 0.919 6.586 789 HE3 LYS 91 HE2 LYS 91 16.998 -0.478 6.875 790 HZ1 LYS 91 HZ1 LYS 91 19.332 -1.069 6.470 791 HZ2 LYS 91 HZ2 LYS 91 19.226 -0.405 4.911 792 HZ3 LYS 91 HZ3 LYS 91 18.288 -1.755 5.323 793 H GLU 92 H GLU 92 12.134 -0.657 3.500 794 HA GLU 92 HA GLU 92 11.903 -2.634 5.542 795 HB2 GLU 92 HB3 GLU 92 9.891 -0.690 4.397 796 HB3 GLU 92 HB2 GLU 92 9.574 -1.729 5.782 797 HG2 GLU 92 HG3 GLU 92 11.395 -0.667 7.006 798 HG3 GLU 92 HG2 GLU 92 11.732 0.363 5.616 799 H PHE 93 H PHE 93 10.692 -2.280 2.281 800 HA PHE 93 HA PHE 93 8.927 -4.395 2.053 801 HB2 PHE 93 HB3 PHE 93 9.405 -2.781 0.268 802 HB3 PHE 93 HB2 PHE 93 11.026 -3.427 0.093 803 HD1 PHE 93 HD1 PHE 93 7.478 -3.968 -0.594 804 HD2 PHE 93 HD2 PHE 93 11.422 -5.487 -1.095 805 HE1 PHE 93 HE1 PHE 93 6.670 -5.475 -2.363 806 HE2 PHE 93 HE2 PHE 93 10.620 -7.001 -2.860 807 HZ PHE 93 HZ PHE 93 8.242 -6.993 -3.499 808 H LYS 94 H LYS 94 12.441 -4.397 2.051 809 HA LYS 94 HA LYS 94 12.786 -7.127 1.358 810 HB2 LYS 94 HB3 LYS 94 14.542 -5.496 0.995 811 HB3 LYS 94 HB2 LYS 94 14.625 -5.152 2.716 812 HG2 LYS 94 HG3 LYS 94 15.419 -7.431 3.126 813 HG3 LYS 94 HG2 LYS 94 15.357 -7.756 1.392 814 HD2 LYS 94 HD3 LYS 94 17.000 -6.015 0.983 815 HD3 LYS 94 HD2 LYS 94 17.025 -5.611 2.701 816 HE2 LYS 94 HE3 LYS 94 17.840 -8.254 1.498 817 HE3 LYS 94 HE2 LYS 94 18.943 -6.995 2.054 818 HZ1 LYS 94 HZ1 LYS 94 18.687 -8.722 3.712 819 HZ2 LYS 94 HZ2 LYS 94 17.009 -8.484 3.754 820 HZ3 LYS 94 HZ3 LYS 94 18.053 -7.260 4.294 821 H ALA 95 H ALA 95 12.528 -5.418 4.434 822 HA ALA 95 HA ALA 95 13.177 -7.886 5.878 823 HB1 ALA 95 HB1 ALA 95 13.478 -6.468 7.833 824 HB2 ALA 95 HB2 ALA 95 12.935 -5.066 6.912 825 HB3 ALA 95 HB3 ALA 95 14.438 -5.877 6.476 826 H GLY 96 H GLY 96 10.471 -6.576 4.686 827 HA2 GLY 96 HA3 GLY 96 8.344 -7.583 5.233 828 HA3 GLY 96 HA2 GLY 96 8.846 -7.613 6.918 829 H PHE 97 H PHE 97 7.058 -5.983 4.617 830 HA PHE 97 HA PHE 97 7.259 -3.383 5.952 831 HB2 PHE 97 HB3 PHE 97 7.415 -3.570 3.442 832 HB3 PHE 97 HB2 PHE 97 5.735 -4.093 3.434 833 HD1 PHE 97 HD1 PHE 97 7.969 -1.282 4.316 834 HD2 PHE 97 HD2 PHE 97 3.986 -2.530 3.491 835 HE1 PHE 97 HE1 PHE 97 7.254 1.070 4.240 836 HE2 PHE 97 HE2 PHE 97 3.262 -0.180 3.415 837 HZ PHE 97 HZ PHE 97 4.896 1.624 3.789 838 H LEU 98 H LEU 98 5.502 -2.365 6.883 839 HA LEU 98 HA LEU 98 3.533 -4.042 8.066 840 HB2 LEU 98 HB3 LEU 98 4.471 -1.984 9.110 841 HB3 LEU 98 HB2 LEU 98 3.605 -1.026 7.926 842 HG LEU 98 HG LEU 98 1.463 -1.999 8.823 843 HD11 LEU 98 HD11 LEU 98 1.530 -3.018 11.043 844 HD12 LEU 98 HD12 LEU 98 3.293 -2.998 11.001 845 HD13 LEU 98 HD13 LEU 98 2.395 -3.996 9.857 846 HD21 LEU 98 HD21 LEU 98 2.214 0.231 9.444 847 HD22 LEU 98 HD22 LEU 98 3.192 -0.446 10.746 848 HD23 LEU 98 HD23 LEU 98 1.434 -0.567 10.810 849 H CYS 99 H CYS 99 2.031 -4.944 6.789 850 HA CYS 99 HA CYS 99 0.403 -3.151 5.111 851 HB2 CYS 99 HB3 CYS 99 1.123 -6.013 4.430 852 HB3 CYS 99 HB2 CYS 99 0.191 -4.897 3.439 853 HG CYS 99 HG CYS 99 3.511 -4.568 4.197 854 HA PRO 100 HA PRO 100 -2.972 -5.001 7.370 855 HB2 PRO 100 HB2 PRO 100 -5.013 -4.496 5.660 856 HB3 PRO 100 HB3 PRO 100 -4.277 -3.240 6.660 857 HG2 PRO 100 HG3 PRO 100 -3.839 -3.865 3.771 858 HG3 PRO 100 HG2 PRO 100 -3.969 -2.288 4.570 859 HD2 PRO 100 HD3 PRO 100 -1.589 -3.419 3.855 860 HD3 PRO 100 HD2 PRO 100 -1.766 -2.295 5.217 861 H ASP 101 H ASP 101 -3.819 -7.025 7.488 862 HA ASP 101 HA ASP 101 -3.098 -8.885 5.433 863 HB2 ASP 101 HB3 ASP 101 -3.091 -9.472 7.859 864 HB3 ASP 101 HB2 ASP 101 -4.853 -9.396 7.842 865 H LEU 102 H LEU 102 -4.170 -8.811 3.589 866 HA LEU 102 HA LEU 102 -6.877 -8.000 3.355 867 HB2 LEU 102 HB3 LEU 102 -5.113 -9.422 1.373 868 HB3 LEU 102 HB2 LEU 102 -6.673 -8.719 1.005 869 HG LEU 102 HG LEU 102 -4.122 -7.288 1.704 870 HD11 LEU 102 HD11 LEU 102 -4.334 -7.966 -0.587 871 HD12 LEU 102 HD12 LEU 102 -4.593 -6.223 -0.487 872 HD13 LEU 102 HD13 LEU 102 -5.969 -7.316 -0.671 873 HD21 LEU 102 HD21 LEU 102 -5.942 -6.202 2.921 874 HD22 LEU 102 HD22 LEU 102 -6.897 -6.124 1.440 875 HD23 LEU 102 HD23 LEU 102 -5.400 -5.201 1.574 876 H SER 103 H SER 103 -5.564 -10.924 4.334 877 HA SER 103 HA SER 103 -7.645 -12.544 3.098 878 HB2 SER 103 HB3 SER 103 -6.236 -14.362 4.450 879 HB3 SER 103 HB2 SER 103 -5.717 -13.758 2.877 880 HG SER 103 HG SER 103 -4.878 -12.658 5.371 881 H ASP 104 H ASP 104 -7.936 -10.565 5.391 882 HA ASP 104 HA ASP 104 -9.529 -12.397 7.048 883 HB2 ASP 104 HB3 ASP 104 -7.618 -11.543 8.357 884 HB3 ASP 104 HB2 ASP 104 -8.133 -9.893 8.013 885 H ALA 105 H ALA 105 -11.597 -12.051 6.717 886 HA ALA 105 HA ALA 105 -12.603 -9.970 5.146 887 HB1 ALA 105 HB1 ALA 105 -14.812 -10.802 5.745 888 HB2 ALA 105 HB2 ALA 105 -14.120 -11.733 7.074 889 HB3 ALA 105 HB3 ALA 105 -13.713 -12.138 5.406 890 H LYS 106 H LYS 106 -12.454 -10.246 8.690 891 HA LYS 106 HA LYS 106 -14.167 -8.023 9.137 892 HB2 LYS 106 HB3 LYS 106 -13.799 -9.704 10.887 893 HB3 LYS 106 HB2 LYS 106 -12.108 -9.227 10.997 894 HG2 LYS 106 HG3 LYS 106 -12.621 -7.168 11.956 895 HG3 LYS 106 HG2 LYS 106 -14.300 -7.236 11.427 896 HD2 LYS 106 HD3 LYS 106 -14.690 -9.095 12.999 897 HD3 LYS 106 HD2 LYS 106 -13.021 -8.945 13.558 898 HE2 LYS 106 HE3 LYS 106 -13.413 -6.784 14.439 899 HE3 LYS 106 HE2 LYS 106 -14.961 -6.647 13.611 900 HZ1 LYS 106 HZ1 LYS 106 -15.840 -8.386 15.035 901 HZ2 LYS 106 HZ2 LYS 106 -15.245 -7.098 15.965 902 HZ3 LYS 106 HZ3 LYS 106 -14.350 -8.532 15.828 903 H ASN 107 H ASN 107 -10.651 -8.399 8.947 904 HA ASN 107 HA ASN 107 -9.944 -5.727 9.403 905 HB2 ASN 107 HB3 ASN 107 -8.213 -7.387 9.268 906 HB3 ASN 107 HB2 ASN 107 -8.679 -7.822 7.626 907 HD21 ASN 107 HD22 ASN 107 -7.942 -6.614 5.922 908 HD22 ASN 107 HD21 ASN 107 -6.814 -5.318 6.095 909 H MET 108 H MET 108 -11.010 -7.374 6.475 910 HA MET 108 HA MET 108 -10.641 -5.181 4.731 911 HB2 MET 108 HB3 MET 108 -12.545 -7.512 4.461 912 HB3 MET 108 HB2 MET 108 -12.075 -6.414 3.169 913 HG2 MET 108 HG3 MET 108 -10.328 -8.382 4.623 914 HG3 MET 108 HG2 MET 108 -10.827 -8.427 2.934 915 HE1 MET 108 HE1 MET 108 -9.931 -6.779 1.078 916 HE2 MET 108 HE2 MET 108 -8.856 -5.417 1.405 917 HE3 MET 108 HE3 MET 108 -10.508 -5.415 2.035 918 H GLU 109 H GLU 109 -13.343 -6.209 6.750 919 HA GLU 109 HA GLU 109 -15.290 -4.437 5.808 920 HB2 GLU 109 HB3 GLU 109 -14.813 -5.583 8.558 921 HB3 GLU 109 HB2 GLU 109 -16.215 -4.596 8.168 922 HG2 GLU 109 HG3 GLU 109 -15.496 -7.170 6.787 923 HG3 GLU 109 HG2 GLU 109 -16.661 -7.021 8.103 924 H PHE 110 H PHE 110 -12.938 -3.998 8.442 925 HA PHE 110 HA PHE 110 -13.594 -1.316 9.011 926 HB2 PHE 110 HB3 PHE 110 -11.103 -2.954 9.442 927 HB3 PHE 110 HB2 PHE 110 -11.169 -1.256 9.891 928 HD1 PHE 110 HD1 PHE 110 -12.917 -4.493 10.443 929 HD2 PHE 110 HD2 PHE 110 -11.954 -0.639 11.961 930 HE1 PHE 110 HE1 PHE 110 -13.905 -5.106 12.610 931 HE2 PHE 110 HE2 PHE 110 -12.944 -1.242 14.131 932 HZ PHE 110 HZ PHE 110 -13.920 -3.480 14.458 933 H LEU 111 H LEU 111 -11.239 -2.764 6.828 934 HA LEU 111 HA LEU 111 -9.991 -0.410 5.966 935 HB2 LEU 111 HB3 LEU 111 -9.084 -2.658 5.632 936 HB3 LEU 111 HB2 LEU 111 -10.391 -3.037 4.529 937 HG LEU 111 HG LEU 111 -8.745 -0.703 3.775 938 HD11 LEU 111 HD11 LEU 111 -7.656 -3.514 3.673 939 HD12 LEU 111 HD12 LEU 111 -7.026 -2.196 4.660 940 HD13 LEU 111 HD13 LEU 111 -6.939 -2.100 2.901 941 HD21 LEU 111 HD21 LEU 111 -9.731 -3.134 2.296 942 HD22 LEU 111 HD22 LEU 111 -8.970 -1.716 1.576 943 HD23 LEU 111 HD23 LEU 111 -10.541 -1.568 2.364 944 H ARG 112 H ARG 112 -12.857 -2.095 4.767 945 HA ARG 112 HA ARG 112 -13.209 -0.369 2.500 946 HB2 ARG 112 HB3 ARG 112 -14.829 -2.550 3.776 947 HB3 ARG 112 HB2 ARG 112 -15.535 -1.538 2.522 948 HG2 ARG 112 HG3 ARG 112 -14.289 -2.458 0.881 949 HG3 ARG 112 HG2 ARG 112 -12.889 -2.698 1.925 950 HD2 ARG 112 HD3 ARG 112 -13.861 -4.824 1.199 951 HD3 ARG 112 HD2 ARG 112 -13.946 -4.626 2.946 952 HE ARG 112 HE ARG 112 -16.347 -3.928 2.505 953 HH11 ARG 112 HH11 ARG 112 -14.611 -6.143 0.418 954 HH12 ARG 112 HH12 ARG 112 -16.024 -7.042 -0.036 955 HH21 ARG 112 HH22 ARG 112 -18.211 -5.107 1.920 956 HH22 ARG 112 HH21 ARG 112 -18.078 -6.445 0.822 957 H ASN 113 H ASN 113 -13.775 0.055 5.773 958 HA ASN 113 HA ASN 113 -15.788 2.136 5.208 959 HB2 ASN 113 HB3 ASN 113 -15.511 0.361 7.635 960 HB3 ASN 113 HB2 ASN 113 -16.487 1.824 7.632 961 HD21 ASN 113 HD22 ASN 113 -17.383 1.480 4.881 962 HD22 ASN 113 HD21 ASN 113 -18.521 0.181 4.906 963 H TRP 114 H TRP 114 -12.749 2.053 5.394 964 HA TRP 114 HA TRP 114 -11.971 3.520 7.682 965 HB2 TRP 114 HB3 TRP 114 -10.448 2.212 6.163 966 HB3 TRP 114 HB2 TRP 114 -10.624 3.493 4.971 967 HD1 TRP 114 HD1 TRP 114 -9.617 3.386 8.733 968 HE1 TRP 114 HE1 TRP 114 -7.559 4.908 9.036 969 HE3 TRP 114 HE3 TRP 114 -9.074 5.002 3.913 970 HZ2 TRP 114 HZ2 TRP 114 -5.923 6.558 7.447 971 HZ3 TRP 114 HZ3 TRP 114 -7.233 6.547 3.390 972 HH2 TRP 114 HH2 TRP 114 -5.691 7.309 5.120 973 H ASN 115 H ASN 115 -12.520 5.538 8.181 974 HA ASN 115 HA ASN 115 -13.593 7.290 6.120 975 HB2 ASN 115 HB3 ASN 115 -13.487 7.512 9.131 976 HB3 ASN 115 HB2 ASN 115 -14.114 8.790 8.096 977 HD21 ASN 115 HD22 ASN 115 -15.442 7.208 10.149 978 HD22 ASN 115 HD21 ASN 115 -16.782 6.442 9.360 979 H GLY 116 H GLY 116 -10.596 6.634 6.835 980 HA2 GLY 116 HA3 GLY 116 -8.686 7.885 6.295 981 HA3 GLY 116 HA2 GLY 116 -9.651 9.353 6.382 982 H THR 117 H THR 117 -10.199 7.315 8.973 983 HA THR 117 HA THR 117 -8.994 9.139 10.825 984 HB THR 117 HB THR 117 -10.302 6.482 11.423 985 HG1 THR 117 HG1 THR 117 -11.952 8.571 11.794 986 HG21 THR 117 HG21 THR 117 -10.858 7.551 13.562 987 HG22 THR 117 HG22 THR 117 -9.994 9.004 13.058 988 HG23 THR 117 HG23 THR 117 -9.114 7.494 13.302 989 H PHE 118 H PHE 118 -7.042 8.970 11.736 990 HA PHE 118 HA PHE 118 -5.286 6.825 10.996 991 HB2 PHE 118 HB3 PHE 118 -4.876 9.098 12.951 992 HB3 PHE 118 HB2 PHE 118 -3.614 8.019 12.364 993 HD1 PHE 118 HD2 PHE 118 -3.212 7.964 9.828 994 HD2 PHE 118 HD1 PHE 118 -5.368 11.053 11.808 995 HE1 PHE 118 HE2 PHE 118 -2.828 9.457 7.910 996 HE2 PHE 118 HE1 PHE 118 -4.989 12.550 9.892 997 HZ PHE 118 HZ PHE 118 -3.717 11.753 7.940 998 H GLY 119 H GLY 119 -7.274 7.572 13.748 999 HA2 GLY 119 HA3 GLY 119 -6.068 5.791 15.601 1000 HA3 GLY 119 HA2 GLY 119 -7.716 6.400 15.682 1001 H LEU 120 H LEU 120 -8.336 5.364 13.009 1002 HA LEU 120 HA LEU 120 -9.424 2.876 13.753 1003 HB2 LEU 120 HB3 LEU 120 -10.154 4.627 11.957 1004 HB3 LEU 120 HB2 LEU 120 -9.070 3.749 10.900 1005 HG LEU 120 HG LEU 120 -11.287 2.326 12.356 1006 HD11 LEU 120 HD11 LEU 120 -12.696 2.661 10.384 1007 HD12 LEU 120 HD12 LEU 120 -11.476 3.731 9.693 1008 HD13 LEU 120 HD13 LEU 120 -12.315 4.191 11.174 1009 HD21 LEU 120 HD21 LEU 120 -9.595 0.932 11.297 1010 HD22 LEU 120 HD22 LEU 120 -9.824 1.789 9.771 1011 HD23 LEU 120 HD23 LEU 120 -11.129 0.806 10.434 1012 H LEU 121 H LEU 121 -6.359 3.767 12.525 1013 HA LEU 121 HA LEU 121 -5.658 1.402 11.149 1014 HB2 LEU 121 HB3 LEU 121 -3.874 3.337 12.630 1015 HB3 LEU 121 HB2 LEU 121 -3.339 2.143 11.463 1016 HG LEU 121 HG LEU 121 -5.156 4.475 10.842 1017 HD11 LEU 121 HD11 LEU 121 -2.910 5.218 11.383 1018 HD12 LEU 121 HD12 LEU 121 -3.224 5.387 9.655 1019 HD13 LEU 121 HD13 LEU 121 -2.234 4.052 10.245 1020 HD21 LEU 121 HD21 LEU 121 -4.766 3.858 8.509 1021 HD22 LEU 121 HD22 LEU 121 -5.556 2.554 9.394 1022 HD23 LEU 121 HD23 LEU 121 -3.832 2.456 9.032 1023 H ASN 122 H ASN 122 -5.871 2.205 14.509 1024 HA ASN 122 HA ASN 122 -4.264 -0.003 15.424 1025 HB2 ASN 122 HB3 ASN 122 -6.226 1.729 16.948 1026 HB3 ASN 122 HB2 ASN 122 -5.081 0.600 17.667 1027 HD21 ASN 122 HD22 ASN 122 -5.529 3.686 16.217 1028 HD22 ASN 122 HD21 ASN 122 -3.925 4.288 16.479 1029 H THR 123 H THR 123 -7.385 0.348 14.218 1030 HA THR 123 HA THR 123 -8.305 -2.090 15.561 1031 HB THR 123 HB THR 123 -10.561 -1.503 14.843 1032 HG1 THR 123 HG1 THR 123 -9.278 0.055 13.079 1033 HG21 THR 123 HG21 THR 123 -10.888 0.500 16.169 1034 HG22 THR 123 HG22 THR 123 -9.174 0.899 16.037 1035 HG23 THR 123 HG23 THR 123 -9.683 -0.531 16.941 1036 H LEU 124 H LEU 124 -6.524 -1.421 13.063 1037 HA LEU 124 HA LEU 124 -7.800 -3.287 11.191 1038 HB2 LEU 124 HB3 LEU 124 -5.635 -1.226 10.848 1039 HB3 LEU 124 HB2 LEU 124 -5.944 -2.461 9.644 1040 HG LEU 124 HG LEU 124 -8.016 -0.471 10.567 1041 HD11 LEU 124 HD11 LEU 124 -6.277 -0.423 8.104 1042 HD12 LEU 124 HD12 LEU 124 -6.173 0.688 9.470 1043 HD13 LEU 124 HD13 LEU 124 -7.611 0.677 8.450 1044 HD21 LEU 124 HD21 LEU 124 -9.197 -1.193 8.549 1045 HD22 LEU 124 HD22 LEU 124 -8.925 -2.538 9.657 1046 HD23 LEU 124 HD23 LEU 124 -7.918 -2.363 8.221 1047 H ARG 125 H ARG 125 -6.558 -5.042 10.335 1048 HA ARG 125 HA ARG 125 -4.581 -6.008 12.244 1049 HB2 ARG 125 HB3 ARG 125 -5.679 -7.433 9.816 1050 HB3 ARG 125 HB2 ARG 125 -4.719 -8.143 11.105 1051 HG2 ARG 125 HG3 ARG 125 -6.672 -7.334 12.627 1052 HG3 ARG 125 HG2 ARG 125 -7.579 -7.311 11.111 1053 HD2 ARG 125 HD3 ARG 125 -6.521 -9.694 10.819 1054 HD3 ARG 125 HD2 ARG 125 -6.367 -9.609 12.572 1055 HE ARG 125 HE ARG 125 -8.890 -9.538 11.049 1056 HH11 ARG 125 HH11 ARG 125 -7.215 -9.857 14.118 1057 HH12 ARG 125 HH12 ARG 125 -8.559 -10.623 14.910 1058 HH21 ARG 125 HH22 ARG 125 -10.630 -10.536 12.066 1059 HH22 ARG 125 HH21 ARG 125 -10.526 -10.995 13.739 1060 H LEU 126 H LEU 126 -3.128 -4.299 11.605 1061 HA LEU 126 HA LEU 126 -1.836 -4.547 9.024 1062 HB2 LEU 126 HB3 LEU 126 -1.307 -2.755 11.398 1063 HB3 LEU 126 HB2 LEU 126 -0.431 -2.672 9.879 1064 HG LEU 126 HG LEU 126 -3.415 -2.383 9.921 1065 HD11 LEU 126 HD11 LEU 126 -1.416 -0.176 10.377 1066 HD12 LEU 126 HD12 LEU 126 -2.596 -0.776 11.544 1067 HD13 LEU 126 HD13 LEU 126 -3.143 0.036 10.079 1068 HD21 LEU 126 HD21 LEU 126 -1.249 -1.343 8.100 1069 HD22 LEU 126 HD22 LEU 126 -2.979 -1.070 7.901 1070 HD23 LEU 126 HD23 LEU 126 -2.323 -2.701 7.770 1071 H ILE 127 H ILE 127 -0.535 -6.222 8.789 1072 HA ILE 127 HA ILE 127 1.122 -7.055 11.074 1073 HB ILE 127 HB ILE 127 1.302 -9.251 9.958 1074 HG12 ILE 127 HG13 ILE 127 -0.761 -8.152 8.031 1075 HG13 ILE 127 HG12 ILE 127 0.933 -8.433 7.640 1076 HG21 ILE 127 HG21 ILE 127 -0.390 -8.916 11.660 1077 HG22 ILE 127 HG22 ILE 127 -0.995 -10.000 10.406 1078 HG23 ILE 127 HG23 ILE 127 -1.522 -8.316 10.447 1079 HD11 ILE 127 HD11 ILE 127 0.628 -10.819 8.055 1080 HD12 ILE 127 HD12 ILE 127 -0.469 -10.226 6.809 1081 HD13 ILE 127 HD13 ILE 127 -1.070 -10.531 8.438 1082 H ARG 128 H ARG 128 3.117 -8.348 10.139 1083 HA ARG 128 HA ARG 128 4.494 -6.459 8.373 1084 HB2 ARG 128 HB3 ARG 128 5.430 -6.923 10.644 1085 HB3 ARG 128 HB2 ARG 128 5.658 -8.598 10.165 1086 HG2 ARG 128 HG3 ARG 128 7.263 -7.966 8.504 1087 HG3 ARG 128 HG2 ARG 128 6.947 -6.253 8.791 1088 HD2 ARG 128 HD3 ARG 128 7.788 -6.452 11.056 1089 HD3 ARG 128 HD2 ARG 128 8.028 -8.183 10.838 1090 HE ARG 128 HE ARG 128 9.614 -7.345 8.949 1091 HH11 ARG 128 HH11 ARG 128 9.086 -5.787 12.036 1092 HH12 ARG 128 HH12 ARG 128 10.724 -5.213 12.176 1093 HH21 ARG 128 HH22 ARG 128 11.757 -6.601 9.116 1094 HH22 ARG 128 HH21 ARG 128 12.254 -5.689 10.516 1095 H ILE 129 H ILE 129 4.507 -7.040 6.309 1096 HA ILE 129 HA ILE 129 4.447 -9.902 5.649 1097 HB ILE 129 HB ILE 129 3.582 -7.482 4.071 1098 HG12 ILE 129 HG13 ILE 129 2.120 -9.924 5.103 1099 HG13 ILE 129 HG12 ILE 129 2.005 -8.293 5.755 1100 HG21 ILE 129 HG21 ILE 129 3.731 -10.345 3.133 1101 HG22 ILE 129 HG22 ILE 129 4.711 -9.003 2.542 1102 HG23 ILE 129 HG23 ILE 129 2.970 -9.016 2.259 1103 HD11 ILE 129 HD11 ILE 129 0.070 -8.852 4.404 1104 HD12 ILE 129 HD12 ILE 129 1.113 -9.168 3.017 1105 HD13 ILE 129 HD13 ILE 129 0.988 -7.535 3.673 1106 H ASN 130 H ASN 130 6.158 -10.833 4.814 1107 HA ASN 130 HA ASN 130 8.556 -9.261 4.423 1108 HB2 ASN 130 HB3 ASN 130 8.593 -11.421 5.667 1109 HB3 ASN 130 HB2 ASN 130 8.180 -12.253 4.174 1110 HD21 ASN 130 HD22 ASN 130 10.075 -13.454 4.186 1111 HD22 ASN 130 HD21 ASN 130 11.611 -12.744 3.820 1112 H ASP 131 H ASP 131 9.398 -8.674 2.585 1113 HA ASP 131 HA ASP 131 9.858 -8.415 0.399 1114 HB2 ASP 131 HB3 ASP 131 10.869 -10.663 0.950 1115 HB3 ASP 131 HB2 ASP 131 9.463 -11.400 0.195 1116 H LYS 132 H LYS 132 7.790 -11.181 -0.358 1117 HA LYS 132 HA LYS 132 5.948 -9.322 -1.667 1118 HB2 LYS 132 HB3 LYS 132 7.305 -11.673 -2.987 1119 HB3 LYS 132 HB2 LYS 132 5.918 -10.833 -3.669 1120 HG2 LYS 132 HG3 LYS 132 7.204 -8.771 -3.782 1121 HG3 LYS 132 HG2 LYS 132 8.592 -9.590 -3.062 1122 HD2 LYS 132 HD3 LYS 132 8.612 -11.149 -4.985 1123 HD3 LYS 132 HD2 LYS 132 7.300 -10.220 -5.714 1124 HE2 LYS 132 HE3 LYS 132 8.703 -8.260 -5.834 1125 HE3 LYS 132 HE2 LYS 132 9.996 -9.094 -4.975 1126 HZ1 LYS 132 HZ1 LYS 132 8.960 -9.718 -7.686 1127 HZ2 LYS 132 HZ2 LYS 132 10.069 -10.691 -6.847 1128 HZ3 LYS 132 HZ3 LYS 132 10.493 -9.111 -7.289 1129 H GLY 133 H GLY 133 4.584 -9.841 0.094 1130 HA2 GLY 133 HA3 GLY 133 2.616 -10.811 0.774 1131 HA3 GLY 133 HA2 GLY 133 2.702 -11.845 -0.642 1132 H GLU 134 H GLU 134 5.123 -11.615 1.925 1133 HA GLU 134 HA GLU 134 4.472 -14.412 2.587 1134 HB2 GLU 134 HB3 GLU 134 7.143 -13.006 2.685 1135 HB3 GLU 134 HB2 GLU 134 6.852 -14.641 3.271 1136 HG2 GLU 134 HG3 GLU 134 6.130 -15.278 0.991 1137 HG3 GLU 134 HG2 GLU 134 6.575 -13.664 0.440 1138 H GLN 135 H GLN 135 4.913 -15.070 4.813 1139 HA GLN 135 HA GLN 135 3.886 -12.977 6.581 1140 HB2 GLN 135 HB3 GLN 135 2.708 -15.174 6.344 1141 HB3 GLN 135 HB2 GLN 135 4.107 -15.953 7.068 1142 HG2 GLN 135 HG3 GLN 135 2.369 -15.655 8.709 1143 HG3 GLN 135 HG2 GLN 135 3.759 -14.649 9.112 1144 HE21 GLN 135 HE22 GLN 135 2.485 -13.295 10.376 1145 HE22 GLN 135 HE21 GLN 135 1.391 -12.151 9.677 1146 H VAL 136 H VAL 136 5.197 -11.973 7.954 1147 HA VAL 136 HA VAL 136 7.823 -13.053 8.535 1148 HB VAL 136 HB VAL 136 6.513 -10.491 9.475 1149 HG11 VAL 136 HG11 VAL 136 9.363 -11.437 9.772 1150 HG12 VAL 136 HG12 VAL 136 8.187 -11.258 11.073 1151 HG13 VAL 136 HG13 VAL 136 8.764 -9.836 10.203 1152 HG21 VAL 136 HG21 VAL 136 7.911 -9.376 7.877 1153 HG22 VAL 136 HG22 VAL 136 6.999 -10.635 7.041 1154 HG23 VAL 136 HG23 VAL 136 8.699 -10.893 7.446 1155 H VAL 137 H VAL 137 7.958 -14.572 10.011 1156 HA VAL 137 HA VAL 137 6.219 -14.512 12.359 1157 HB VAL 137 HB VAL 137 7.151 -16.763 12.844 1158 HG11 VAL 137 HG11 VAL 137 6.040 -17.927 10.994 1159 HG12 VAL 137 HG12 VAL 137 6.033 -16.431 10.061 1160 HG13 VAL 137 HG13 VAL 137 5.096 -16.546 11.551 1161 HG21 VAL 137 HG21 VAL 137 8.594 -16.386 10.219 1162 HG22 VAL 137 HG22 VAL 137 8.499 -17.895 11.126 1163 HG23 VAL 137 HG23 VAL 137 9.340 -16.505 11.813 1164 H GLY 138 H GLY 138 7.397 -15.223 14.450 1165 HA2 GLY 138 HA3 GLY 138 9.386 -13.222 14.993 1166 HA3 GLY 138 HA2 GLY 138 8.718 -14.370 16.143 1167 H GLY 139 H GLY 139 10.415 -14.979 13.101 1168 HA2 GLY 139 HA3 GLY 139 12.913 -15.635 14.265 1169 HA3 GLY 139 HA2 GLY 139 11.958 -17.095 14.039 1170 H ASN 140 H ASN 140 11.940 -14.237 11.989 1171 HA ASN 140 HA ASN 140 13.324 -15.756 9.897 1172 HB2 ASN 140 HB3 ASN 140 10.874 -15.923 9.519 1173 HB3 ASN 140 HB2 ASN 140 10.783 -14.166 9.464 1174 HD21 ASN 140 HD22 ASN 140 13.376 -16.106 8.106 1175 HD22 ASN 140 HD21 ASN 140 13.041 -15.723 6.451 1176 H GLU 141 H GLU 141 15.137 -14.603 9.673 1177 HA GLU 141 HA GLU 141 14.917 -11.854 8.791 1178 HB2 GLU 141 HB3 GLU 141 15.132 -11.698 11.267 1179 HB3 GLU 141 HB2 GLU 141 16.652 -12.576 11.163 1180 HG2 GLU 141 HG3 GLU 141 17.514 -10.742 9.701 1181 HG3 GLU 141 HG2 GLU 141 16.038 -9.849 10.058 Start of MODEL 18 1 H MET 1 H MET 1 7.375 27.216 -4.499 2 HA MET 1 HA MET 1 5.587 29.097 -3.069 3 HB2 MET 1 HB3 MET 1 7.815 29.704 -5.032 4 HB3 MET 1 HB2 MET 1 6.814 30.872 -4.180 5 HG2 MET 1 HG3 MET 1 8.832 29.012 -2.947 6 HG3 MET 1 HG2 MET 1 9.014 30.748 -3.189 7 HE1 MET 1 HE1 MET 1 6.312 32.023 -2.367 8 HE2 MET 1 HE2 MET 1 7.872 32.583 -1.765 9 HE3 MET 1 HE3 MET 1 6.548 32.285 -0.639 10 H ARG 2 H ARG 2 4.933 30.706 -5.145 11 HA ARG 2 HA ARG 2 3.395 29.072 -6.902 12 HB2 ARG 2 HB3 ARG 2 3.008 31.555 -6.257 13 HB3 ARG 2 HB2 ARG 2 4.174 31.915 -7.526 14 HG2 ARG 2 HG3 ARG 2 2.763 30.746 -9.147 15 HG3 ARG 2 HG2 ARG 2 1.589 30.410 -7.874 16 HD2 ARG 2 HD3 ARG 2 1.526 32.949 -7.532 17 HD3 ARG 2 HD2 ARG 2 2.333 33.046 -9.097 18 HE ARG 2 HE ARG 2 -0.281 31.725 -8.703 19 HH11 ARG 2 HH11 ARG 2 1.871 33.769 -10.580 20 HH12 ARG 2 HH12 ARG 2 0.685 34.073 -11.816 21 HH21 ARG 2 HH22 ARG 2 -1.801 32.092 -10.334 22 HH22 ARG 2 HH21 ARG 2 -1.389 33.083 -11.705 23 H GLU 3 H GLU 3 6.384 30.909 -7.235 24 HA GLU 3 HA GLU 3 7.127 29.547 -9.673 25 HB2 GLU 3 HB3 GLU 3 7.926 31.812 -9.343 26 HB3 GLU 3 HB2 GLU 3 8.632 31.379 -7.792 27 HG2 GLU 3 HG3 GLU 3 10.167 29.835 -9.004 28 HG3 GLU 3 HG2 GLU 3 9.533 30.484 -10.516 29 H ASP 4 H ASP 4 7.685 27.470 -9.556 30 HA ASP 4 HA ASP 4 8.573 25.494 -8.900 31 HB2 ASP 4 HB3 ASP 4 10.713 26.574 -8.689 32 HB3 ASP 4 HB2 ASP 4 10.274 27.251 -7.125 33 H LYS 5 H LYS 5 7.177 24.230 -7.946 34 HA LYS 5 HA LYS 5 5.676 25.061 -5.672 35 HB2 LYS 5 HB3 LYS 5 5.772 22.428 -7.143 36 HB3 LYS 5 HB2 LYS 5 4.638 22.798 -5.853 37 HG2 LYS 5 HG3 LYS 5 3.738 24.647 -7.200 38 HG3 LYS 5 HG2 LYS 5 4.846 24.213 -8.503 39 HD2 LYS 5 HD3 LYS 5 3.801 22.042 -8.718 40 HD3 LYS 5 HD2 LYS 5 2.758 22.376 -7.334 41 HE2 LYS 5 HE3 LYS 5 1.517 22.693 -9.380 42 HE3 LYS 5 HE2 LYS 5 1.749 24.248 -8.583 43 HZ1 LYS 5 HZ1 LYS 5 3.565 24.721 -10.107 44 HZ2 LYS 5 HZ2 LYS 5 2.134 24.403 -10.960 45 HZ3 LYS 5 HZ3 LYS 5 3.345 23.222 -10.869 46 H ILE 6 H ILE 6 8.420 22.919 -6.153 47 HA ILE 6 HA ILE 6 8.072 21.722 -3.526 48 HB ILE 6 HB ILE 6 10.340 21.214 -5.456 49 HG12 ILE 6 HG13 ILE 6 7.661 19.818 -5.237 50 HG13 ILE 6 HG12 ILE 6 8.189 20.825 -6.581 51 HG21 ILE 6 HG21 ILE 6 10.483 19.061 -4.277 52 HG22 ILE 6 HG22 ILE 6 9.173 19.565 -3.209 53 HG23 ILE 6 HG23 ILE 6 10.715 20.420 -3.176 54 HD11 ILE 6 HD11 ILE 6 8.361 18.479 -7.135 55 HD12 ILE 6 HD12 ILE 6 9.406 18.207 -5.739 56 HD13 ILE 6 HD13 ILE 6 9.961 19.218 -7.073 57 H ALA 7 H ALA 7 8.375 24.285 -3.147 58 HA ALA 7 HA ALA 7 10.725 24.420 -1.516 59 HB1 ALA 7 HB1 ALA 7 11.657 26.460 -2.475 60 HB2 ALA 7 HB2 ALA 7 10.447 26.428 -3.758 61 HB3 ALA 7 HB3 ALA 7 11.667 25.159 -3.667 62 H ALA 8 H ALA 8 9.342 24.713 0.194 63 HA ALA 8 HA ALA 8 7.842 27.235 0.210 64 HB1 ALA 8 HB1 ALA 8 5.971 26.158 1.340 65 HB2 ALA 8 HB2 ALA 8 6.787 24.599 1.229 66 HB3 ALA 8 HB3 ALA 8 6.257 25.421 -0.238 67 H LYS 9 H LYS 9 7.515 28.139 2.283 68 HA LYS 9 HA LYS 9 9.453 27.198 4.285 69 HB2 LYS 9 HB3 LYS 9 8.238 29.943 3.903 70 HB3 LYS 9 HB2 LYS 9 9.408 29.512 5.143 71 HG2 LYS 9 HG3 LYS 9 11.091 29.083 3.486 72 HG3 LYS 9 HG2 LYS 9 9.923 29.325 2.184 73 HD2 LYS 9 HD3 LYS 9 9.645 31.660 2.879 74 HD3 LYS 9 HD2 LYS 9 10.820 31.411 4.172 75 HE2 LYS 9 HE3 LYS 9 12.556 30.947 2.550 76 HE3 LYS 9 HE2 LYS 9 11.393 31.064 1.231 77 HZ1 LYS 9 HZ1 LYS 9 12.737 33.084 1.521 78 HZ2 LYS 9 HZ2 LYS 9 12.080 33.291 3.072 79 HZ3 LYS 9 HZ3 LYS 9 11.076 33.378 1.707 80 H LYS 10 H LYS 10 6.365 26.831 3.621 81 HA LYS 10 HA LYS 10 5.542 26.891 6.440 82 HB2 LYS 10 HB3 LYS 10 3.807 27.418 4.018 83 HB3 LYS 10 HB2 LYS 10 3.208 27.239 5.659 84 HG2 LYS 10 HG3 LYS 10 4.585 29.207 6.307 85 HG3 LYS 10 HG2 LYS 10 4.987 29.422 4.603 86 HD2 LYS 10 HD3 LYS 10 2.574 29.616 4.096 87 HD3 LYS 10 HD2 LYS 10 2.227 29.495 5.822 88 HE2 LYS 10 HE3 LYS 10 3.591 31.516 6.202 89 HE3 LYS 10 HE2 LYS 10 3.836 31.650 4.461 90 HZ1 LYS 10 HZ1 LYS 10 2.069 33.081 4.963 91 HZ2 LYS 10 HZ2 LYS 10 1.311 31.952 5.978 92 HZ3 LYS 10 HZ3 LYS 10 1.327 31.707 4.303 93 H LYS 11 H LYS 11 3.344 25.440 6.455 94 HA LYS 11 HA LYS 11 4.300 22.804 5.728 95 HB2 LYS 11 HB3 LYS 11 1.809 23.647 7.219 96 HB3 LYS 11 HB2 LYS 11 2.374 21.993 7.029 97 HG2 LYS 11 HG3 LYS 11 4.441 22.614 8.246 98 HG3 LYS 11 HG2 LYS 11 3.747 24.212 8.524 99 HD2 LYS 11 HD3 LYS 11 1.886 23.209 9.735 100 HD3 LYS 11 HD2 LYS 11 2.537 21.598 9.423 101 HE2 LYS 11 HE3 LYS 11 3.782 23.784 11.080 102 HE3 LYS 11 HE2 LYS 11 3.131 22.250 11.655 103 HZ1 LYS 11 HZ1 LYS 11 5.458 22.002 11.578 104 HZ2 LYS 11 HZ2 LYS 11 5.571 22.700 10.037 105 HZ3 LYS 11 HZ3 LYS 11 4.873 21.166 10.219 106 H LEU 12 H LEU 12 3.123 21.318 4.482 107 HA LEU 12 HA LEU 12 1.570 22.508 2.356 108 HB2 LEU 12 HB3 LEU 12 2.364 19.637 2.856 109 HB3 LEU 12 HB2 LEU 12 1.569 20.225 1.409 110 HG LEU 12 HG LEU 12 4.332 21.017 2.338 111 HD11 LEU 12 HD11 LEU 12 5.102 19.757 0.395 112 HD12 LEU 12 HD12 LEU 12 3.442 19.272 0.047 113 HD13 LEU 12 HD13 LEU 12 4.230 18.720 1.524 114 HD21 LEU 12 HD21 LEU 12 3.219 22.830 1.152 115 HD22 LEU 12 HD22 LEU 12 2.819 21.734 -0.170 116 HD23 LEU 12 HD23 LEU 12 4.505 22.132 0.166 117 H HIS 13 H HIS 13 -0.575 21.963 1.841 118 HA HIS 13 HA HIS 13 -2.215 21.457 4.150 119 HB2 HIS 13 HB3 HIS 13 -2.971 21.906 1.255 120 HB3 HIS 13 HB2 HIS 13 -4.117 21.797 2.587 121 HD1 HIS 13 HD1 HIS 13 -2.459 24.232 0.622 122 HD2 HIS 13 HD2 HIS 13 -3.358 23.894 4.669 123 HE1 HIS 13 HE1 HIS 13 -2.345 26.572 1.542 124 HE2 HIS 13 HE2 HIS 13 -2.661 26.301 4.031 125 H GLN 14 H GLN 14 -0.778 19.566 1.748 126 HA GLN 14 HA GLN 14 -2.556 17.318 2.389 127 HB2 GLN 14 HB3 GLN 14 -2.157 17.957 -0.063 128 HB3 GLN 14 HB2 GLN 14 -0.518 17.359 0.165 129 HG2 GLN 14 HG3 GLN 14 -1.429 15.165 0.801 130 HG3 GLN 14 HG2 GLN 14 -3.055 15.773 0.497 131 HE21 GLN 14 HE22 GLN 14 -1.759 13.550 -0.769 132 HE22 GLN 14 HE21 GLN 14 -1.674 13.912 -2.455 133 H ASP 15 H ASP 15 -1.794 16.269 4.082 134 HA ASP 15 HA ASP 15 0.910 16.446 4.938 135 HB2 ASP 15 HB3 ASP 15 -0.763 16.250 6.611 136 HB3 ASP 15 HB2 ASP 15 -1.444 14.809 5.865 137 H LYS 16 H LYS 16 2.547 15.000 4.885 138 HA LYS 16 HA LYS 16 2.440 13.038 2.768 139 HB2 LYS 16 HB3 LYS 16 4.672 14.044 4.528 140 HB3 LYS 16 HB2 LYS 16 4.893 12.735 3.378 141 HG2 LYS 16 HG3 LYS 16 3.974 15.507 2.645 142 HG3 LYS 16 HG2 LYS 16 5.640 14.937 2.541 143 HD2 LYS 16 HD3 LYS 16 4.855 13.141 0.998 144 HD3 LYS 16 HD2 LYS 16 3.255 13.886 1.019 145 HE2 LYS 16 HE3 LYS 16 4.224 15.961 0.135 146 HE3 LYS 16 HE2 LYS 16 5.812 15.198 0.094 147 HZ1 LYS 16 HZ1 LYS 16 4.803 15.147 -2.083 148 HZ2 LYS 16 HZ2 LYS 16 3.423 14.367 -1.471 149 HZ3 LYS 16 HZ3 LYS 16 4.920 13.566 -1.488 150 H ARG 17 H ARG 17 2.110 13.058 6.188 151 HA ARG 17 HA ARG 17 2.989 10.373 6.654 152 HB2 ARG 17 HB3 ARG 17 2.771 12.174 8.417 153 HB3 ARG 17 HB2 ARG 17 1.028 11.963 8.319 154 HG2 ARG 17 HG3 ARG 17 1.300 9.610 8.984 155 HG3 ARG 17 HG2 ARG 17 3.035 9.877 9.149 156 HD2 ARG 17 HD3 ARG 17 2.126 10.055 11.325 157 HD3 ARG 17 HD2 ARG 17 2.481 11.700 10.801 158 HE ARG 17 HE ARG 17 -0.195 11.037 10.180 159 HH11 ARG 17 HH11 ARG 17 1.862 11.882 12.897 160 HH12 ARG 17 HH12 ARG 17 0.540 12.484 13.860 161 HH21 ARG 17 HH22 ARG 17 -1.924 11.793 11.459 162 HH22 ARG 17 HH21 ARG 17 -1.608 12.405 13.058 163 H VAL 18 H VAL 18 0.143 11.845 5.431 164 HA VAL 18 HA VAL 18 -1.732 9.787 5.855 165 HB VAL 18 HB VAL 18 -1.584 11.791 3.591 166 HG11 VAL 18 HG11 VAL 18 -3.047 9.933 3.005 167 HG12 VAL 18 HG12 VAL 18 -3.987 11.392 3.314 168 HG13 VAL 18 HG13 VAL 18 -3.913 10.117 4.530 169 HG21 VAL 18 HG21 VAL 18 -1.684 12.856 5.763 170 HG22 VAL 18 HG22 VAL 18 -3.067 11.860 6.210 171 HG23 VAL 18 HG23 VAL 18 -3.220 13.051 4.918 172 H HIS 19 H HIS 19 0.990 9.997 3.796 173 HA HIS 19 HA HIS 19 0.360 8.510 1.565 174 HB2 HIS 19 HB3 HIS 19 2.526 9.612 1.919 175 HB3 HIS 19 HB2 HIS 19 2.932 8.433 3.156 176 HD1 HIS 19 HD1 HIS 19 4.010 6.288 2.406 177 HD2 HIS 19 HD2 HIS 19 2.475 8.526 -0.758 178 HE1 HIS 19 HE1 HIS 19 4.878 5.198 0.306 179 HE2 HIS 19 HE2 HIS 19 4.130 6.707 -1.573 180 H GLU 20 H GLU 20 0.965 7.365 4.823 181 HA GLU 20 HA GLU 20 1.149 4.609 4.023 182 HB2 GLU 20 HB3 GLU 20 0.857 5.778 6.793 183 HB3 GLU 20 HB2 GLU 20 1.356 4.138 6.397 184 HG2 GLU 20 HG3 GLU 20 2.855 6.700 5.977 185 HG3 GLU 20 HG2 GLU 20 3.335 5.276 6.902 186 H LEU 21 H LEU 21 -1.278 6.618 5.681 187 HA LEU 21 HA LEU 21 -3.123 4.460 5.979 188 HB2 LEU 21 HB3 LEU 21 -3.578 7.443 6.115 189 HB3 LEU 21 HB2 LEU 21 -4.793 6.239 6.501 190 HG LEU 21 HG LEU 21 -3.154 5.404 8.289 191 HD11 LEU 21 HD11 LEU 21 -1.166 6.575 7.514 192 HD12 LEU 21 HD12 LEU 21 -1.592 7.075 9.151 193 HD13 LEU 21 HD13 LEU 21 -1.961 8.127 7.784 194 HD21 LEU 21 HD21 LEU 21 -5.219 6.579 8.798 195 HD22 LEU 21 HD22 LEU 21 -4.417 8.129 8.547 196 HD23 LEU 21 HD23 LEU 21 -3.930 7.090 9.886 197 H ALA 22 H ALA 22 -2.525 6.908 3.550 198 HA ALA 22 HA ALA 22 -4.837 6.494 1.981 199 HB1 ALA 22 HB1 ALA 22 -3.379 8.433 1.683 200 HB2 ALA 22 HB2 ALA 22 -3.582 7.549 0.170 201 HB3 ALA 22 HB3 ALA 22 -2.092 7.380 1.097 202 H ARG 23 H ARG 23 -1.898 4.675 2.349 203 HA ARG 23 HA ARG 23 -2.078 3.122 -0.014 204 HB2 ARG 23 HB3 ARG 23 -0.220 3.336 1.948 205 HB3 ARG 23 HB2 ARG 23 -1.001 1.837 2.439 206 HG2 ARG 23 HG3 ARG 23 -0.588 0.934 0.173 207 HG3 ARG 23 HG2 ARG 23 0.294 2.410 -0.217 208 HD2 ARG 23 HD3 ARG 23 0.996 0.390 1.911 209 HD3 ARG 23 HD2 ARG 23 1.842 0.648 0.390 210 HE ARG 23 HE ARG 23 1.837 2.494 2.689 211 HH11 ARG 23 HH11 ARG 23 3.220 1.477 -0.373 212 HH12 ARG 23 HH12 ARG 23 4.697 2.374 -0.144 213 HH21 ARG 23 HH22 ARG 23 3.811 3.620 3.006 214 HH22 ARG 23 HH21 ARG 23 5.040 3.557 1.760 215 H VAL 24 H VAL 24 -3.282 2.697 3.281 216 HA VAL 24 HA VAL 24 -4.735 0.304 2.793 217 HB VAL 24 HB VAL 24 -5.125 2.418 4.929 218 HG11 VAL 24 HG11 VAL 24 -6.237 -0.386 4.792 219 HG12 VAL 24 HG12 VAL 24 -7.164 1.108 4.642 220 HG13 VAL 24 HG13 VAL 24 -6.371 0.711 6.167 221 HG21 VAL 24 HG21 VAL 24 -3.932 0.840 6.379 222 HG22 VAL 24 HG22 VAL 24 -2.935 1.358 5.019 223 HG23 VAL 24 HG23 VAL 24 -3.692 -0.236 5.002 224 H LYS 25 H LYS 25 -5.498 3.736 2.595 225 HA LYS 25 HA LYS 25 -8.268 3.522 2.214 226 HB2 LYS 25 HB3 LYS 25 -6.925 5.635 2.657 227 HB3 LYS 25 HB2 LYS 25 -6.527 5.629 0.944 228 HG2 LYS 25 HG3 LYS 25 -8.997 5.630 0.476 229 HG3 LYS 25 HG2 LYS 25 -9.244 5.911 2.200 230 HD2 LYS 25 HD3 LYS 25 -9.300 8.048 1.232 231 HD3 LYS 25 HD2 LYS 25 -7.681 7.912 1.922 232 HE2 LYS 25 HE3 LYS 25 -7.498 8.875 -0.267 233 HE3 LYS 25 HE2 LYS 25 -6.847 7.237 -0.319 234 HZ1 LYS 25 HZ1 LYS 25 -8.861 6.457 -1.348 235 HZ2 LYS 25 HZ2 LYS 25 -8.288 7.793 -2.227 236 HZ3 LYS 25 HZ3 LYS 25 -9.597 7.975 -1.167 237 H PHE 26 H PHE 26 -5.585 3.473 -0.122 238 HA PHE 26 HA PHE 26 -7.197 3.362 -2.425 239 HB2 PHE 26 HB3 PHE 26 -4.799 3.839 -2.582 240 HB3 PHE 26 HB2 PHE 26 -4.424 2.211 -2.019 241 HD1 PHE 26 HD1 PHE 26 -6.474 3.854 -4.678 242 HD2 PHE 26 HD2 PHE 26 -3.861 0.665 -3.619 243 HE1 PHE 26 HE1 PHE 26 -6.560 3.022 -6.992 244 HE2 PHE 26 HE2 PHE 26 -3.941 -0.169 -5.933 245 HZ PHE 26 HZ PHE 26 -5.297 0.999 -7.622 246 H MET 27 H MET 27 -5.844 0.792 -0.371 247 HA MET 27 HA MET 27 -6.877 -1.438 -1.667 248 HB2 MET 27 HB3 MET 27 -6.590 -0.855 1.278 249 HB3 MET 27 HB2 MET 27 -7.119 -2.415 0.670 250 HG2 MET 27 HG3 MET 27 -5.010 -2.682 -0.512 251 HG3 MET 27 HG2 MET 27 -4.481 -1.101 0.065 252 HE1 MET 27 HE1 MET 27 -2.332 -3.785 2.076 253 HE2 MET 27 HE2 MET 27 -2.260 -2.470 0.901 254 HE3 MET 27 HE3 MET 27 -2.974 -4.019 0.450 255 H GLN 28 H GLN 28 -8.426 0.649 0.733 256 HA GLN 28 HA GLN 28 -10.917 -0.571 0.876 257 HB2 GLN 28 HB3 GLN 28 -10.146 1.235 2.375 258 HB3 GLN 28 HB2 GLN 28 -10.294 2.382 1.051 259 HG2 GLN 28 HG3 GLN 28 -12.752 1.626 0.961 260 HG3 GLN 28 HG2 GLN 28 -12.447 0.967 2.567 261 HE21 GLN 28 HE22 GLN 28 -14.251 3.071 1.827 262 HE22 GLN 28 HE21 GLN 28 -13.757 4.480 2.696 263 H ASP 29 H ASP 29 -9.926 2.165 -1.177 264 HA ASP 29 HA ASP 29 -12.338 2.566 -2.491 265 HB2 ASP 29 HB3 ASP 29 -9.514 3.000 -3.485 266 HB3 ASP 29 HB2 ASP 29 -10.942 3.548 -4.353 267 H VAL 30 H VAL 30 -9.666 0.418 -3.354 268 HA VAL 30 HA VAL 30 -10.635 -0.445 -5.832 269 HB VAL 30 HB VAL 30 -8.844 -1.836 -3.839 270 HG11 VAL 30 HG11 VAL 30 -9.885 -3.514 -5.269 271 HG12 VAL 30 HG12 VAL 30 -8.175 -3.324 -5.663 272 HG13 VAL 30 HG13 VAL 30 -9.406 -2.602 -6.701 273 HG21 VAL 30 HG21 VAL 30 -7.071 -1.164 -5.401 274 HG22 VAL 30 HG22 VAL 30 -7.942 0.224 -4.749 275 HG23 VAL 30 HG23 VAL 30 -8.272 -0.334 -6.389 276 H VAL 31 H VAL 31 -11.113 -1.881 -2.598 277 HA VAL 31 HA VAL 31 -12.733 -3.994 -3.783 278 HB VAL 31 HB VAL 31 -12.811 -4.928 -1.472 279 HG11 VAL 31 HG11 VAL 31 -10.063 -4.339 -2.563 280 HG12 VAL 31 HG12 VAL 31 -11.123 -5.652 -3.075 281 HG13 VAL 31 HG13 VAL 31 -10.471 -5.632 -1.436 282 HG21 VAL 31 HG21 VAL 31 -10.939 -2.643 -0.865 283 HG22 VAL 31 HG22 VAL 31 -11.277 -4.002 0.207 284 HG23 VAL 31 HG23 VAL 31 -12.562 -2.867 -0.211 285 H ASN 32 H ASN 32 -13.431 -0.936 -2.866 286 HA ASN 32 HA ASN 32 -16.079 -1.722 -1.846 287 HB2 ASN 32 HB3 ASN 32 -14.714 -0.169 -0.414 288 HB3 ASN 32 HB2 ASN 32 -14.850 1.034 -1.694 289 HD21 ASN 32 HD22 ASN 32 -15.955 2.438 -0.306 290 HD22 ASN 32 HD21 ASN 32 -17.608 2.172 0.146 291 H SER 33 H SER 33 -14.400 -0.193 -4.451 292 HA SER 33 HA SER 33 -16.894 0.782 -5.619 293 HB2 SER 33 HB3 SER 33 -15.444 1.698 -7.401 294 HB3 SER 33 HB2 SER 33 -14.921 2.239 -5.806 295 HG SER 33 HG SER 33 -13.183 0.950 -5.907 296 H ASP 34 H ASP 34 -17.054 0.234 -8.101 297 HA ASP 34 HA ASP 34 -17.302 -2.626 -8.175 298 HB2 ASP 34 HB3 ASP 34 -18.953 -0.996 -9.179 299 HB3 ASP 34 HB2 ASP 34 -17.779 -0.710 -10.459 300 H THR 35 H THR 35 -14.728 -0.652 -8.691 301 HA THR 35 HA THR 35 -13.429 -1.606 -10.952 302 HB THR 35 HB THR 35 -12.172 -0.895 -8.286 303 HG1 THR 35 HG1 THR 35 -13.110 0.648 -10.476 304 HG21 THR 35 HG21 THR 35 -10.616 -2.015 -9.836 305 HG22 THR 35 HG22 THR 35 -10.190 -0.319 -9.587 306 HG23 THR 35 HG23 THR 35 -11.003 -0.818 -11.073 307 H PHE 36 H PHE 36 -13.296 -2.868 -7.615 308 HA PHE 36 HA PHE 36 -12.840 -5.531 -8.752 309 HB2 PHE 36 HB3 PHE 36 -11.181 -4.155 -6.674 310 HB3 PHE 36 HB2 PHE 36 -11.385 -5.903 -6.599 311 HD1 PHE 36 HD2 PHE 36 -9.954 -3.120 -8.507 312 HD2 PHE 36 HD1 PHE 36 -10.400 -7.344 -8.252 313 HE1 PHE 36 HE2 PHE 36 -8.161 -3.405 -10.166 314 HE2 PHE 36 HE1 PHE 36 -8.606 -7.636 -9.911 315 HZ PHE 36 HZ PHE 36 -7.485 -5.665 -10.872 316 H LYS 37 H LYS 37 -15.149 -4.045 -7.599 317 HA LYS 37 HA LYS 37 -15.945 -4.949 -5.114 318 HB2 LYS 37 HB3 LYS 37 -17.170 -3.341 -6.577 319 HB3 LYS 37 HB2 LYS 37 -17.696 -4.692 -7.564 320 HG2 LYS 37 HG3 LYS 37 -18.903 -5.622 -5.654 321 HG3 LYS 37 HG2 LYS 37 -18.375 -4.258 -4.663 322 HD2 LYS 37 HD3 LYS 37 -19.515 -2.720 -6.212 323 HD3 LYS 37 HD2 LYS 37 -20.076 -4.102 -7.151 324 HE2 LYS 37 HE3 LYS 37 -21.828 -3.309 -5.673 325 HE3 LYS 37 HE2 LYS 37 -21.304 -4.922 -5.194 326 HZ1 LYS 37 HZ1 LYS 37 -20.229 -2.472 -3.926 327 HZ2 LYS 37 HZ2 LYS 37 -20.157 -4.066 -3.352 328 HZ3 LYS 37 HZ3 LYS 37 -21.631 -3.231 -3.363 329 H GLY 38 H GLY 38 -15.792 -6.687 -8.145 330 HA2 GLY 38 HA3 GLY 38 -17.396 -8.903 -7.435 331 HA3 GLY 38 HA2 GLY 38 -16.171 -8.881 -8.695 332 H GLN 39 H GLN 39 -14.023 -8.148 -6.843 333 HA GLN 39 HA GLN 39 -13.815 -10.665 -5.330 334 HB2 GLN 39 HB3 GLN 39 -12.255 -10.646 -7.215 335 HB3 GLN 39 HB2 GLN 39 -11.601 -9.104 -6.679 336 HG2 GLN 39 HG3 GLN 39 -10.705 -10.119 -4.693 337 HG3 GLN 39 HG2 GLN 39 -11.475 -11.655 -5.088 338 HE21 GLN 39 HE22 GLN 39 -9.999 -9.645 -7.517 339 HE22 GLN 39 HE21 GLN 39 -8.656 -10.684 -7.840 340 HA PRO 40 HA PRO 40 -13.761 -7.310 -2.264 341 HB2 PRO 40 HB2 PRO 40 -14.916 -8.699 -0.261 342 HB3 PRO 40 HB3 PRO 40 -15.848 -8.007 -1.594 343 HG2 PRO 40 HG3 PRO 40 -14.950 -10.827 -1.172 344 HG3 PRO 40 HG2 PRO 40 -16.499 -10.223 -1.785 345 HD2 PRO 40 HD3 PRO 40 -14.485 -11.176 -3.384 346 HD3 PRO 40 HD2 PRO 40 -15.704 -10.003 -3.920 347 H ILE 41 H ILE 41 -12.431 -10.512 -2.102 348 HA ILE 41 HA ILE 41 -10.654 -9.657 0.089 349 HB ILE 41 HB ILE 41 -11.368 -12.524 -0.540 350 HG12 ILE 41 HG13 ILE 41 -13.406 -11.412 0.192 351 HG13 ILE 41 HG12 ILE 41 -12.805 -12.455 1.476 352 HG21 ILE 41 HG21 ILE 41 -9.228 -12.100 0.621 353 HG22 ILE 41 HG22 ILE 41 -10.377 -13.007 1.607 354 HG23 ILE 41 HG23 ILE 41 -10.119 -11.287 1.912 355 HD11 ILE 41 HD11 ILE 41 -13.594 -10.372 2.391 356 HD12 ILE 41 HD12 ILE 41 -12.521 -9.466 1.325 357 HD13 ILE 41 HD13 ILE 41 -11.846 -10.490 2.590 358 H PHE 42 H PHE 42 -8.495 -9.794 -0.281 359 HA PHE 42 HA PHE 42 -7.691 -10.872 -2.898 360 HB2 PHE 42 HB3 PHE 42 -6.520 -8.627 -1.257 361 HB3 PHE 42 HB2 PHE 42 -5.693 -9.336 -2.636 362 HD1 PHE 42 HD1 PHE 42 -8.273 -9.733 -4.295 363 HD2 PHE 42 HD2 PHE 42 -6.661 -6.434 -2.145 364 HE1 PHE 42 HE1 PHE 42 -9.430 -8.183 -5.813 365 HE2 PHE 42 HE2 PHE 42 -7.821 -4.879 -3.657 366 HZ PHE 42 HZ PHE 42 -9.207 -5.752 -5.494 367 H ASP 43 H ASP 43 -5.798 -12.064 -3.070 368 HA ASP 43 HA ASP 43 -4.840 -13.353 -0.653 369 HB2 ASP 43 HB3 ASP 43 -5.162 -14.730 -2.644 370 HB3 ASP 43 HB2 ASP 43 -4.095 -13.688 -3.575 371 H HIS 44 H HIS 44 -2.407 -13.492 -0.318 372 HA HIS 44 HA HIS 44 -1.267 -10.956 -0.028 373 HB2 HIS 44 HB3 HIS 44 0.014 -13.689 -0.063 374 HB3 HIS 44 HB2 HIS 44 0.907 -12.219 0.307 375 HD1 HIS 44 HD1 HIS 44 0.795 -14.371 2.427 376 HD2 HIS 44 HD2 HIS 44 -2.020 -11.313 2.157 377 HE1 HIS 44 HE1 HIS 44 -0.202 -14.160 4.721 378 HE2 HIS 44 HE2 HIS 44 -1.996 -12.404 4.515 379 H ALA 45 H ALA 45 -1.412 -12.986 -2.803 380 HA ALA 45 HA ALA 45 0.741 -12.043 -4.312 381 HB1 ALA 45 HB1 ALA 45 -0.569 -12.688 -6.273 382 HB2 ALA 45 HB2 ALA 45 -2.017 -12.805 -5.273 383 HB3 ALA 45 HB3 ALA 45 -0.670 -13.913 -5.009 384 H HIS 46 H HIS 46 -2.450 -10.633 -3.713 385 HA HIS 46 HA HIS 46 -1.983 -8.442 -5.531 386 HB2 HIS 46 HB3 HIS 46 -4.160 -8.984 -3.520 387 HB3 HIS 46 HB2 HIS 46 -4.053 -7.461 -4.394 388 HD1 HIS 46 HD1 HIS 46 -4.101 -7.773 -7.143 389 HD2 HIS 46 HD2 HIS 46 -5.557 -10.899 -4.807 390 HE1 HIS 46 HE1 HIS 46 -5.545 -9.149 -8.666 391 HE2 HIS 46 HE2 HIS 46 -6.234 -11.145 -7.294 392 H THR 47 H THR 47 -1.208 -9.168 -2.275 393 HA THR 47 HA THR 47 -0.904 -6.566 -1.256 394 HB THR 47 HB THR 47 0.696 -9.056 -0.624 395 HG1 THR 47 HG1 THR 47 -1.491 -7.840 0.753 396 HG21 THR 47 HG21 THR 47 1.253 -7.853 1.489 397 HG22 THR 47 HG22 THR 47 0.544 -6.393 0.795 398 HG23 THR 47 HG23 THR 47 1.966 -7.127 0.048 399 H ARG 48 H ARG 48 1.629 -8.735 -2.579 400 HA ARG 48 HA ARG 48 3.574 -6.708 -2.773 401 HB2 ARG 48 HB3 ARG 48 4.854 -8.229 -4.135 402 HB3 ARG 48 HB2 ARG 48 4.081 -9.144 -2.850 403 HG2 ARG 48 HG3 ARG 48 2.433 -9.997 -4.374 404 HG3 ARG 48 HG2 ARG 48 3.041 -8.962 -5.670 405 HD2 ARG 48 HD3 ARG 48 5.250 -10.140 -5.419 406 HD3 ARG 48 HD2 ARG 48 4.435 -11.280 -4.349 407 HE ARG 48 HE ARG 48 3.051 -11.926 -6.238 408 HH11 ARG 48 HH11 ARG 48 5.940 -10.078 -6.928 409 HH12 ARG 48 HH12 ARG 48 6.051 -10.614 -8.575 410 HH21 ARG 48 HH22 ARG 48 3.198 -12.659 -8.403 411 HH22 ARG 48 HH21 ARG 48 4.499 -12.097 -9.414 412 H GLU 49 H GLU 49 1.000 -7.703 -4.863 413 HA GLU 49 HA GLU 49 1.726 -6.399 -7.230 414 HB2 GLU 49 HB3 GLU 49 -0.089 -8.069 -6.959 415 HB3 GLU 49 HB2 GLU 49 -1.035 -6.865 -6.098 416 HG2 GLU 49 HG3 GLU 49 -1.158 -5.497 -8.082 417 HG3 GLU 49 HG2 GLU 49 -0.127 -6.637 -8.954 418 H PHE 50 H PHE 50 -0.604 -5.286 -4.751 419 HA PHE 50 HA PHE 50 -0.732 -2.689 -5.939 420 HB2 PHE 50 HB3 PHE 50 -1.953 -3.926 -3.495 421 HB3 PHE 50 HB2 PHE 50 -2.077 -2.194 -3.780 422 HD1 PHE 50 HD2 PHE 50 -2.998 -1.472 -6.070 423 HD2 PHE 50 HD1 PHE 50 -3.522 -5.362 -4.432 424 HE1 PHE 50 HE2 PHE 50 -4.926 -1.828 -7.552 425 HE2 PHE 50 HE1 PHE 50 -5.455 -5.728 -5.915 426 HZ PHE 50 HZ PHE 50 -6.159 -3.952 -7.477 427 H ILE 51 H ILE 51 0.855 -4.013 -3.054 428 HA ILE 51 HA ILE 51 1.535 -1.520 -1.927 429 HB ILE 51 HB ILE 51 2.889 -4.192 -1.576 430 HG12 ILE 51 HG13 ILE 51 0.561 -4.153 -0.818 431 HG13 ILE 51 HG12 ILE 51 1.654 -4.235 0.558 432 HG21 ILE 51 HG21 ILE 51 3.212 -1.659 0.031 433 HG22 ILE 51 HG22 ILE 51 4.424 -2.375 -1.032 434 HG23 ILE 51 HG23 ILE 51 3.915 -3.229 0.426 435 HD11 ILE 51 HD11 ILE 51 -0.187 -2.714 0.982 436 HD12 ILE 51 HD12 ILE 51 0.253 -1.766 -0.439 437 HD13 ILE 51 HD13 ILE 51 1.347 -1.844 0.943 438 H GLN 52 H GLN 52 3.442 -3.736 -3.981 439 HA GLN 52 HA GLN 52 5.749 -2.120 -4.043 440 HB2 GLN 52 HB3 GLN 52 5.827 -4.474 -4.671 441 HB3 GLN 52 HB2 GLN 52 4.783 -4.164 -6.050 442 HG2 GLN 52 HG3 GLN 52 7.039 -4.387 -6.810 443 HG3 GLN 52 HG2 GLN 52 6.535 -2.712 -7.006 444 HE21 GLN 52 HE22 GLN 52 8.610 -1.918 -7.015 445 HE22 GLN 52 HE21 GLN 52 9.605 -1.882 -5.603 446 H SER 53 H SER 53 3.001 -2.361 -6.311 447 HA SER 53 HA SER 53 4.096 -0.474 -8.127 448 HB2 SER 53 HB3 SER 53 1.260 -1.460 -7.796 449 HB3 SER 53 HB2 SER 53 1.838 -0.493 -9.155 450 HG SER 53 HG SER 53 3.549 -2.398 -9.046 451 H PHE 54 H PHE 54 2.151 -0.142 -5.241 452 HA PHE 54 HA PHE 54 1.368 2.548 -5.621 453 HB2 PHE 54 HB3 PHE 54 0.530 1.005 -3.803 454 HB3 PHE 54 HB2 PHE 54 2.069 1.239 -2.981 455 HD1 PHE 54 HD1 PHE 54 -1.065 2.848 -4.013 456 HD2 PHE 54 HD2 PHE 54 2.552 3.273 -1.812 457 HE1 PHE 54 HE1 PHE 54 -1.968 4.862 -2.924 458 HE2 PHE 54 HE2 PHE 54 1.656 5.286 -0.719 459 HZ PHE 54 HZ PHE 54 -0.605 6.083 -1.274 460 H ILE 55 H ILE 55 4.281 1.017 -4.390 461 HA ILE 55 HA ILE 55 5.685 3.429 -3.812 462 HB ILE 55 HB ILE 55 6.821 0.706 -4.486 463 HG12 ILE 55 HG13 ILE 55 6.211 1.905 -1.773 464 HG13 ILE 55 HG12 ILE 55 5.236 0.671 -2.565 465 HG21 ILE 55 HG21 ILE 55 8.450 2.509 -4.667 466 HG22 ILE 55 HG22 ILE 55 8.802 1.482 -3.276 467 HG23 ILE 55 HG23 ILE 55 8.040 3.056 -3.041 468 HD11 ILE 55 HD11 ILE 55 6.695 -0.289 -0.874 469 HD12 ILE 55 HD12 ILE 55 8.105 0.368 -1.704 470 HD13 ILE 55 HD13 ILE 55 7.122 -0.872 -2.482 471 H GLU 56 H GLU 56 5.519 1.232 -6.580 472 HA GLU 56 HA GLU 56 7.490 2.380 -8.191 473 HB2 GLU 56 HB3 GLU 56 4.969 0.935 -9.012 474 HB3 GLU 56 HB2 GLU 56 6.315 1.289 -10.085 475 HG2 GLU 56 HG3 GLU 56 7.780 -0.085 -8.686 476 HG3 GLU 56 HG2 GLU 56 6.416 -0.452 -7.631 477 H ARG 57 H ARG 57 4.376 3.576 -7.407 478 HA ARG 57 HA ARG 57 3.885 5.259 -9.600 479 HB2 ARG 57 HB3 ARG 57 3.114 5.314 -6.709 480 HB3 ARG 57 HB2 ARG 57 2.743 6.695 -7.733 481 HG2 ARG 57 HG3 ARG 57 1.291 5.479 -9.068 482 HG3 ARG 57 HG2 ARG 57 1.966 3.931 -8.557 483 HD2 ARG 57 HD3 ARG 57 0.960 4.112 -6.407 484 HD3 ARG 57 HD2 ARG 57 0.488 5.786 -6.704 485 HE ARG 57 HE ARG 57 -1.436 4.960 -7.574 486 HH11 ARG 57 HH11 ARG 57 1.063 2.542 -8.116 487 HH12 ARG 57 HH12 ARG 57 0.022 1.489 -9.025 488 HH21 ARG 57 HH22 ARG 57 -2.805 3.545 -8.742 489 HH22 ARG 57 HH21 ARG 57 -2.175 2.047 -9.352 490 H ASP 58 H ASP 58 6.414 5.323 -7.377 491 HA ASP 58 HA ASP 58 6.906 8.103 -7.178 492 HB2 ASP 58 HB3 ASP 58 9.029 7.522 -6.294 493 HB3 ASP 58 HB2 ASP 58 7.940 6.244 -5.767 494 H ASP 59 H ASP 59 7.480 5.751 -9.661 495 HA ASP 59 HA ASP 59 9.558 7.043 -11.053 496 HB2 ASP 59 HB3 ASP 59 9.289 5.434 -12.661 497 HB3 ASP 59 HB2 ASP 59 8.399 4.658 -11.359 498 H THR 60 H THR 60 6.114 7.525 -10.997 499 HA THR 60 HA THR 60 6.011 9.199 -13.314 500 HB THR 60 HB THR 60 4.001 9.002 -11.066 501 HG1 THR 60 HG1 THR 60 4.850 7.073 -12.651 502 HG21 THR 60 HG21 THR 60 3.687 9.733 -13.983 503 HG22 THR 60 HG22 THR 60 3.629 10.861 -12.627 504 HG23 THR 60 HG23 THR 60 2.385 9.621 -12.799 505 H GLU 61 H GLU 61 6.325 9.688 -9.851 506 HA GLU 61 HA GLU 61 6.185 12.548 -9.969 507 HB2 GLU 61 HB3 GLU 61 5.645 11.214 -7.935 508 HB3 GLU 61 HB2 GLU 61 7.336 10.758 -7.814 509 HG2 GLU 61 HG3 GLU 61 7.989 12.980 -7.310 510 HG3 GLU 61 HG2 GLU 61 6.397 13.611 -7.732 511 H LEU 62 H LEU 62 8.699 10.104 -9.996 512 HA LEU 62 HA LEU 62 10.959 11.767 -9.993 513 HB2 LEU 62 HB3 LEU 62 11.147 9.387 -9.652 514 HB3 LEU 62 HB2 LEU 62 10.466 9.061 -11.233 515 HG LEU 62 HG LEU 62 12.475 10.070 -12.277 516 HD11 LEU 62 HD11 LEU 62 13.139 11.561 -10.475 517 HD12 LEU 62 HD12 LEU 62 14.456 10.468 -10.902 518 HD13 LEU 62 HD13 LEU 62 13.505 10.175 -9.445 519 HD21 LEU 62 HD21 LEU 62 12.316 7.662 -11.949 520 HD22 LEU 62 HD22 LEU 62 13.015 7.825 -10.338 521 HD23 LEU 62 HD23 LEU 62 13.979 8.216 -11.763 522 H ASP 63 H ASP 63 9.066 10.430 -12.701 523 HA ASP 63 HA ASP 63 10.567 11.583 -14.764 524 HB2 ASP 63 HB3 ASP 63 8.944 9.813 -15.194 525 HB3 ASP 63 HB2 ASP 63 7.625 10.882 -14.731 526 H GLU 64 H GLU 64 7.937 12.891 -12.823 527 HA GLU 64 HA GLU 64 7.512 15.269 -14.238 528 HB2 GLU 64 HB3 GLU 64 7.047 14.339 -11.472 529 HB3 GLU 64 HB2 GLU 64 7.135 16.082 -11.684 530 HG2 GLU 64 HG3 GLU 64 5.355 14.352 -13.366 531 HG3 GLU 64 HG2 GLU 64 4.844 15.013 -11.814 532 H LEU 65 H LEU 65 9.780 14.575 -11.586 533 HA LEU 65 HA LEU 65 10.999 17.134 -11.574 534 HB2 LEU 65 HB3 LEU 65 12.091 14.460 -10.695 535 HB3 LEU 65 HB2 LEU 65 12.821 16.011 -10.327 536 HG LEU 65 HG LEU 65 10.097 15.102 -9.395 537 HD11 LEU 65 HD11 LEU 65 11.898 13.866 -8.316 538 HD12 LEU 65 HD12 LEU 65 11.134 14.984 -7.186 539 HD13 LEU 65 HD13 LEU 65 12.698 15.381 -7.897 540 HD21 LEU 65 HD21 LEU 65 10.172 17.103 -7.988 541 HD22 LEU 65 HD22 LEU 65 10.214 17.511 -9.703 542 HD23 LEU 65 HD23 LEU 65 11.694 17.575 -8.746 543 H LYS 66 H LYS 66 11.318 14.387 -13.579 544 HA LYS 66 HA LYS 66 13.946 15.129 -14.588 545 HB2 LYS 66 HB3 LYS 66 13.321 12.776 -14.036 546 HB3 LYS 66 HB2 LYS 66 12.121 12.829 -15.313 547 HG2 LYS 66 HG3 LYS 66 13.798 12.977 -16.989 548 HG3 LYS 66 HG2 LYS 66 15.065 13.213 -15.778 549 HD2 LYS 66 HD3 LYS 66 14.745 10.995 -14.922 550 HD3 LYS 66 HD2 LYS 66 13.333 10.753 -15.950 551 HE2 LYS 66 HE3 LYS 66 16.136 11.208 -16.954 552 HE3 LYS 66 HE2 LYS 66 15.375 9.627 -16.782 553 HZ1 LYS 66 HZ1 LYS 66 14.530 11.831 -18.582 554 HZ2 LYS 66 HZ2 LYS 66 13.619 10.424 -18.322 555 HZ3 LYS 66 HZ3 LYS 66 15.158 10.322 -19.032 556 H LYS 67 H LYS 67 10.731 15.787 -15.242 557 HA LYS 67 HA LYS 67 11.171 16.208 -18.103 558 HB2 LYS 67 HB3 LYS 67 9.120 15.025 -17.197 559 HB3 LYS 67 HB2 LYS 67 8.614 16.574 -16.542 560 HG2 LYS 67 HG3 LYS 67 8.385 17.512 -18.709 561 HG3 LYS 67 HG2 LYS 67 9.169 16.118 -19.460 562 HD2 LYS 67 HD3 LYS 67 7.295 14.706 -18.568 563 HD3 LYS 67 HD2 LYS 67 6.489 16.199 -18.085 564 HE2 LYS 67 HE3 LYS 67 6.340 16.934 -20.351 565 HE3 LYS 67 HE2 LYS 67 7.374 15.617 -20.902 566 HZ1 LYS 67 HZ1 LYS 67 5.092 15.112 -21.386 567 HZ2 LYS 67 HZ2 LYS 67 4.642 15.350 -19.766 568 HZ3 LYS 67 HZ3 LYS 67 5.648 14.052 -20.181 569 H LYS 68 H LYS 68 10.861 17.897 -15.109 570 HA LYS 68 HA LYS 68 10.365 20.475 -16.330 571 HB2 LYS 68 HB3 LYS 68 11.081 19.809 -13.467 572 HB3 LYS 68 HB2 LYS 68 10.456 21.345 -14.054 573 HG2 LYS 68 HG3 LYS 68 8.364 20.256 -14.688 574 HG3 LYS 68 HG2 LYS 68 8.991 18.716 -14.098 575 HD2 LYS 68 HD3 LYS 68 9.306 19.897 -11.859 576 HD3 LYS 68 HD2 LYS 68 8.290 21.177 -12.525 577 HE2 LYS 68 HE3 LYS 68 7.549 18.277 -12.167 578 HE3 LYS 68 HE2 LYS 68 6.931 19.645 -11.245 579 HZ1 LYS 68 HZ1 LYS 68 5.870 20.492 -13.221 580 HZ2 LYS 68 HZ2 LYS 68 5.385 18.884 -12.966 581 HZ3 LYS 68 HZ3 LYS 68 6.528 19.244 -14.163 582 H ARG 69 H ARG 69 12.652 19.193 -17.289 583 HA ARG 69 HA ARG 69 15.088 20.012 -16.188 584 HB2 ARG 69 HB3 ARG 69 14.396 19.671 -19.112 585 HB3 ARG 69 HB2 ARG 69 16.008 19.613 -18.411 586 HG2 ARG 69 HG3 ARG 69 15.584 17.568 -17.339 587 HG3 ARG 69 HG2 ARG 69 13.844 17.703 -17.597 588 HD2 ARG 69 HD3 ARG 69 15.917 17.339 -19.759 589 HD3 ARG 69 HD2 ARG 69 14.880 16.069 -19.111 590 HE ARG 69 HE ARG 69 14.006 18.357 -20.754 591 HH11 ARG 69 HH11 ARG 69 13.333 15.249 -19.254 592 HH12 ARG 69 HH12 ARG 69 11.893 14.973 -20.188 593 HH21 ARG 69 HH22 ARG 69 12.099 17.977 -21.974 594 HH22 ARG 69 HH21 ARG 69 11.201 16.505 -21.725 595 H ARG 70 H ARG 70 12.702 21.753 -18.005 596 HA ARG 70 HA ARG 70 12.499 23.896 -18.716 597 HB2 ARG 70 HB3 ARG 70 14.723 24.468 -16.739 598 HB3 ARG 70 HB2 ARG 70 13.598 25.642 -17.409 599 HG2 ARG 70 HG3 ARG 70 11.750 24.551 -16.271 600 HG3 ARG 70 HG2 ARG 70 12.851 23.332 -15.628 601 HD2 ARG 70 HD3 ARG 70 12.523 24.902 -13.892 602 HD3 ARG 70 HD2 ARG 70 14.125 25.224 -14.551 603 HE ARG 70 HE ARG 70 11.760 26.824 -15.315 604 HH11 ARG 70 HH11 ARG 70 15.089 26.613 -14.231 605 HH12 ARG 70 HH12 ARG 70 15.327 28.332 -14.231 606 HH21 ARG 70 HH22 ARG 70 12.074 29.062 -15.326 607 HH22 ARG 70 HH21 ARG 70 13.618 29.730 -14.882 608 H SER 71 H SER 71 14.883 25.794 -18.713 609 HA SER 71 HA SER 71 16.176 24.685 -21.110 610 HB2 SER 71 HB3 SER 71 16.032 27.569 -20.198 611 HB3 SER 71 HB2 SER 71 16.633 26.983 -21.750 612 HG SER 71 HG SER 71 14.416 26.045 -21.960 613 H ASN 72 H ASN 72 16.791 24.405 -18.098 614 HA ASN 72 HA ASN 72 19.580 25.346 -18.225 615 HB2 ASN 72 HB3 ASN 72 17.901 24.807 -15.761 616 HB3 ASN 72 HB2 ASN 72 19.587 25.301 -15.751 617 HD21 ASN 72 HD22 ASN 72 19.147 27.161 -18.015 618 HD22 ASN 72 HD21 ASN 72 18.318 28.514 -17.329 619 H ARG 73 H ARG 73 18.323 23.091 -15.880 620 HA ARG 73 HA ARG 73 19.284 20.717 -17.155 621 HB2 ARG 73 HB3 ARG 73 20.862 22.033 -14.957 622 HB3 ARG 73 HB2 ARG 73 20.810 20.281 -15.062 623 HG2 ARG 73 HG3 ARG 73 21.754 20.370 -17.301 624 HG3 ARG 73 HG2 ARG 73 21.768 22.133 -17.233 625 HD2 ARG 73 HD3 ARG 73 23.323 22.063 -15.358 626 HD3 ARG 73 HD2 ARG 73 23.281 20.300 -15.374 627 HE ARG 73 HE ARG 73 24.431 20.343 -17.478 628 HH11 ARG 73 HH11 ARG 73 24.304 23.402 -15.770 629 HH12 ARG 73 HH12 ARG 73 25.588 24.112 -16.705 630 HH21 ARG 73 HH22 ARG 73 26.138 21.260 -18.674 631 HH22 ARG 73 HH21 ARG 73 26.629 22.900 -18.345 632 HA PRO 74 HA PRO 74 16.250 19.011 -14.362 633 HB2 PRO 74 HB2 PRO 74 18.019 16.661 -14.051 634 HB3 PRO 74 HB3 PRO 74 16.362 16.746 -14.655 635 HG2 PRO 74 HG3 PRO 74 18.426 16.300 -16.303 636 HG3 PRO 74 HG2 PRO 74 17.030 17.273 -16.805 637 HD2 PRO 74 HD3 PRO 74 19.753 18.163 -15.939 638 HD3 PRO 74 HD2 PRO 74 18.710 18.808 -17.226 639 HA PRO 75 HA PRO 75 17.741 19.985 -10.292 640 HB2 PRO 75 HB2 PRO 75 15.693 18.077 -9.326 641 HB3 PRO 75 HB3 PRO 75 15.891 19.795 -8.962 642 HG2 PRO 75 HG3 PRO 75 13.925 18.940 -10.556 643 HG3 PRO 75 HG2 PRO 75 14.770 20.468 -10.873 644 HD2 PRO 75 HD3 PRO 75 15.086 17.809 -12.207 645 HD3 PRO 75 HD2 PRO 75 15.104 19.437 -12.917 646 H SER 76 H SER 76 19.751 18.971 -10.204 647 HA SER 76 HA SER 76 20.122 16.173 -10.169 648 HB2 SER 76 HB3 SER 76 22.019 18.306 -9.160 649 HB3 SER 76 HB2 SER 76 22.443 16.667 -9.656 650 HG SER 76 HG SER 76 22.018 18.904 -11.175 651 H ASN 77 H ASN 77 19.552 18.508 -7.643 652 HA ASN 77 HA ASN 77 20.326 16.740 -5.503 653 HB2 ASN 77 HB3 ASN 77 20.488 19.176 -5.221 654 HB3 ASN 77 HB2 ASN 77 18.749 19.327 -5.449 655 HD21 ASN 77 HD22 ASN 77 18.298 20.193 -3.468 656 HD22 ASN 77 HD21 ASN 77 18.489 19.322 -1.979 657 H ARG 78 H ARG 78 17.251 18.012 -6.743 658 HA ARG 78 HA ARG 78 15.665 16.598 -4.851 659 HB2 ARG 78 HB3 ARG 78 14.853 17.902 -7.450 660 HB3 ARG 78 HB2 ARG 78 13.751 17.369 -6.188 661 HG2 ARG 78 HG3 ARG 78 14.712 18.985 -4.644 662 HG3 ARG 78 HG2 ARG 78 15.854 19.503 -5.887 663 HD2 ARG 78 HD3 ARG 78 13.941 20.150 -7.313 664 HD3 ARG 78 HD2 ARG 78 12.850 19.720 -5.998 665 HE ARG 78 HE ARG 78 14.763 21.568 -5.070 666 HH11 ARG 78 HH11 ARG 78 11.966 21.394 -7.165 667 HH12 ARG 78 HH12 ARG 78 11.510 23.056 -6.926 668 HH21 ARG 78 HH22 ARG 78 14.173 23.757 -4.751 669 HH22 ARG 78 HH21 ARG 78 12.764 24.394 -5.566 670 H GLN 79 H GLN 79 16.583 15.941 -8.201 671 HA GLN 79 HA GLN 79 14.681 13.935 -8.711 672 HB2 GLN 79 HB3 GLN 79 16.140 15.155 -10.385 673 HB3 GLN 79 HB2 GLN 79 17.444 14.078 -9.909 674 HG2 GLN 79 HG3 GLN 79 16.136 12.159 -10.639 675 HG3 GLN 79 HG2 GLN 79 14.811 13.229 -11.091 676 HE21 GLN 79 HE22 GLN 79 15.068 14.605 -12.872 677 HE22 GLN 79 HE21 GLN 79 16.265 14.304 -14.079 678 H VAL 80 H VAL 80 17.969 13.772 -7.426 679 HA VAL 80 HA VAL 80 17.977 10.916 -7.237 680 HB VAL 80 HB VAL 80 19.769 12.914 -5.839 681 HG11 VAL 80 HG11 VAL 80 19.830 10.734 -4.765 682 HG12 VAL 80 HG12 VAL 80 21.334 11.029 -5.637 683 HG13 VAL 80 HG13 VAL 80 20.114 9.955 -6.322 684 HG21 VAL 80 HG21 VAL 80 21.360 12.433 -7.644 685 HG22 VAL 80 HG22 VAL 80 19.872 13.153 -8.258 686 HG23 VAL 80 HG23 VAL 80 20.151 11.420 -8.433 687 H LEU 81 H LEU 81 17.111 13.566 -5.116 688 HA LEU 81 HA LEU 81 16.933 12.150 -2.695 689 HB2 LEU 81 HB3 LEU 81 16.875 14.610 -2.871 690 HB3 LEU 81 HB2 LEU 81 15.298 14.512 -3.630 691 HG LEU 81 HG LEU 81 14.388 13.521 -1.546 692 HD11 LEU 81 HD11 LEU 81 17.115 14.151 -0.426 693 HD12 LEU 81 HD12 LEU 81 16.457 12.537 -0.699 694 HD13 LEU 81 HD13 LEU 81 15.715 13.602 0.496 695 HD21 LEU 81 HD21 LEU 81 14.413 15.587 -0.246 696 HD22 LEU 81 HD22 LEU 81 14.214 15.920 -1.967 697 HD23 LEU 81 HD23 LEU 81 15.779 16.174 -1.195 698 H LEU 82 H LEU 82 14.711 12.518 -5.390 699 HA LEU 82 HA LEU 82 12.422 11.364 -4.257 700 HB2 LEU 82 HB3 LEU 82 12.678 12.554 -6.503 701 HB3 LEU 82 HB2 LEU 82 13.296 11.043 -7.129 702 HG LEU 82 HG LEU 82 10.875 11.533 -7.626 703 HD11 LEU 82 HD11 LEU 82 10.104 9.255 -7.209 704 HD12 LEU 82 HD12 LEU 82 11.453 8.999 -6.101 705 HD13 LEU 82 HD13 LEU 82 11.760 9.277 -7.815 706 HD21 LEU 82 HD21 LEU 82 9.248 11.094 -5.847 707 HD22 LEU 82 HD22 LEU 82 10.247 12.503 -5.498 708 HD23 LEU 82 HD23 LEU 82 10.565 10.973 -4.681 709 H GLN 83 H GLN 83 15.152 9.901 -5.986 710 HA GLN 83 HA GLN 83 14.303 7.238 -5.922 711 HB2 GLN 83 HB3 GLN 83 16.191 7.939 -7.284 712 HB3 GLN 83 HB2 GLN 83 17.104 8.374 -5.845 713 HG2 GLN 83 HG3 GLN 83 17.033 5.987 -5.155 714 HG3 GLN 83 HG2 GLN 83 16.280 5.611 -6.705 715 HE21 GLN 83 HE22 GLN 83 18.841 4.732 -5.582 716 HE22 GLN 83 HE21 GLN 83 20.043 5.210 -6.734 717 H GLN 84 H GLN 84 16.072 9.158 -3.550 718 HA GLN 84 HA GLN 84 16.686 7.017 -1.808 719 HB2 GLN 84 HB3 GLN 84 16.434 9.960 -1.166 720 HB3 GLN 84 HB2 GLN 84 17.247 8.752 -0.177 721 HG2 GLN 84 HG3 GLN 84 18.804 8.336 -2.061 722 HG3 GLN 84 HG2 GLN 84 18.042 9.664 -2.931 723 HE21 GLN 84 HE22 GLN 84 20.780 9.330 -2.059 724 HE22 GLN 84 HE21 GLN 84 21.148 10.686 -1.048 725 H ARG 85 H ARG 85 13.808 8.839 -2.330 726 HA ARG 85 HA ARG 85 12.585 8.099 0.167 727 HB2 ARG 85 HB3 ARG 85 11.394 9.189 -2.389 728 HB3 ARG 85 HB2 ARG 85 10.480 8.911 -0.911 729 HG2 ARG 85 HG3 ARG 85 12.785 10.821 -1.255 730 HG3 ARG 85 HG2 ARG 85 11.080 11.245 -1.091 731 HD2 ARG 85 HD3 ARG 85 11.019 10.412 1.150 732 HD3 ARG 85 HD2 ARG 85 12.636 9.731 0.997 733 HE ARG 85 HE ARG 85 12.135 12.646 0.909 734 HH11 ARG 85 HH11 ARG 85 13.860 9.858 2.135 735 HH12 ARG 85 HH12 ARG 85 14.997 10.792 3.059 736 HH21 ARG 85 HH22 ARG 85 13.629 13.892 2.133 737 HH22 ARG 85 HH21 ARG 85 14.872 13.091 3.047 738 H ARG 86 H ARG 86 12.666 6.863 -3.131 739 HA ARG 86 HA ARG 86 10.925 4.673 -2.751 740 HB2 ARG 86 HB3 ARG 86 11.563 5.184 -4.993 741 HB3 ARG 86 HB2 ARG 86 13.276 5.106 -4.601 742 HG2 ARG 86 HG3 ARG 86 13.016 2.677 -4.177 743 HG3 ARG 86 HG2 ARG 86 11.344 2.799 -4.717 744 HD2 ARG 86 HD3 ARG 86 13.655 3.664 -6.430 745 HD3 ARG 86 HD2 ARG 86 13.067 2.003 -6.415 746 HE ARG 86 HE ARG 86 11.184 4.186 -7.010 747 HH11 ARG 86 HH11 ARG 86 13.030 1.396 -8.078 748 HH12 ARG 86 HH12 ARG 86 12.122 1.197 -9.545 749 HH21 ARG 86 HH22 ARG 86 9.954 3.901 -8.895 750 HH22 ARG 86 HH21 ARG 86 10.368 2.629 -10.017 751 H ASP 87 H ASP 87 14.406 5.091 -2.269 752 HA ASP 87 HA ASP 87 15.138 2.549 -1.479 753 HB2 ASP 87 HB3 ASP 87 16.115 5.274 -0.697 754 HB3 ASP 87 HB2 ASP 87 16.766 3.851 0.109 755 H GLN 88 H GLN 88 13.743 5.133 0.512 756 HA GLN 88 HA GLN 88 13.827 3.758 2.960 757 HB2 GLN 88 HB3 GLN 88 13.455 6.151 2.883 758 HB3 GLN 88 HB2 GLN 88 11.950 5.925 2.005 759 HG2 GLN 88 HG3 GLN 88 10.940 4.872 3.929 760 HG3 GLN 88 HG2 GLN 88 12.464 4.960 4.809 761 HE21 GLN 88 HE22 GLN 88 9.823 6.088 5.439 762 HE22 GLN 88 HE21 GLN 88 10.086 7.792 5.634 763 H GLU 89 H GLU 89 11.164 4.085 0.618 764 HA GLU 89 HA GLU 89 9.244 2.547 1.892 765 HB2 GLU 89 HB3 GLU 89 9.859 2.944 -1.033 766 HB3 GLU 89 HB2 GLU 89 8.479 2.002 -0.494 767 HG2 GLU 89 HG3 GLU 89 8.851 4.791 0.496 768 HG3 GLU 89 HG2 GLU 89 8.194 4.502 -1.113 769 H LEU 90 H LEU 90 11.697 1.450 -0.452 770 HA LEU 90 HA LEU 90 10.922 -1.272 -0.321 771 HB2 LEU 90 HB3 LEU 90 13.253 0.198 -1.450 772 HB3 LEU 90 HB2 LEU 90 13.382 -1.538 -1.253 773 HG LEU 90 HG LEU 90 12.701 -1.051 -3.507 774 HD11 LEU 90 HD11 LEU 90 10.626 -2.330 -3.637 775 HD12 LEU 90 HD12 LEU 90 10.379 -2.111 -1.905 776 HD13 LEU 90 HD13 LEU 90 11.756 -3.047 -2.488 777 HD21 LEU 90 HD21 LEU 90 10.367 0.425 -2.302 778 HD22 LEU 90 HD22 LEU 90 10.601 0.089 -4.016 779 HD23 LEU 90 HD23 LEU 90 11.725 1.147 -3.164 780 H LYS 91 H LYS 91 13.335 0.612 1.439 781 HA LYS 91 HA LYS 91 14.684 -1.534 2.655 782 HB2 LYS 91 HB3 LYS 91 15.578 0.729 2.708 783 HB3 LYS 91 HB2 LYS 91 14.208 1.276 3.665 784 HG2 LYS 91 HG3 LYS 91 14.931 -0.291 5.465 785 HG3 LYS 91 HG2 LYS 91 16.381 -0.621 4.515 786 HD2 LYS 91 HD3 LYS 91 17.058 1.681 4.650 787 HD3 LYS 91 HD2 LYS 91 15.541 2.122 5.438 788 HE2 LYS 91 HE3 LYS 91 16.162 0.581 7.307 789 HE3 LYS 91 HE2 LYS 91 17.735 0.374 6.539 790 HZ1 LYS 91 HZ1 LYS 91 16.629 2.998 7.372 791 HZ2 LYS 91 HZ2 LYS 91 18.203 2.680 6.824 792 HZ3 LYS 91 HZ3 LYS 91 17.685 2.077 8.324 793 H GLU 92 H GLU 92 11.939 0.411 3.781 794 HA GLU 92 HA GLU 92 11.626 -1.070 6.199 795 HB2 GLU 92 HB3 GLU 92 10.938 1.271 6.009 796 HB3 GLU 92 HB2 GLU 92 9.750 0.835 4.791 797 HG2 GLU 92 HG3 GLU 92 8.354 -0.175 6.324 798 HG3 GLU 92 HG2 GLU 92 9.642 -0.388 7.511 799 H PHE 93 H PHE 93 10.329 -1.284 2.974 800 HA PHE 93 HA PHE 93 8.178 -3.034 3.463 801 HB2 PHE 93 HB3 PHE 93 8.540 -1.757 1.361 802 HB3 PHE 93 HB2 PHE 93 9.899 -2.806 0.983 803 HD1 PHE 93 HD1 PHE 93 6.503 -3.606 2.289 804 HD2 PHE 93 HD2 PHE 93 9.311 -4.004 -0.881 805 HE1 PHE 93 HE1 PHE 93 4.968 -5.139 1.128 806 HE2 PHE 93 HE2 PHE 93 7.783 -5.538 -2.047 807 HZ PHE 93 HZ PHE 93 5.609 -6.106 -1.042 808 H LYS 94 H LYS 94 11.608 -3.616 2.799 809 HA LYS 94 HA LYS 94 11.219 -6.494 2.930 810 HB2 LYS 94 HB3 LYS 94 13.603 -4.748 2.381 811 HB3 LYS 94 HB2 LYS 94 13.776 -6.477 2.663 812 HG2 LYS 94 HG3 LYS 94 12.281 -6.931 0.786 813 HG3 LYS 94 HG2 LYS 94 12.116 -5.198 0.501 814 HD2 LYS 94 HD3 LYS 94 14.435 -5.003 -0.058 815 HD3 LYS 94 HD2 LYS 94 14.748 -6.667 0.441 816 HE2 LYS 94 HE3 LYS 94 14.600 -6.383 -2.020 817 HE3 LYS 94 HE2 LYS 94 13.417 -7.518 -1.372 818 HZ1 LYS 94 HZ1 LYS 94 12.853 -4.675 -2.018 819 HZ2 LYS 94 HZ2 LYS 94 11.726 -5.841 -1.509 820 HZ3 LYS 94 HZ3 LYS 94 12.472 -5.984 -3.022 821 H ALA 95 H ALA 95 11.427 -4.145 5.176 822 HA ALA 95 HA ALA 95 12.862 -5.836 7.104 823 HB1 ALA 95 HB1 ALA 95 12.925 -3.854 8.543 824 HB2 ALA 95 HB2 ALA 95 12.030 -2.942 7.327 825 HB3 ALA 95 HB3 ALA 95 13.654 -3.532 6.969 826 H GLY 96 H GLY 96 9.955 -5.798 5.945 827 HA2 GLY 96 HA3 GLY 96 8.079 -6.844 6.917 828 HA3 GLY 96 HA2 GLY 96 8.689 -6.405 8.508 829 H PHE 97 H PHE 97 7.025 -5.253 5.653 830 HA PHE 97 HA PHE 97 6.568 -2.633 6.788 831 HB2 PHE 97 HB3 PHE 97 6.878 -3.207 4.290 832 HB3 PHE 97 HB2 PHE 97 5.205 -3.752 4.345 833 HD1 PHE 97 HD1 PHE 97 7.433 -0.859 4.642 834 HD2 PHE 97 HD2 PHE 97 3.398 -2.194 4.470 835 HE1 PHE 97 HE1 PHE 97 6.686 1.456 4.304 836 HE2 PHE 97 HE2 PHE 97 2.643 0.122 4.132 837 HZ PHE 97 HZ PHE 97 4.289 1.949 4.048 838 H LEU 98 H LEU 98 4.617 -1.847 7.549 839 HA LEU 98 HA LEU 98 2.919 -3.828 8.750 840 HB2 LEU 98 HB3 LEU 98 3.626 -1.734 9.899 841 HB3 LEU 98 HB2 LEU 98 2.647 -0.822 8.766 842 HG LEU 98 HG LEU 98 0.631 -2.013 9.607 843 HD11 LEU 98 HD11 LEU 98 0.797 -3.258 11.709 844 HD12 LEU 98 HD12 LEU 98 2.553 -3.106 11.658 845 HD13 LEU 98 HD13 LEU 98 1.713 -4.035 10.418 846 HD21 LEU 98 HD21 LEU 98 0.518 -0.811 11.740 847 HD22 LEU 98 HD22 LEU 98 1.218 0.186 10.464 848 HD23 LEU 98 HD23 LEU 98 2.262 -0.549 11.680 849 H CYS 99 H CYS 99 1.606 -4.845 7.357 850 HA CYS 99 HA CYS 99 -0.291 -3.180 5.839 851 HB2 CYS 99 HB3 CYS 99 0.970 -5.778 4.924 852 HB3 CYS 99 HB2 CYS 99 -0.293 -4.902 4.063 853 HG CYS 99 HG CYS 99 2.189 -2.848 4.643 854 HA PRO 100 HA PRO 100 -3.328 -5.856 7.733 855 HB2 PRO 100 HB2 PRO 100 -5.242 -5.487 5.645 856 HB3 PRO 100 HB3 PRO 100 -5.160 -4.647 7.192 857 HG2 PRO 100 HG3 PRO 100 -4.728 -3.485 4.708 858 HG3 PRO 100 HG2 PRO 100 -4.207 -2.811 6.262 859 HD2 PRO 100 HD3 PRO 100 -2.633 -4.301 4.215 860 HD3 PRO 100 HD2 PRO 100 -2.129 -2.979 5.288 861 H ASP 101 H ASP 101 -4.064 -7.974 7.588 862 HA ASP 101 HA ASP 101 -3.045 -9.530 5.397 863 HB2 ASP 101 HB3 ASP 101 -3.089 -10.433 7.715 864 HB3 ASP 101 HB2 ASP 101 -4.851 -10.440 7.647 865 H LEU 102 H LEU 102 -4.029 -9.288 3.531 866 HA LEU 102 HA LEU 102 -6.672 -8.413 3.196 867 HB2 LEU 102 HB3 LEU 102 -4.887 -9.806 1.207 868 HB3 LEU 102 HB2 LEU 102 -6.343 -8.912 0.820 869 HG LEU 102 HG LEU 102 -3.788 -7.765 1.946 870 HD11 LEU 102 HD11 LEU 102 -5.119 -7.563 -0.748 871 HD12 LEU 102 HD12 LEU 102 -3.593 -8.365 -0.376 872 HD13 LEU 102 HD13 LEU 102 -3.722 -6.611 -0.240 873 HD21 LEU 102 HD21 LEU 102 -4.852 -5.591 1.682 874 HD22 LEU 102 HD22 LEU 102 -5.759 -6.592 2.814 875 HD23 LEU 102 HD23 LEU 102 -6.348 -6.369 1.168 876 H SER 103 H SER 103 -5.483 -11.556 3.814 877 HA SER 103 HA SER 103 -7.641 -12.868 2.388 878 HB2 SER 103 HB3 SER 103 -6.497 -14.956 3.423 879 HB3 SER 103 HB2 SER 103 -5.657 -14.071 2.151 880 HG SER 103 HG SER 103 -5.203 -13.320 4.821 881 H ASP 104 H ASP 104 -7.550 -11.290 5.220 882 HA ASP 104 HA ASP 104 -9.373 -13.188 6.525 883 HB2 ASP 104 HB3 ASP 104 -7.557 -12.196 7.926 884 HB3 ASP 104 HB2 ASP 104 -8.264 -10.606 7.652 885 H ALA 105 H ALA 105 -11.387 -12.986 5.837 886 HA ALA 105 HA ALA 105 -12.305 -10.756 4.370 887 HB1 ALA 105 HB1 ALA 105 -13.907 -12.986 5.611 888 HB2 ALA 105 HB2 ALA 105 -13.142 -13.026 4.023 889 HB3 ALA 105 HB3 ALA 105 -14.455 -11.892 4.341 890 H LYS 106 H LYS 106 -12.377 -11.487 7.745 891 HA LYS 106 HA LYS 106 -14.557 -9.762 8.420 892 HB2 LYS 106 HB3 LYS 106 -13.731 -11.726 9.783 893 HB3 LYS 106 HB2 LYS 106 -12.339 -10.748 10.223 894 HG2 LYS 106 HG3 LYS 106 -13.825 -9.112 11.267 895 HG3 LYS 106 HG2 LYS 106 -15.216 -10.108 10.834 896 HD2 LYS 106 HD3 LYS 106 -14.248 -11.959 12.165 897 HD3 LYS 106 HD2 LYS 106 -12.944 -10.881 12.661 898 HE2 LYS 106 HE3 LYS 106 -15.885 -10.548 13.230 899 HE3 LYS 106 HE2 LYS 106 -14.627 -10.974 14.389 900 HZ1 LYS 106 HZ1 LYS 106 -15.103 -8.674 14.631 901 HZ2 LYS 106 HZ2 LYS 106 -14.955 -8.391 12.963 902 HZ3 LYS 106 HZ3 LYS 106 -13.584 -8.790 13.881 903 H ASN 107 H ASN 107 -11.014 -9.545 8.736 904 HA ASN 107 HA ASN 107 -11.017 -6.819 9.529 905 HB2 ASN 107 HB3 ASN 107 -8.908 -8.687 8.511 906 HB3 ASN 107 HB2 ASN 107 -8.558 -6.968 8.655 907 HD21 ASN 107 HD22 ASN 107 -10.288 -6.617 10.971 908 HD22 ASN 107 HD21 ASN 107 -9.455 -7.328 12.304 909 H MET 108 H MET 108 -10.994 -8.405 6.384 910 HA MET 108 HA MET 108 -10.473 -6.066 4.889 911 HB2 MET 108 HB3 MET 108 -11.927 -8.604 4.170 912 HB3 MET 108 HB2 MET 108 -11.685 -7.291 3.025 913 HG2 MET 108 HG3 MET 108 -9.551 -8.896 4.406 914 HG3 MET 108 HG2 MET 108 -9.999 -8.967 2.704 915 HE1 MET 108 HE1 MET 108 -9.452 -7.079 0.935 916 HE2 MET 108 HE2 MET 108 -8.757 -5.512 1.355 917 HE3 MET 108 HE3 MET 108 -10.384 -5.932 1.898 918 H GLU 109 H GLU 109 -13.397 -7.278 6.415 919 HA GLU 109 HA GLU 109 -15.147 -5.441 5.138 920 HB2 GLU 109 HB3 GLU 109 -15.323 -7.059 7.650 921 HB3 GLU 109 HB2 GLU 109 -16.511 -5.799 7.341 922 HG2 GLU 109 HG3 GLU 109 -15.923 -8.209 5.645 923 HG3 GLU 109 HG2 GLU 109 -17.390 -7.875 6.567 924 H PHE 110 H PHE 110 -13.183 -5.286 8.072 925 HA PHE 110 HA PHE 110 -13.894 -2.660 8.832 926 HB2 PHE 110 HB3 PHE 110 -11.371 -4.269 9.207 927 HB3 PHE 110 HB2 PHE 110 -11.496 -2.612 9.782 928 HD1 PHE 110 HD1 PHE 110 -12.905 -2.045 11.645 929 HD2 PHE 110 HD2 PHE 110 -12.599 -6.057 10.267 930 HE1 PHE 110 HE1 PHE 110 -13.922 -2.836 13.741 931 HE2 PHE 110 HE2 PHE 110 -13.618 -6.857 12.359 932 HZ PHE 110 HZ PHE 110 -14.281 -5.248 14.099 933 H LEU 111 H LEU 111 -11.585 -3.916 6.514 934 HA LEU 111 HA LEU 111 -10.323 -1.433 5.956 935 HB2 LEU 111 HB3 LEU 111 -9.349 -3.718 5.622 936 HB3 LEU 111 HB2 LEU 111 -10.416 -3.921 4.248 937 HG LEU 111 HG LEU 111 -8.522 -1.601 4.298 938 HD11 LEU 111 HD11 LEU 111 -7.158 -3.542 4.874 939 HD12 LEU 111 HD12 LEU 111 -6.819 -2.994 3.232 940 HD13 LEU 111 HD13 LEU 111 -7.819 -4.424 3.498 941 HD21 LEU 111 HD21 LEU 111 -8.587 -1.921 1.888 942 HD22 LEU 111 HD22 LEU 111 -10.221 -1.762 2.534 943 HD23 LEU 111 HD23 LEU 111 -9.600 -3.352 2.091 944 H ARG 112 H ARG 112 -12.897 -3.275 4.332 945 HA ARG 112 HA ARG 112 -13.216 -1.471 2.155 946 HB2 ARG 112 HB3 ARG 112 -15.175 -3.445 3.351 947 HB3 ARG 112 HB2 ARG 112 -15.395 -2.614 1.817 948 HG2 ARG 112 HG3 ARG 112 -13.430 -3.720 0.914 949 HG3 ARG 112 HG2 ARG 112 -13.160 -4.527 2.459 950 HD2 ARG 112 HD3 ARG 112 -14.241 -6.058 0.956 951 HD3 ARG 112 HD2 ARG 112 -15.375 -5.609 2.229 952 HE ARG 112 HE ARG 112 -15.441 -4.362 -0.447 953 HH11 ARG 112 HH11 ARG 112 -17.017 -5.976 2.242 954 HH12 ARG 112 HH12 ARG 112 -18.616 -5.762 1.591 955 HH21 ARG 112 HH22 ARG 112 -17.536 -4.133 -1.325 956 HH22 ARG 112 HH21 ARG 112 -18.907 -4.740 -0.458 957 H ASN 113 H ASN 113 -14.308 -1.473 5.417 958 HA ASN 113 HA ASN 113 -16.197 0.712 4.854 959 HB2 ASN 113 HB3 ASN 113 -16.763 -1.562 6.125 960 HB3 ASN 113 HB2 ASN 113 -16.109 -0.675 7.496 961 HD21 ASN 113 HD22 ASN 113 -18.829 -1.632 6.808 962 HD22 ASN 113 HD21 ASN 113 -19.847 -0.241 6.949 963 H TRP 114 H TRP 114 -13.204 0.708 5.191 964 HA TRP 114 HA TRP 114 -12.517 1.909 7.653 965 HB2 TRP 114 HB3 TRP 114 -10.942 0.784 6.051 966 HB3 TRP 114 HB2 TRP 114 -11.102 2.173 4.988 967 HD1 TRP 114 HD1 TRP 114 -9.813 1.354 8.554 968 HE1 TRP 114 HE1 TRP 114 -7.894 2.989 9.094 969 HE3 TRP 114 HE3 TRP 114 -10.004 4.270 4.358 970 HZ2 TRP 114 HZ2 TRP 114 -6.633 5.205 7.908 971 HZ3 TRP 114 HZ3 TRP 114 -8.403 6.122 4.139 972 HH2 TRP 114 HH2 TRP 114 -6.753 6.582 5.878 973 H ASN 115 H ASN 115 -11.827 4.116 7.983 974 HA ASN 115 HA ASN 115 -12.867 6.141 6.176 975 HB2 ASN 115 HB3 ASN 115 -14.728 5.526 7.787 976 HB3 ASN 115 HB2 ASN 115 -13.699 6.105 9.091 977 HD21 ASN 115 HD22 ASN 115 -15.120 7.724 9.678 978 HD22 ASN 115 HD21 ASN 115 -15.388 9.135 8.701 979 H GLY 116 H GLY 116 -12.294 8.397 7.240 980 HA2 GLY 116 HA3 GLY 116 -9.477 8.371 7.710 981 HA3 GLY 116 HA2 GLY 116 -10.523 9.781 7.748 982 H THR 117 H THR 117 -9.970 6.836 9.658 983 HA THR 117 HA THR 117 -9.805 8.497 12.079 984 HB THR 117 HB THR 117 -11.267 5.847 11.899 985 HG1 THR 117 HG1 THR 117 -12.293 8.502 12.221 986 HG21 THR 117 HG21 THR 117 -10.231 6.250 14.083 987 HG22 THR 117 HG22 THR 117 -11.989 6.349 14.185 988 HG23 THR 117 HG23 THR 117 -11.021 7.823 14.171 989 H PHE 118 H PHE 118 -7.871 8.204 12.966 990 HA PHE 118 HA PHE 118 -6.062 6.192 12.171 991 HB2 PHE 118 HB3 PHE 118 -5.427 8.416 13.115 992 HB3 PHE 118 HB2 PHE 118 -5.972 7.863 14.693 993 HD1 PHE 118 HD2 PHE 118 -3.439 7.420 12.067 994 HD2 PHE 118 HD1 PHE 118 -4.632 6.405 16.024 995 HE1 PHE 118 HE2 PHE 118 -1.207 6.478 12.496 996 HE2 PHE 118 HE1 PHE 118 -2.402 5.464 16.458 997 HZ PHE 118 HZ PHE 118 -0.685 5.499 14.692 998 H GLY 119 H GLY 119 -8.440 6.341 14.704 999 HA2 GLY 119 HA3 GLY 119 -7.476 4.298 16.379 1000 HA3 GLY 119 HA2 GLY 119 -9.150 4.817 16.260 1001 H LEU 120 H LEU 120 -8.974 4.132 13.274 1002 HA LEU 120 HA LEU 120 -9.995 1.480 13.556 1003 HB2 LEU 120 HB3 LEU 120 -9.491 3.246 11.180 1004 HB3 LEU 120 HB2 LEU 120 -10.049 1.593 11.005 1005 HG LEU 120 HG LEU 120 -11.500 3.794 12.477 1006 HD11 LEU 120 HD11 LEU 120 -13.138 3.572 10.655 1007 HD12 LEU 120 HD12 LEU 120 -12.059 2.435 9.844 1008 HD13 LEU 120 HD13 LEU 120 -11.562 4.112 10.077 1009 HD21 LEU 120 HD21 LEU 120 -11.835 1.559 13.470 1010 HD22 LEU 120 HD22 LEU 120 -12.351 0.958 11.895 1011 HD23 LEU 120 HD23 LEU 120 -13.305 2.190 12.721 1012 H LEU 121 H LEU 121 -6.882 2.723 13.190 1013 HA LEU 121 HA LEU 121 -5.806 0.396 11.857 1014 HB2 LEU 121 HB3 LEU 121 -4.418 2.652 13.311 1015 HB3 LEU 121 HB2 LEU 121 -3.603 1.395 12.399 1016 HG LEU 121 HG LEU 121 -5.462 3.497 11.284 1017 HD11 LEU 121 HD11 LEU 121 -3.277 4.371 11.844 1018 HD12 LEU 121 HD12 LEU 121 -3.454 4.254 10.092 1019 HD13 LEU 121 HD13 LEU 121 -2.499 3.054 10.964 1020 HD21 LEU 121 HD21 LEU 121 -3.994 1.283 9.855 1021 HD22 LEU 121 HD22 LEU 121 -4.933 2.568 9.094 1022 HD23 LEU 121 HD23 LEU 121 -5.738 1.371 10.109 1023 H ASN 122 H ASN 122 -6.939 1.093 14.891 1024 HA ASN 122 HA ASN 122 -5.266 -0.903 16.227 1025 HB2 ASN 122 HB3 ASN 122 -7.449 0.915 17.280 1026 HB3 ASN 122 HB2 ASN 122 -6.570 -0.253 18.262 1027 HD21 ASN 122 HD22 ASN 122 -6.754 2.675 18.430 1028 HD22 ASN 122 HD21 ASN 122 -5.123 3.241 18.389 1029 H THR 123 H THR 123 -8.350 -0.446 14.761 1030 HA THR 123 HA THR 123 -9.490 -2.860 15.871 1031 HB THR 123 HB THR 123 -11.377 -2.403 14.305 1032 HG1 THR 123 HG1 THR 123 -9.861 -1.161 12.829 1033 HG21 THR 123 HG21 THR 123 -11.365 -1.485 16.588 1034 HG22 THR 123 HG22 THR 123 -12.182 -0.408 15.454 1035 HG23 THR 123 HG23 THR 123 -10.542 -0.041 15.992 1036 H LEU 124 H LEU 124 -7.537 -1.932 13.256 1037 HA LEU 124 HA LEU 124 -8.099 -4.289 11.658 1038 HB2 LEU 124 HB3 LEU 124 -6.279 -1.923 11.313 1039 HB3 LEU 124 HB2 LEU 124 -6.185 -3.322 10.260 1040 HG LEU 124 HG LEU 124 -8.709 -1.710 10.625 1041 HD11 LEU 124 HD11 LEU 124 -6.954 -0.277 9.712 1042 HD12 LEU 124 HD12 LEU 124 -8.175 -0.650 8.496 1043 HD13 LEU 124 HD13 LEU 124 -6.617 -1.477 8.464 1044 HD21 LEU 124 HD21 LEU 124 -9.363 -2.814 8.548 1045 HD22 LEU 124 HD22 LEU 124 -9.011 -3.992 9.812 1046 HD23 LEU 124 HD23 LEU 124 -7.837 -3.695 8.530 1047 H ARG 125 H ARG 125 -7.066 -6.150 11.940 1048 HA ARG 125 HA ARG 125 -4.776 -6.347 13.655 1049 HB2 ARG 125 HB3 ARG 125 -6.369 -8.180 13.599 1050 HB3 ARG 125 HB2 ARG 125 -6.126 -8.386 11.873 1051 HG2 ARG 125 HG3 ARG 125 -3.888 -9.175 12.221 1052 HG3 ARG 125 HG2 ARG 125 -3.985 -8.809 13.946 1053 HD2 ARG 125 HD3 ARG 125 -5.558 -10.523 14.324 1054 HD3 ARG 125 HD2 ARG 125 -5.882 -10.713 12.603 1055 HE ARG 125 HE ARG 125 -3.674 -11.701 12.387 1056 HH11 ARG 125 HH11 ARG 125 -4.950 -11.430 15.646 1057 HH12 ARG 125 HH12 ARG 125 -3.975 -12.738 16.254 1058 HH21 ARG 125 HH22 ARG 125 -2.444 -13.437 13.189 1059 HH22 ARG 125 HH21 ARG 125 -2.570 -13.879 14.869 1060 H LEU 126 H LEU 126 -3.386 -4.915 12.629 1061 HA LEU 126 HA LEU 126 -2.495 -5.427 9.928 1062 HB2 LEU 126 HB3 LEU 126 -1.661 -3.393 11.998 1063 HB3 LEU 126 HB2 LEU 126 -1.035 -3.450 10.360 1064 HG LEU 126 HG LEU 126 -3.983 -3.183 10.875 1065 HD11 LEU 126 HD11 LEU 126 -2.001 -0.927 10.644 1066 HD12 LEU 126 HD12 LEU 126 -2.873 -1.387 12.107 1067 HD13 LEU 126 HD13 LEU 126 -3.757 -0.775 10.708 1068 HD21 LEU 126 HD21 LEU 126 -3.942 -2.144 8.661 1069 HD22 LEU 126 HD22 LEU 126 -3.275 -3.778 8.622 1070 HD23 LEU 126 HD23 LEU 126 -2.196 -2.382 8.582 1071 H ILE 127 H ILE 127 -0.634 -6.365 9.337 1072 HA ILE 127 HA ILE 127 1.086 -7.424 11.486 1073 HB ILE 127 HB ILE 127 1.423 -9.434 10.062 1074 HG12 ILE 127 HG13 ILE 127 -0.836 -8.234 8.440 1075 HG13 ILE 127 HG12 ILE 127 0.826 -8.444 7.901 1076 HG21 ILE 127 HG21 ILE 127 -0.728 -10.490 10.570 1077 HG22 ILE 127 HG22 ILE 127 -1.438 -8.900 10.854 1078 HG23 ILE 127 HG23 ILE 127 -0.158 -9.496 11.911 1079 HD11 ILE 127 HD11 ILE 127 -1.096 -10.652 8.587 1080 HD12 ILE 127 HD12 ILE 127 0.568 -10.860 8.040 1081 HD13 ILE 127 HD13 ILE 127 -0.630 -10.138 6.966 1082 H ARG 128 H ARG 128 3.229 -8.235 10.495 1083 HA ARG 128 HA ARG 128 4.204 -6.180 8.666 1084 HB2 ARG 128 HB3 ARG 128 5.524 -7.992 10.643 1085 HB3 ARG 128 HB2 ARG 128 6.464 -7.367 9.293 1086 HG2 ARG 128 HG3 ARG 128 5.920 -5.086 9.959 1087 HG3 ARG 128 HG2 ARG 128 4.965 -5.705 11.308 1088 HD2 ARG 128 HD3 ARG 128 6.839 -6.453 12.453 1089 HD3 ARG 128 HD2 ARG 128 7.836 -6.484 10.998 1090 HE ARG 128 HE ARG 128 7.821 -4.029 11.079 1091 HH11 ARG 128 HH11 ARG 128 6.949 -5.739 14.012 1092 HH12 ARG 128 HH12 ARG 128 7.469 -4.459 15.056 1093 HH21 ARG 128 HH22 ARG 128 8.493 -2.357 12.437 1094 HH22 ARG 128 HH21 ARG 128 8.340 -2.520 14.165 1095 H ILE 129 H ILE 129 4.586 -6.576 6.630 1096 HA ILE 129 HA ILE 129 4.649 -9.382 5.733 1097 HB ILE 129 HB ILE 129 3.361 -6.972 4.466 1098 HG12 ILE 129 HG13 ILE 129 2.290 -9.673 5.314 1099 HG13 ILE 129 HG12 ILE 129 2.028 -8.146 6.149 1100 HG21 ILE 129 HG21 ILE 129 2.804 -8.401 2.551 1101 HG22 ILE 129 HG22 ILE 129 3.826 -9.674 3.223 1102 HG23 ILE 129 HG23 ILE 129 4.541 -8.145 2.713 1103 HD11 ILE 129 HD11 ILE 129 0.786 -7.311 4.222 1104 HD12 ILE 129 HD12 ILE 129 0.076 -8.791 4.867 1105 HD13 ILE 129 HD13 ILE 129 1.044 -8.846 3.395 1106 H ASN 130 H ASN 130 6.237 -9.987 4.369 1107 HA ASN 130 HA ASN 130 8.183 -7.922 3.580 1108 HB2 ASN 130 HB3 ASN 130 9.130 -9.615 5.061 1109 HB3 ASN 130 HB2 ASN 130 8.566 -10.897 3.994 1110 HD21 ASN 130 HD22 ASN 130 9.631 -11.265 2.042 1111 HD22 ASN 130 HD21 ASN 130 11.192 -10.600 1.708 1112 H ASP 131 H ASP 131 8.190 -7.388 1.539 1113 HA ASP 131 HA ASP 131 8.064 -7.418 -0.715 1114 HB2 ASP 131 HB3 ASP 131 9.304 -10.086 -0.130 1115 HB3 ASP 131 HB2 ASP 131 9.057 -9.529 -1.781 1116 H LYS 132 H LYS 132 7.470 -10.876 -0.631 1117 HA LYS 132 HA LYS 132 5.400 -10.415 -2.621 1118 HB2 LYS 132 HB3 LYS 132 6.484 -13.064 -1.673 1119 HB3 LYS 132 HB2 LYS 132 5.677 -12.716 -3.195 1120 HG2 LYS 132 HG3 LYS 132 7.564 -11.436 -3.961 1121 HG3 LYS 132 HG2 LYS 132 8.361 -11.611 -2.396 1122 HD2 LYS 132 HD3 LYS 132 8.290 -14.101 -2.766 1123 HD3 LYS 132 HD2 LYS 132 7.766 -13.762 -4.416 1124 HE2 LYS 132 HE3 LYS 132 9.809 -12.488 -4.811 1125 HE3 LYS 132 HE2 LYS 132 10.329 -12.795 -3.154 1126 HZ1 LYS 132 HZ1 LYS 132 11.427 -14.348 -4.545 1127 HZ2 LYS 132 HZ2 LYS 132 9.988 -14.780 -5.330 1128 HZ3 LYS 132 HZ3 LYS 132 10.230 -15.210 -3.708 1129 H GLY 133 H GLY 133 4.880 -9.955 0.276 1130 HA2 GLY 133 HA3 GLY 133 2.908 -10.170 1.504 1131 HA3 GLY 133 HA2 GLY 133 2.394 -11.445 0.407 1132 H GLU 134 H GLU 134 5.520 -11.441 1.929 1133 HA GLU 134 HA GLU 134 4.977 -14.043 3.044 1134 HB2 GLU 134 HB3 GLU 134 7.149 -13.297 1.930 1135 HB3 GLU 134 HB2 GLU 134 7.476 -12.396 3.403 1136 HG2 GLU 134 HG3 GLU 134 7.410 -14.465 4.691 1137 HG3 GLU 134 HG2 GLU 134 7.072 -15.371 3.216 1138 H GLN 135 H GLN 135 4.894 -14.577 5.198 1139 HA GLN 135 HA GLN 135 3.831 -12.497 6.871 1140 HB2 GLN 135 HB3 GLN 135 2.786 -14.714 6.794 1141 HB3 GLN 135 HB2 GLN 135 4.263 -15.442 7.407 1142 HG2 GLN 135 HG3 GLN 135 2.622 -15.241 9.167 1143 HG3 GLN 135 HG2 GLN 135 4.008 -14.203 9.498 1144 HE21 GLN 135 HE22 GLN 135 2.818 -12.888 10.868 1145 HE22 GLN 135 HE21 GLN 135 1.634 -11.775 10.280 1146 H VAL 136 H VAL 136 5.116 -11.199 7.982 1147 HA VAL 136 HA VAL 136 7.548 -12.293 9.225 1148 HB VAL 136 HB VAL 136 6.676 -9.399 9.057 1149 HG11 VAL 136 HG11 VAL 136 8.197 -9.869 10.902 1150 HG12 VAL 136 HG12 VAL 136 8.991 -8.901 9.662 1151 HG13 VAL 136 HG13 VAL 136 9.332 -10.626 9.787 1152 HG21 VAL 136 HG21 VAL 136 8.388 -9.168 7.300 1153 HG22 VAL 136 HG22 VAL 136 7.068 -10.236 6.822 1154 HG23 VAL 136 HG23 VAL 136 8.617 -10.917 7.318 1155 H VAL 137 H VAL 137 6.931 -13.271 11.071 1156 HA VAL 137 HA VAL 137 4.744 -12.281 12.648 1157 HB VAL 137 HB VAL 137 5.320 -14.152 14.204 1158 HG11 VAL 137 HG11 VAL 137 4.651 -15.940 12.656 1159 HG12 VAL 137 HG12 VAL 137 4.990 -14.872 11.294 1160 HG13 VAL 137 HG13 VAL 137 3.701 -14.472 12.429 1161 HG21 VAL 137 HG21 VAL 137 6.950 -15.835 13.452 1162 HG22 VAL 137 HG22 VAL 137 7.715 -14.285 13.805 1163 HG23 VAL 137 HG23 VAL 137 7.428 -14.766 12.133 1164 H GLY 138 H GLY 138 4.806 -10.965 14.330 1165 HA2 GLY 138 HA3 GLY 138 5.607 -9.930 16.242 1166 HA3 GLY 138 HA2 GLY 138 7.131 -10.779 16.036 1167 H GLY 139 H GLY 139 8.473 -9.989 14.139 1168 HA2 GLY 139 HA3 GLY 139 9.297 -8.179 12.859 1169 HA3 GLY 139 HA2 GLY 139 8.170 -7.109 13.683 1170 H ASN 140 H ASN 140 9.696 -9.184 15.818 1171 HA ASN 140 HA ASN 140 11.631 -7.096 16.570 1172 HB2 ASN 140 HB3 ASN 140 10.141 -9.135 18.224 1173 HB3 ASN 140 HB2 ASN 140 11.545 -8.270 18.840 1174 HD21 ASN 140 HD22 ASN 140 10.947 -5.798 17.499 1175 HD22 ASN 140 HD21 ASN 140 9.599 -5.095 18.330 1176 H GLU 141 H GLU 141 13.746 -7.672 16.978 1177 HA GLU 141 HA GLU 141 14.461 -10.403 16.153 1178 HB2 GLU 141 HB3 GLU 141 15.350 -8.581 14.719 1179 HB3 GLU 141 HB2 GLU 141 16.194 -7.923 16.115 1180 HG2 GLU 141 HG3 GLU 141 17.614 -9.820 16.256 1181 HG3 GLU 141 HG2 GLU 141 16.651 -10.704 15.073 Start of MODEL 19 1 H MET 1 H MET 1 3.953 -7.475 26.829 2 HA MET 1 HA MET 1 1.358 -7.143 25.437 3 HB2 MET 1 HB3 MET 1 2.377 -6.098 28.092 4 HB3 MET 1 HB2 MET 1 0.843 -5.657 27.358 5 HG2 MET 1 HG3 MET 1 0.083 -7.963 27.537 6 HG3 MET 1 HG2 MET 1 1.630 -8.421 28.251 7 HE1 MET 1 HE1 MET 1 0.379 -9.516 30.315 8 HE2 MET 1 HE2 MET 1 -1.172 -9.077 29.601 9 HE3 MET 1 HE3 MET 1 -0.831 -8.677 31.285 10 H ARG 2 H ARG 2 0.915 -4.608 25.577 11 HA ARG 2 HA ARG 2 2.999 -3.361 24.030 12 HB2 ARG 2 HB3 ARG 2 0.312 -2.368 24.993 13 HB3 ARG 2 HB2 ARG 2 1.408 -1.403 24.012 14 HG2 ARG 2 HG3 ARG 2 1.296 -3.073 22.237 15 HG3 ARG 2 HG2 ARG 2 0.200 -4.044 23.221 16 HD2 ARG 2 HD3 ARG 2 -1.481 -2.329 23.136 17 HD3 ARG 2 HD2 ARG 2 -0.370 -1.222 22.330 18 HE ARG 2 HE ARG 2 -0.477 -3.428 20.703 19 HH11 ARG 2 HH11 ARG 2 -2.883 -1.219 22.008 20 HH12 ARG 2 HH12 ARG 2 -3.899 -1.308 20.599 21 HH21 ARG 2 HH22 ARG 2 -1.822 -3.553 18.873 22 HH22 ARG 2 HH21 ARG 2 -3.327 -2.675 18.842 23 H GLU 3 H GLU 3 2.037 -3.469 27.305 24 HA GLU 3 HA GLU 3 3.134 -0.997 28.185 25 HB2 GLU 3 HB3 GLU 3 1.398 -2.306 29.398 26 HB3 GLU 3 HB2 GLU 3 2.608 -3.529 29.751 27 HG2 GLU 3 HG3 GLU 3 3.869 -1.941 31.073 28 HG3 GLU 3 HG2 GLU 3 2.721 -0.664 30.667 29 H ASP 4 H ASP 4 4.537 -3.839 27.097 30 HA ASP 4 HA ASP 4 6.896 -3.800 28.743 31 HB2 ASP 4 HB3 ASP 4 6.246 -5.284 26.191 32 HB3 ASP 4 HB2 ASP 4 7.737 -5.495 27.103 33 H LYS 5 H LYS 5 5.883 -1.670 26.551 34 HA LYS 5 HA LYS 5 6.813 -0.144 25.150 35 HB2 LYS 5 HB3 LYS 5 8.234 0.224 27.182 36 HB3 LYS 5 HB2 LYS 5 9.409 -0.900 26.519 37 HG2 LYS 5 HG3 LYS 5 9.878 0.566 24.688 38 HG3 LYS 5 HG2 LYS 5 8.556 1.642 25.152 39 HD2 LYS 5 HD3 LYS 5 9.688 2.294 27.147 40 HD3 LYS 5 HD2 LYS 5 10.915 1.045 26.929 41 HE2 LYS 5 HE3 LYS 5 10.483 3.252 24.935 42 HE3 LYS 5 HE2 LYS 5 11.569 3.425 26.314 43 HZ1 LYS 5 HZ1 LYS 5 11.822 1.166 24.415 44 HZ2 LYS 5 HZ2 LYS 5 12.972 1.760 25.509 45 HZ3 LYS 5 HZ3 LYS 5 12.572 2.659 24.125 46 H ILE 6 H ILE 6 6.326 -2.573 24.105 47 HA ILE 6 HA ILE 6 8.522 -3.841 22.848 48 HB ILE 6 HB ILE 6 6.473 -5.053 23.297 49 HG12 ILE 6 HG13 ILE 6 6.896 -4.791 20.311 50 HG13 ILE 6 HG12 ILE 6 7.869 -5.785 21.390 51 HG21 ILE 6 HG21 ILE 6 5.158 -3.209 21.310 52 HG22 ILE 6 HG22 ILE 6 4.871 -3.252 23.049 53 HG23 ILE 6 HG23 ILE 6 4.409 -4.627 22.046 54 HD11 ILE 6 HD11 ILE 6 5.902 -7.136 21.912 55 HD12 ILE 6 HD12 ILE 6 6.250 -7.125 20.183 56 HD13 ILE 6 HD13 ILE 6 4.934 -6.142 20.823 57 H ALA 7 H ALA 7 6.500 -1.152 21.948 58 HA ALA 7 HA ALA 7 7.338 -1.285 19.166 59 HB1 ALA 7 HB1 ALA 7 5.781 0.540 18.786 60 HB2 ALA 7 HB2 ALA 7 5.505 0.690 20.520 61 HB3 ALA 7 HB3 ALA 7 4.994 -0.767 19.670 62 H ALA 8 H ALA 8 9.588 -0.901 19.631 63 HA ALA 8 HA ALA 8 10.160 1.952 19.498 64 HB1 ALA 8 HB1 ALA 8 11.557 0.159 21.480 65 HB2 ALA 8 HB2 ALA 8 10.381 1.411 21.878 66 HB3 ALA 8 HB3 ALA 8 11.931 1.853 21.163 67 H LYS 9 H LYS 9 10.502 -1.001 18.202 68 HA LYS 9 HA LYS 9 13.318 -0.794 17.473 69 HB2 LYS 9 HB3 LYS 9 11.251 -2.936 16.960 70 HB3 LYS 9 HB2 LYS 9 12.906 -3.010 16.371 71 HG2 LYS 9 HG3 LYS 9 13.755 -3.033 18.625 72 HG3 LYS 9 HG2 LYS 9 12.126 -2.818 19.270 73 HD2 LYS 9 HD3 LYS 9 11.465 -4.969 18.312 74 HD3 LYS 9 HD2 LYS 9 13.093 -5.179 17.662 75 HE2 LYS 9 HE3 LYS 9 14.030 -5.302 19.848 76 HE3 LYS 9 HE2 LYS 9 12.508 -4.814 20.591 77 HZ1 LYS 9 HZ1 LYS 9 11.519 -6.878 19.786 78 HZ2 LYS 9 HZ2 LYS 9 12.837 -7.175 20.808 79 HZ3 LYS 9 HZ3 LYS 9 13.011 -7.356 19.132 80 H LYS 10 H LYS 10 10.983 0.912 16.433 81 HA LYS 10 HA LYS 10 11.864 0.861 13.672 82 HB2 LYS 10 HB3 LYS 10 9.054 0.313 14.539 83 HB3 LYS 10 HB2 LYS 10 9.332 1.200 13.044 84 HG2 LYS 10 HG3 LYS 10 10.573 -1.475 13.643 85 HG3 LYS 10 HG2 LYS 10 9.048 -1.271 12.772 86 HD2 LYS 10 HD3 LYS 10 10.074 -0.295 10.942 87 HD3 LYS 10 HD2 LYS 10 11.480 0.219 11.875 88 HE2 LYS 10 HE3 LYS 10 10.866 -2.677 11.350 89 HE3 LYS 10 HE2 LYS 10 11.816 -1.697 10.233 90 HZ1 LYS 10 HZ1 LYS 10 13.277 -2.873 11.707 91 HZ2 LYS 10 HZ2 LYS 10 12.478 -2.267 13.074 92 HZ3 LYS 10 HZ3 LYS 10 13.351 -1.219 12.073 93 H LYS 11 H LYS 11 10.411 2.750 12.541 94 HA LYS 11 HA LYS 11 11.503 5.075 13.753 95 HB2 LYS 11 HB3 LYS 11 9.613 4.791 11.411 96 HB3 LYS 11 HB2 LYS 11 10.470 6.263 11.849 97 HG2 LYS 11 HG3 LYS 11 12.592 5.223 11.391 98 HG3 LYS 11 HG2 LYS 11 11.804 3.673 11.089 99 HD2 LYS 11 HD3 LYS 11 10.636 4.626 9.176 100 HD3 LYS 11 HD2 LYS 11 11.376 6.196 9.492 101 HE2 LYS 11 HE3 LYS 11 12.516 5.003 7.684 102 HE3 LYS 11 HE2 LYS 11 13.580 5.269 9.063 103 HZ1 LYS 11 HZ1 LYS 11 13.423 3.027 9.691 104 HZ2 LYS 11 HZ2 LYS 11 13.650 2.998 8.011 105 HZ3 LYS 11 HZ3 LYS 11 12.105 2.724 8.662 106 H LEU 12 H LEU 12 8.162 4.041 13.102 107 HA LEU 12 HA LEU 12 6.185 4.523 14.098 108 HB2 LEU 12 HB3 LEU 12 7.473 4.014 16.199 109 HB3 LEU 12 HB2 LEU 12 7.794 5.730 16.353 110 HG LEU 12 HG LEU 12 5.368 6.154 16.548 111 HD11 LEU 12 HD11 LEU 12 4.559 4.239 15.279 112 HD12 LEU 12 HD12 LEU 12 3.839 4.282 16.889 113 HD13 LEU 12 HD13 LEU 12 5.143 3.148 16.534 114 HD21 LEU 12 HD21 LEU 12 5.100 5.223 18.792 115 HD22 LEU 12 HD22 LEU 12 6.722 5.871 18.553 116 HD23 LEU 12 HD23 LEU 12 6.454 4.129 18.503 117 H HIS 13 H HIS 13 7.968 6.492 12.578 118 HA HIS 13 HA HIS 13 6.265 8.847 13.039 119 HB2 HIS 13 HB3 HIS 13 9.209 8.819 12.338 120 HB3 HIS 13 HB2 HIS 13 8.195 10.258 12.293 121 HD1 HIS 13 HD1 HIS 13 10.477 8.542 14.440 122 HD2 HIS 13 HD2 HIS 13 6.962 10.699 15.009 123 HE1 HIS 13 HE1 HIS 13 10.478 9.225 16.861 124 HE2 HIS 13 HE2 HIS 13 8.456 10.710 17.116 125 H GLN 14 H GLN 14 8.251 7.039 10.728 126 HA GLN 14 HA GLN 14 7.010 8.106 8.402 127 HB2 GLN 14 HB3 GLN 14 9.165 6.915 8.327 128 HB3 GLN 14 HB2 GLN 14 8.376 5.438 8.855 129 HG2 GLN 14 HG3 GLN 14 7.105 5.349 6.789 130 HG3 GLN 14 HG2 GLN 14 7.821 6.873 6.264 131 HE21 GLN 14 HE22 GLN 14 7.923 4.231 4.994 132 HE22 GLN 14 HE21 GLN 14 9.601 3.837 4.870 133 H ASP 15 H ASP 15 6.450 5.377 10.511 134 HA ASP 15 HA ASP 15 4.235 4.203 9.252 135 HB2 ASP 15 HB3 ASP 15 4.557 4.340 12.245 136 HB3 ASP 15 HB2 ASP 15 3.934 3.016 11.269 137 H LYS 16 H LYS 16 4.522 6.711 11.704 138 HA LYS 16 HA LYS 16 1.679 7.031 12.036 139 HB2 LYS 16 HB3 LYS 16 3.530 7.323 13.804 140 HB3 LYS 16 HB2 LYS 16 3.827 8.883 13.055 141 HG2 LYS 16 HG3 LYS 16 2.420 9.150 14.990 142 HG3 LYS 16 HG2 LYS 16 1.503 9.531 13.530 143 HD2 LYS 16 HD3 LYS 16 0.365 7.444 13.601 144 HD3 LYS 16 HD2 LYS 16 1.439 6.830 14.860 145 HE2 LYS 16 HE3 LYS 16 -0.513 9.112 15.155 146 HE3 LYS 16 HE2 LYS 16 -0.739 7.475 15.769 147 HZ1 LYS 16 HZ1 LYS 16 0.043 8.677 17.585 148 HZ2 LYS 16 HZ2 LYS 16 1.193 9.526 16.670 149 HZ3 LYS 16 HZ3 LYS 16 1.430 7.887 17.015 150 H ARG 17 H ARG 17 2.500 7.434 9.373 151 HA ARG 17 HA ARG 17 1.761 10.233 8.996 152 HB2 ARG 17 HB3 ARG 17 4.325 9.840 8.912 153 HB3 ARG 17 HB2 ARG 17 4.006 9.044 7.379 154 HG2 ARG 17 HG3 ARG 17 4.662 11.317 6.983 155 HG3 ARG 17 HG2 ARG 17 2.962 11.120 6.552 156 HD2 ARG 17 HD3 ARG 17 2.351 12.047 8.777 157 HD3 ARG 17 HD2 ARG 17 4.062 12.356 9.075 158 HE ARG 17 HE ARG 17 3.025 13.509 6.634 159 HH11 ARG 17 HH11 ARG 17 3.583 14.018 10.065 160 HH12 ARG 17 HH12 ARG 17 3.617 15.748 9.920 161 HH21 ARG 17 HH22 ARG 17 3.051 15.785 6.466 162 HH22 ARG 17 HH21 ARG 17 3.282 16.751 7.892 163 H VAL 18 H VAL 18 1.488 10.543 6.464 164 HA VAL 18 HA VAL 18 -0.730 9.020 5.750 165 HB VAL 18 HB VAL 18 1.024 10.603 3.866 166 HG11 VAL 18 HG11 VAL 18 -1.045 10.938 2.598 167 HG12 VAL 18 HG12 VAL 18 -1.907 9.903 3.736 168 HG13 VAL 18 HG13 VAL 18 -0.627 9.229 2.724 169 HG21 VAL 18 HG21 VAL 18 -1.256 11.543 5.602 170 HG22 VAL 18 HG22 VAL 18 -0.426 12.510 4.383 171 HG23 VAL 18 HG23 VAL 18 0.447 11.949 5.808 172 H HIS 19 H HIS 19 2.626 8.376 5.234 173 HA HIS 19 HA HIS 19 2.569 6.897 2.872 174 HB2 HIS 19 HB3 HIS 19 4.423 6.862 5.234 175 HB3 HIS 19 HB2 HIS 19 4.647 5.748 3.889 176 HD1 HIS 19 HD1 HIS 19 6.208 6.581 2.172 177 HD2 HIS 19 HD2 HIS 19 4.273 9.689 4.157 178 HE1 HIS 19 HE1 HIS 19 7.135 8.708 1.188 179 HE2 HIS 19 HE2 HIS 19 5.766 10.554 2.231 180 H GLU 20 H GLU 20 1.615 5.965 6.086 181 HA GLU 20 HA GLU 20 1.459 3.151 5.337 182 HB2 GLU 20 HB3 GLU 20 2.263 3.769 7.592 183 HB3 GLU 20 HB2 GLU 20 0.720 4.539 7.925 184 HG2 GLU 20 HG3 GLU 20 -0.390 2.351 7.658 185 HG3 GLU 20 HG2 GLU 20 1.193 1.607 7.434 186 H LEU 21 H LEU 21 -0.709 5.709 6.506 187 HA LEU 21 HA LEU 21 -3.048 4.156 6.403 188 HB2 LEU 21 HB3 LEU 21 -2.617 7.128 6.519 189 HB3 LEU 21 HB2 LEU 21 -4.215 6.412 6.534 190 HG LEU 21 HG LEU 21 -3.547 5.162 8.613 191 HD11 LEU 21 HD11 LEU 21 -1.184 7.033 8.540 192 HD12 LEU 21 HD12 LEU 21 -1.127 5.279 8.358 193 HD13 LEU 21 HD13 LEU 21 -1.640 5.990 9.888 194 HD21 LEU 21 HD21 LEU 21 -3.452 8.172 8.742 195 HD22 LEU 21 HD22 LEU 21 -3.838 7.088 10.078 196 HD23 LEU 21 HD23 LEU 21 -4.912 7.185 8.681 197 H ALA 22 H ALA 22 -1.541 6.222 3.988 198 HA ALA 22 HA ALA 22 -3.819 6.523 2.334 199 HB1 ALA 22 HB1 ALA 22 -2.283 7.272 0.615 200 HB2 ALA 22 HB2 ALA 22 -0.917 6.632 1.529 201 HB3 ALA 22 HB3 ALA 22 -1.854 7.980 2.173 202 H ARG 23 H ARG 23 -1.423 4.000 2.624 203 HA ARG 23 HA ARG 23 -2.009 2.728 0.141 204 HB2 ARG 23 HB3 ARG 23 -0.778 1.523 2.631 205 HB3 ARG 23 HB2 ARG 23 -0.702 0.858 1.001 206 HG2 ARG 23 HG3 ARG 23 0.523 2.882 0.282 207 HG3 ARG 23 HG2 ARG 23 0.531 3.430 1.957 208 HD2 ARG 23 HD3 ARG 23 1.752 1.370 2.580 209 HD3 ARG 23 HD2 ARG 23 1.814 0.925 0.873 210 HE ARG 23 HE ARG 23 3.178 3.221 2.115 211 HH11 ARG 23 HH11 ARG 23 2.790 0.981 -0.549 212 HH12 ARG 23 HH12 ARG 23 4.157 1.579 -1.429 213 HH21 ARG 23 HH22 ARG 23 4.994 4.019 0.960 214 HH22 ARG 23 HH21 ARG 23 5.410 3.312 -0.569 215 H VAL 24 H VAL 24 -3.228 2.496 3.403 216 HA VAL 24 HA VAL 24 -4.884 0.223 3.024 217 HB VAL 24 HB VAL 24 -5.100 2.503 5.006 218 HG11 VAL 24 HG11 VAL 24 -6.476 -0.181 5.040 219 HG12 VAL 24 HG12 VAL 24 -7.251 1.379 4.765 220 HG13 VAL 24 HG13 VAL 24 -6.521 1.021 6.331 221 HG21 VAL 24 HG21 VAL 24 -3.944 -0.267 5.286 222 HG22 VAL 24 HG22 VAL 24 -4.079 0.930 6.576 223 HG23 VAL 24 HG23 VAL 24 -3.027 1.238 5.193 224 H LYS 25 H LYS 25 -5.349 3.702 2.622 225 HA LYS 25 HA LYS 25 -8.144 3.524 2.136 226 HB2 LYS 25 HB3 LYS 25 -6.975 5.599 2.903 227 HB3 LYS 25 HB2 LYS 25 -6.293 5.754 1.288 228 HG2 LYS 25 HG3 LYS 25 -8.458 6.041 0.325 229 HG3 LYS 25 HG2 LYS 25 -9.246 5.653 1.853 230 HD2 LYS 25 HD3 LYS 25 -8.191 7.671 2.846 231 HD3 LYS 25 HD2 LYS 25 -7.556 8.077 1.248 232 HE2 LYS 25 HE3 LYS 25 -9.806 8.228 0.361 233 HE3 LYS 25 HE2 LYS 25 -10.477 7.721 1.909 234 HZ1 LYS 25 HZ1 LYS 25 -10.662 10.083 1.688 235 HZ2 LYS 25 HZ2 LYS 25 -9.003 10.241 1.360 236 HZ3 LYS 25 HZ3 LYS 25 -9.521 9.744 2.897 237 H PHE 26 H PHE 26 -5.290 3.481 0.029 238 HA PHE 26 HA PHE 26 -6.664 3.618 -2.419 239 HB2 PHE 26 HB3 PHE 26 -4.242 3.796 -2.408 240 HB3 PHE 26 HB2 PHE 26 -4.087 2.166 -1.757 241 HD1 PHE 26 HD2 PHE 26 -5.422 4.016 -4.701 242 HD2 PHE 26 HD1 PHE 26 -3.831 0.364 -3.200 243 HE1 PHE 26 HE2 PHE 26 -5.407 3.089 -6.981 244 HE2 PHE 26 HE1 PHE 26 -3.817 -0.569 -5.477 245 HZ PHE 26 HZ PHE 26 -4.618 0.785 -7.372 246 H MET 27 H MET 27 -5.765 0.829 -0.419 247 HA MET 27 HA MET 27 -6.911 -1.204 -1.938 248 HB2 MET 27 HB3 MET 27 -6.756 -0.925 1.066 249 HB3 MET 27 HB2 MET 27 -7.191 -2.406 0.226 250 HG2 MET 27 HG3 MET 27 -5.000 -2.463 -0.833 251 HG3 MET 27 HG2 MET 27 -4.563 -0.961 -0.020 252 HE1 MET 27 HE1 MET 27 -2.761 -3.605 0.165 253 HE2 MET 27 HE2 MET 27 -2.360 -3.577 1.882 254 HE3 MET 27 HE3 MET 27 -2.371 -2.077 0.955 255 H GLN 28 H GLN 28 -8.388 0.691 0.683 256 HA GLN 28 HA GLN 28 -10.945 -0.327 0.645 257 HB2 GLN 28 HB3 GLN 28 -10.137 1.331 2.269 258 HB3 GLN 28 HB2 GLN 28 -10.152 2.561 1.014 259 HG2 GLN 28 HG3 GLN 28 -12.586 2.233 0.778 260 HG3 GLN 28 HG2 GLN 28 -12.530 1.109 2.137 261 HE21 GLN 28 HE22 GLN 28 -11.948 1.901 4.177 262 HE22 GLN 28 HE21 GLN 28 -12.181 3.571 4.587 263 H ASP 29 H ASP 29 -9.762 2.458 -1.211 264 HA ASP 29 HA ASP 29 -12.155 3.102 -2.479 265 HB2 ASP 29 HB3 ASP 29 -10.130 4.545 -2.405 266 HB3 ASP 29 HB2 ASP 29 -9.359 3.479 -3.574 267 H VAL 30 H VAL 30 -9.576 0.900 -3.482 268 HA VAL 30 HA VAL 30 -10.789 0.383 -6.034 269 HB VAL 30 HB VAL 30 -8.510 -1.047 -4.660 270 HG11 VAL 30 HG11 VAL 30 -7.965 -1.890 -6.892 271 HG12 VAL 30 HG12 VAL 30 -9.417 -1.125 -7.537 272 HG13 VAL 30 HG13 VAL 30 -9.557 -2.439 -6.369 273 HG21 VAL 30 HG21 VAL 30 -7.089 0.283 -6.145 274 HG22 VAL 30 HG22 VAL 30 -8.040 1.308 -5.072 275 HG23 VAL 30 HG23 VAL 30 -8.515 1.119 -6.760 276 H VAL 31 H VAL 31 -10.626 -1.327 -2.926 277 HA VAL 31 HA VAL 31 -11.856 -3.723 -3.807 278 HB VAL 31 HB VAL 31 -11.915 -2.494 -1.036 279 HG11 VAL 31 HG11 VAL 31 -13.673 -4.156 -1.319 280 HG12 VAL 31 HG12 VAL 31 -12.407 -4.763 -0.252 281 HG13 VAL 31 HG13 VAL 31 -12.493 -5.319 -1.923 282 HG21 VAL 31 HG21 VAL 31 -10.086 -4.035 -0.527 283 HG22 VAL 31 HG22 VAL 31 -9.641 -2.911 -1.812 284 HG23 VAL 31 HG23 VAL 31 -10.072 -4.576 -2.206 285 H ASN 32 H ASN 32 -13.119 -0.682 -2.559 286 HA ASN 32 HA ASN 32 -15.855 -1.575 -2.627 287 HB2 ASN 32 HB3 ASN 32 -14.567 1.122 -2.164 288 HB3 ASN 32 HB2 ASN 32 -16.315 0.922 -2.256 289 HD21 ASN 32 HD22 ASN 32 -14.777 1.869 -0.048 290 HD22 ASN 32 HD21 ASN 32 -15.049 0.784 1.273 291 H SER 33 H SER 33 -13.620 -0.284 -4.848 292 HA SER 33 HA SER 33 -15.598 0.743 -6.683 293 HB2 SER 33 HB3 SER 33 -13.418 1.802 -6.680 294 HB3 SER 33 HB2 SER 33 -12.620 0.257 -6.965 295 HG SER 33 HG SER 33 -14.480 1.444 -8.760 296 H ASP 34 H ASP 34 -16.040 -0.163 -8.751 297 HA ASP 34 HA ASP 34 -16.352 -2.980 -8.783 298 HB2 ASP 34 HB3 ASP 34 -17.771 -1.295 -10.026 299 HB3 ASP 34 HB2 ASP 34 -16.446 -1.130 -11.174 300 H THR 35 H THR 35 -13.777 -0.922 -9.527 301 HA THR 35 HA THR 35 -12.285 -2.110 -11.481 302 HB THR 35 HB THR 35 -11.241 -0.998 -8.867 303 HG1 THR 35 HG1 THR 35 -12.268 0.702 -9.675 304 HG21 THR 35 HG21 THR 35 -9.528 -2.200 -10.183 305 HG22 THR 35 HG22 THR 35 -9.211 -0.464 -10.101 306 HG23 THR 35 HG23 THR 35 -9.894 -1.171 -11.568 307 H PHE 36 H PHE 36 -12.417 -3.073 -8.037 308 HA PHE 36 HA PHE 36 -11.430 -5.702 -8.872 309 HB2 PHE 36 HB3 PHE 36 -10.111 -3.870 -6.961 310 HB3 PHE 36 HB2 PHE 36 -10.192 -5.564 -6.491 311 HD1 PHE 36 HD1 PHE 36 -9.123 -7.286 -7.883 312 HD2 PHE 36 HD2 PHE 36 -8.669 -3.137 -8.714 313 HE1 PHE 36 HE1 PHE 36 -7.180 -7.788 -9.307 314 HE2 PHE 36 HE2 PHE 36 -6.728 -3.631 -10.142 315 HZ PHE 36 HZ PHE 36 -5.980 -5.959 -10.440 316 H LYS 37 H LYS 37 -13.983 -4.287 -7.737 317 HA LYS 37 HA LYS 37 -14.639 -5.631 -5.345 318 HB2 LYS 37 HB3 LYS 37 -15.909 -3.708 -6.409 319 HB3 LYS 37 HB2 LYS 37 -16.587 -4.883 -7.530 320 HG2 LYS 37 HG3 LYS 37 -17.344 -6.146 -5.421 321 HG3 LYS 37 HG2 LYS 37 -17.025 -4.628 -4.580 322 HD2 LYS 37 HD3 LYS 37 -19.345 -4.683 -5.176 323 HD3 LYS 37 HD2 LYS 37 -18.543 -3.492 -6.202 324 HE2 LYS 37 HE3 LYS 37 -18.447 -5.091 -8.024 325 HE3 LYS 37 HE2 LYS 37 -19.162 -6.336 -7.000 326 HZ1 LYS 37 HZ1 LYS 37 -21.153 -4.922 -6.815 327 HZ2 LYS 37 HZ2 LYS 37 -20.840 -5.397 -8.412 328 HZ3 LYS 37 HZ3 LYS 37 -20.463 -3.825 -7.908 329 H GLY 38 H GLY 38 -14.248 -6.710 -8.541 330 HA2 GLY 38 HA3 GLY 38 -16.051 -8.821 -8.768 331 HA3 GLY 38 HA2 GLY 38 -14.494 -8.733 -9.574 332 H GLN 39 H GLN 39 -13.018 -8.641 -7.022 333 HA GLN 39 HA GLN 39 -13.188 -11.498 -6.404 334 HB2 GLN 39 HB3 GLN 39 -11.082 -9.504 -5.544 335 HB3 GLN 39 HB2 GLN 39 -11.011 -11.248 -5.349 336 HG2 GLN 39 HG3 GLN 39 -11.135 -11.355 -7.897 337 HG3 GLN 39 HG2 GLN 39 -10.767 -9.630 -7.856 338 HE21 GLN 39 HE22 GLN 39 -9.136 -10.034 -5.392 339 HE22 GLN 39 HE21 GLN 39 -7.648 -10.721 -5.941 340 HA PRO 40 HA PRO 40 -15.440 -10.597 -2.638 341 HB2 PRO 40 HB2 PRO 40 -14.147 -13.157 -1.828 342 HB3 PRO 40 HB3 PRO 40 -15.848 -12.685 -1.752 343 HG2 PRO 40 HG3 PRO 40 -14.996 -14.380 -3.618 344 HG3 PRO 40 HG2 PRO 40 -16.214 -13.148 -3.996 345 HD2 PRO 40 HD3 PRO 40 -13.306 -13.210 -4.670 346 HD3 PRO 40 HD2 PRO 40 -14.673 -12.600 -5.624 347 H ILE 41 H ILE 41 -12.368 -12.308 -2.156 348 HA ILE 41 HA ILE 41 -11.392 -10.054 -0.543 349 HB ILE 41 HB ILE 41 -11.034 -12.997 0.096 350 HG12 ILE 41 HG13 ILE 41 -13.237 -12.128 0.732 351 HG13 ILE 41 HG12 ILE 41 -12.264 -12.473 2.159 352 HG21 ILE 41 HG21 ILE 41 -9.808 -12.253 2.077 353 HG22 ILE 41 HG22 ILE 41 -9.936 -10.581 1.528 354 HG23 ILE 41 HG23 ILE 41 -9.002 -11.747 0.591 355 HD11 ILE 41 HD11 ILE 41 -13.498 -10.394 2.403 356 HD12 ILE 41 HD12 ILE 41 -12.724 -9.752 0.954 357 HD13 ILE 41 HD13 ILE 41 -11.759 -10.098 2.390 358 H PHE 42 H PHE 42 -9.033 -9.878 -0.551 359 HA PHE 42 HA PHE 42 -8.066 -10.460 -3.221 360 HB2 PHE 42 HB3 PHE 42 -7.194 -8.616 -1.016 361 HB3 PHE 42 HB2 PHE 42 -6.147 -8.922 -2.396 362 HD1 PHE 42 HD1 PHE 42 -9.719 -8.067 -1.731 363 HD2 PHE 42 HD2 PHE 42 -6.263 -7.451 -4.133 364 HE1 PHE 42 HE1 PHE 42 -10.936 -6.380 -3.037 365 HE2 PHE 42 HE2 PHE 42 -7.474 -5.759 -5.443 366 HZ PHE 42 HZ PHE 42 -9.813 -5.223 -4.896 367 H ASP 43 H ASP 43 -5.306 -10.412 -2.772 368 HA ASP 43 HA ASP 43 -4.814 -12.931 -1.340 369 HB2 ASP 43 HB3 ASP 43 -3.588 -12.204 -4.009 370 HB3 ASP 43 HB2 ASP 43 -3.456 -13.736 -3.157 371 H HIS 44 H HIS 44 -2.483 -13.243 -0.848 372 HA HIS 44 HA HIS 44 -1.226 -10.821 0.010 373 HB2 HIS 44 HB3 HIS 44 -0.201 -13.663 -0.120 374 HB3 HIS 44 HB2 HIS 44 0.713 -12.323 0.567 375 HD1 HIS 44 HD1 HIS 44 -0.694 -15.013 1.922 376 HD2 HIS 44 HD2 HIS 44 -1.664 -10.993 2.400 377 HE1 HIS 44 HE1 HIS 44 -1.905 -14.859 4.128 378 HE2 HIS 44 HE2 HIS 44 -2.493 -12.416 4.405 379 H ALA 45 H ALA 45 -0.958 -12.913 -2.786 380 HA ALA 45 HA ALA 45 1.334 -11.681 -3.930 381 HB1 ALA 45 HB1 ALA 45 0.461 -13.840 -4.709 382 HB2 ALA 45 HB2 ALA 45 0.591 -12.679 -6.030 383 HB3 ALA 45 HB3 ALA 45 -0.984 -13.031 -5.316 384 H HIS 46 H HIS 46 -2.076 -10.924 -3.896 385 HA HIS 46 HA HIS 46 -1.800 -8.716 -5.712 386 HB2 HIS 46 HB3 HIS 46 -4.041 -9.838 -4.086 387 HB3 HIS 46 HB2 HIS 46 -4.166 -8.175 -4.660 388 HD1 HIS 46 HD1 HIS 46 -5.172 -11.428 -5.657 389 HD2 HIS 46 HD2 HIS 46 -3.455 -8.186 -7.639 390 HE1 HIS 46 HE1 HIS 46 -5.651 -11.779 -8.099 391 HE2 HIS 46 HE2 HIS 46 -4.383 -9.947 -9.281 392 H THR 47 H THR 47 -1.265 -9.248 -2.375 393 HA THR 47 HA THR 47 -1.367 -6.588 -1.446 394 HB THR 47 HB THR 47 0.378 -8.908 -0.598 395 HG1 THR 47 HG1 THR 47 -1.952 -7.723 0.541 396 HG21 THR 47 HG21 THR 47 0.095 -6.169 0.642 397 HG22 THR 47 HG22 THR 47 1.565 -6.916 0.011 398 HG23 THR 47 HG23 THR 47 0.802 -7.561 1.467 399 H ARG 48 H ARG 48 1.406 -8.514 -2.620 400 HA ARG 48 HA ARG 48 3.288 -6.478 -2.747 401 HB2 ARG 48 HB3 ARG 48 3.837 -8.848 -3.113 402 HB3 ARG 48 HB2 ARG 48 2.970 -8.818 -4.642 403 HG2 ARG 48 HG3 ARG 48 4.570 -7.128 -5.475 404 HG3 ARG 48 HG2 ARG 48 5.466 -7.276 -3.964 405 HD2 ARG 48 HD3 ARG 48 6.497 -8.619 -5.708 406 HD3 ARG 48 HD2 ARG 48 5.854 -9.648 -4.430 407 HE ARG 48 HE ARG 48 3.863 -9.454 -6.339 408 HH11 ARG 48 HH11 ARG 48 7.182 -10.619 -6.255 409 HH12 ARG 48 HH12 ARG 48 6.890 -11.851 -7.455 410 HH21 ARG 48 HH22 ARG 48 3.509 -11.059 -7.901 411 HH22 ARG 48 HH21 ARG 48 4.822 -12.097 -8.383 412 H GLU 49 H GLU 49 0.822 -7.426 -5.059 413 HA GLU 49 HA GLU 49 1.633 -5.743 -7.169 414 HB2 GLU 49 HB3 GLU 49 0.093 -7.729 -7.300 415 HB3 GLU 49 HB2 GLU 49 -1.163 -6.722 -6.595 416 HG2 GLU 49 HG3 GLU 49 -1.050 -5.212 -8.487 417 HG3 GLU 49 HG2 GLU 49 0.260 -6.165 -9.186 418 H PHE 50 H PHE 50 -0.749 -5.292 -4.562 419 HA PHE 50 HA PHE 50 -1.532 -2.690 -5.436 420 HB2 PHE 50 HB3 PHE 50 -2.146 -4.453 -3.153 421 HB3 PHE 50 HB2 PHE 50 -2.278 -2.728 -2.825 422 HD1 PHE 50 HD1 PHE 50 -3.128 -4.906 -5.742 423 HD2 PHE 50 HD2 PHE 50 -4.438 -2.007 -2.917 424 HE1 PHE 50 HE1 PHE 50 -5.334 -4.845 -6.832 425 HE2 PHE 50 HE2 PHE 50 -6.645 -1.942 -4.000 426 HZ PHE 50 HZ PHE 50 -7.092 -3.355 -5.963 427 H ILE 51 H ILE 51 0.787 -3.898 -3.068 428 HA ILE 51 HA ILE 51 1.494 -1.360 -2.047 429 HB ILE 51 HB ILE 51 2.992 -3.975 -2.102 430 HG12 ILE 51 HG13 ILE 51 1.057 -3.962 -0.636 431 HG13 ILE 51 HG12 ILE 51 2.519 -3.912 0.346 432 HG21 ILE 51 HG21 ILE 51 4.636 -2.187 -2.104 433 HG22 ILE 51 HG22 ILE 51 4.588 -2.984 -0.532 434 HG23 ILE 51 HG23 ILE 51 3.815 -1.415 -0.747 435 HD11 ILE 51 HD11 ILE 51 2.221 -1.511 0.663 436 HD12 ILE 51 HD12 ILE 51 0.822 -2.425 1.226 437 HD13 ILE 51 HD13 ILE 51 0.751 -1.565 -0.312 438 H GLN 52 H GLN 52 2.766 -3.344 -4.692 439 HA GLN 52 HA GLN 52 4.971 -1.714 -5.331 440 HB2 GLN 52 HB3 GLN 52 4.761 -4.039 -6.085 441 HB3 GLN 52 HB2 GLN 52 3.412 -3.589 -7.116 442 HG2 GLN 52 HG3 GLN 52 5.442 -3.836 -8.408 443 HG3 GLN 52 HG2 GLN 52 4.884 -2.165 -8.436 444 HE21 GLN 52 HE22 GLN 52 6.055 -0.589 -7.338 445 HE22 GLN 52 HE21 GLN 52 7.687 -0.853 -6.829 446 H SER 53 H SER 53 1.612 -1.655 -6.464 447 HA SER 53 HA SER 53 2.066 0.266 -8.500 448 HB2 SER 53 HB3 SER 53 -0.497 0.627 -8.173 449 HB3 SER 53 HB2 SER 53 0.086 -0.917 -8.793 450 HG SER 53 HG SER 53 -0.406 -1.877 -6.939 451 H PHE 54 H PHE 54 1.205 0.521 -5.079 452 HA PHE 54 HA PHE 54 0.888 3.341 -5.098 453 HB2 PHE 54 HB3 PHE 54 0.193 1.662 -3.264 454 HB3 PHE 54 HB2 PHE 54 1.860 1.782 -2.709 455 HD1 PHE 54 HD2 PHE 54 2.706 3.858 -1.754 456 HD2 PHE 54 HD1 PHE 54 -1.343 3.487 -3.007 457 HE1 PHE 54 HE2 PHE 54 2.136 5.898 -0.504 458 HE2 PHE 54 HE1 PHE 54 -1.920 5.528 -1.762 459 HZ PHE 54 HZ PHE 54 -0.178 6.735 -0.507 460 H ILE 55 H ILE 55 3.640 1.226 -5.019 461 HA ILE 55 HA ILE 55 5.519 3.351 -4.425 462 HB ILE 55 HB ILE 55 6.036 0.533 -5.411 463 HG12 ILE 55 HG13 ILE 55 6.208 1.678 -2.614 464 HG13 ILE 55 HG12 ILE 55 4.910 0.644 -3.202 465 HG21 ILE 55 HG21 ILE 55 7.934 2.548 -4.208 466 HG22 ILE 55 HG22 ILE 55 7.898 2.038 -5.896 467 HG23 ILE 55 HG23 ILE 55 8.328 0.882 -4.635 468 HD11 ILE 55 HD11 ILE 55 6.507 -1.165 -3.544 469 HD12 ILE 55 HD12 ILE 55 6.505 -0.608 -1.871 470 HD13 ILE 55 HD13 ILE 55 7.808 -0.128 -2.959 471 H GLU 56 H GLU 56 3.906 2.080 -7.171 472 HA GLU 56 HA GLU 56 5.752 3.106 -9.111 473 HB2 GLU 56 HB3 GLU 56 4.104 1.301 -9.622 474 HB3 GLU 56 HB2 GLU 56 2.811 2.481 -9.457 475 HG2 GLU 56 HG3 GLU 56 3.790 3.775 -11.304 476 HG3 GLU 56 HG2 GLU 56 5.027 2.533 -11.493 477 H ARG 57 H ARG 57 3.221 4.347 -7.140 478 HA ARG 57 HA ARG 57 2.512 6.689 -8.416 479 HB2 ARG 57 HB3 ARG 57 1.457 6.115 -6.341 480 HB3 ARG 57 HB2 ARG 57 2.990 6.206 -5.475 481 HG2 ARG 57 HG3 ARG 57 3.031 8.656 -6.289 482 HG3 ARG 57 HG2 ARG 57 1.306 8.418 -6.566 483 HD2 ARG 57 HD3 ARG 57 0.834 8.244 -4.337 484 HD3 ARG 57 HD2 ARG 57 2.439 7.625 -3.935 485 HE ARG 57 HE ARG 57 3.178 10.012 -4.542 486 HH11 ARG 57 HH11 ARG 57 0.142 9.187 -3.003 487 HH12 ARG 57 HH12 ARG 57 -0.012 10.719 -2.197 488 HH21 ARG 57 HH22 ARG 57 2.978 12.018 -3.518 489 HH22 ARG 57 HH21 ARG 57 1.599 12.350 -2.510 490 H ASP 58 H ASP 58 5.310 6.273 -6.183 491 HA ASP 58 HA ASP 58 6.201 8.937 -6.569 492 HB2 ASP 58 HB3 ASP 58 8.332 8.195 -5.519 493 HB3 ASP 58 HB2 ASP 58 6.904 7.796 -4.573 494 H ASP 59 H ASP 59 6.817 5.952 -8.263 495 HA ASP 59 HA ASP 59 8.917 6.904 -9.907 496 HB2 ASP 59 HB3 ASP 59 8.455 4.526 -9.777 497 HB3 ASP 59 HB2 ASP 59 6.826 4.771 -10.403 498 H THR 60 H THR 60 5.469 7.282 -9.944 499 HA THR 60 HA THR 60 5.378 8.445 -12.584 500 HB THR 60 HB THR 60 3.238 8.487 -10.443 501 HG1 THR 60 HG1 THR 60 4.000 6.331 -11.062 502 HG21 THR 60 HG21 THR 60 1.702 8.720 -12.349 503 HG22 THR 60 HG22 THR 60 3.081 8.765 -13.450 504 HG23 THR 60 HG23 THR 60 2.846 10.060 -12.276 505 H GLU 61 H GLU 61 5.682 9.538 -9.265 506 HA GLU 61 HA GLU 61 5.385 12.323 -9.876 507 HB2 GLU 61 HB3 GLU 61 6.741 10.943 -7.543 508 HB3 GLU 61 HB2 GLU 61 6.437 12.672 -7.645 509 HG2 GLU 61 HG3 GLU 61 4.042 12.270 -7.689 510 HG3 GLU 61 HG2 GLU 61 4.318 10.530 -7.653 511 H LEU 62 H LEU 62 8.003 10.016 -9.690 512 HA LEU 62 HA LEU 62 10.128 11.791 -10.310 513 HB2 LEU 62 HB3 LEU 62 10.425 9.574 -9.282 514 HB3 LEU 62 HB2 LEU 62 9.843 8.814 -10.747 515 HG LEU 62 HG LEU 62 11.816 9.649 -11.961 516 HD11 LEU 62 HD11 LEU 62 12.698 10.657 -9.258 517 HD12 LEU 62 HD12 LEU 62 12.245 11.658 -10.638 518 HD13 LEU 62 HD13 LEU 62 13.678 10.634 -10.725 519 HD21 LEU 62 HD21 LEU 62 12.403 8.109 -9.435 520 HD22 LEU 62 HD22 LEU 62 13.458 8.191 -10.848 521 HD23 LEU 62 HD23 LEU 62 11.869 7.437 -10.976 522 H ASP 63 H ASP 63 7.647 10.295 -12.141 523 HA ASP 63 HA ASP 63 8.835 10.237 -14.690 524 HB2 ASP 63 HB3 ASP 63 6.750 9.043 -14.126 525 HB3 ASP 63 HB2 ASP 63 5.916 10.584 -13.976 526 H GLU 64 H GLU 64 7.397 12.814 -12.822 527 HA GLU 64 HA GLU 64 7.076 14.695 -14.891 528 HB2 GLU 64 HB3 GLU 64 7.572 15.010 -11.940 529 HB3 GLU 64 HB2 GLU 64 7.445 16.401 -13.007 530 HG2 GLU 64 HG3 GLU 64 5.207 15.455 -13.728 531 HG3 GLU 64 HG2 GLU 64 5.347 14.364 -12.350 532 H LEU 65 H LEU 65 9.843 13.954 -12.805 533 HA LEU 65 HA LEU 65 11.556 15.938 -13.862 534 HB2 LEU 65 HB3 LEU 65 12.261 13.278 -12.606 535 HB3 LEU 65 HB2 LEU 65 13.384 14.596 -12.878 536 HG LEU 65 HG LEU 65 10.988 14.709 -11.041 537 HD11 LEU 65 HD11 LEU 65 12.633 14.709 -9.238 538 HD12 LEU 65 HD12 LEU 65 13.931 14.503 -10.415 539 HD13 LEU 65 HD13 LEU 65 12.732 13.229 -10.190 540 HD21 LEU 65 HD21 LEU 65 11.957 16.831 -10.296 541 HD22 LEU 65 HD22 LEU 65 11.528 16.879 -12.007 542 HD23 LEU 65 HD23 LEU 65 13.214 16.687 -11.525 543 H LYS 66 H LYS 66 10.756 12.675 -14.822 544 HA LYS 66 HA LYS 66 12.734 12.456 -16.872 545 HB2 LYS 66 HB3 LYS 66 10.149 10.939 -16.469 546 HB3 LYS 66 HB2 LYS 66 11.423 10.490 -17.594 547 HG2 LYS 66 HG3 LYS 66 12.940 10.043 -15.796 548 HG3 LYS 66 HG2 LYS 66 11.791 10.675 -14.613 549 HD2 LYS 66 HD3 LYS 66 10.237 8.887 -15.121 550 HD3 LYS 66 HD2 LYS 66 11.307 8.285 -16.387 551 HE2 LYS 66 HE3 LYS 66 12.030 8.450 -13.465 552 HE3 LYS 66 HE2 LYS 66 11.433 6.997 -14.267 553 HZ1 LYS 66 HZ1 LYS 66 13.978 8.432 -14.799 554 HZ2 LYS 66 HZ2 LYS 66 13.369 7.203 -15.801 555 HZ3 LYS 66 HZ3 LYS 66 13.780 6.859 -14.194 556 H LYS 67 H LYS 67 9.606 13.896 -16.653 557 HA LYS 67 HA LYS 67 9.151 13.938 -19.518 558 HB2 LYS 67 HB3 LYS 67 7.241 13.677 -18.018 559 HB3 LYS 67 HB2 LYS 67 7.624 15.203 -17.233 560 HG2 LYS 67 HG3 LYS 67 7.227 16.354 -19.393 561 HG3 LYS 67 HG2 LYS 67 6.712 14.810 -20.074 562 HD2 LYS 67 HD3 LYS 67 4.923 14.675 -18.410 563 HD3 LYS 67 HD2 LYS 67 5.443 16.217 -17.725 564 HE2 LYS 67 HE3 LYS 67 4.492 15.809 -20.558 565 HE3 LYS 67 HE2 LYS 67 3.506 16.440 -19.241 566 HZ1 LYS 67 HZ1 LYS 67 4.888 18.348 -19.078 567 HZ2 LYS 67 HZ2 LYS 67 4.486 18.161 -20.713 568 HZ3 LYS 67 HZ3 LYS 67 6.028 17.714 -20.164 569 H LYS 68 H LYS 68 10.142 16.130 -16.965 570 HA LYS 68 HA LYS 68 10.179 18.441 -18.711 571 HB2 LYS 68 HB3 LYS 68 11.206 18.114 -15.879 572 HB3 LYS 68 HB2 LYS 68 10.953 19.639 -16.721 573 HG2 LYS 68 HG3 LYS 68 8.599 19.357 -16.714 574 HG3 LYS 68 HG2 LYS 68 8.737 17.680 -16.187 575 HD2 LYS 68 HD3 LYS 68 9.801 18.560 -14.072 576 HD3 LYS 68 HD2 LYS 68 9.313 20.174 -14.599 577 HE2 LYS 68 HE3 LYS 68 6.980 19.448 -14.672 578 HE3 LYS 68 HE2 LYS 68 7.461 17.829 -14.167 579 HZ1 LYS 68 HZ1 LYS 68 7.656 20.332 -12.584 580 HZ2 LYS 68 HZ2 LYS 68 8.333 18.853 -12.097 581 HZ3 LYS 68 HZ3 LYS 68 6.655 18.995 -12.279 582 H ARG 69 H ARG 69 11.883 15.998 -19.099 583 HA ARG 69 HA ARG 69 14.589 16.593 -18.440 584 HB2 ARG 69 HB3 ARG 69 13.450 14.332 -18.757 585 HB3 ARG 69 HB2 ARG 69 13.572 14.620 -20.482 586 HG2 ARG 69 HG3 ARG 69 16.008 14.695 -20.298 587 HG3 ARG 69 HG2 ARG 69 15.879 14.407 -18.559 588 HD2 ARG 69 HD3 ARG 69 14.717 12.284 -19.023 589 HD3 ARG 69 HD2 ARG 69 14.926 12.564 -20.750 590 HE ARG 69 HE ARG 69 17.321 12.459 -19.067 591 HH11 ARG 69 HH11 ARG 69 15.231 10.928 -21.434 592 HH12 ARG 69 HH12 ARG 69 16.422 9.753 -21.907 593 HH21 ARG 69 HH22 ARG 69 18.884 10.886 -19.675 594 HH22 ARG 69 HH21 ARG 69 18.486 9.724 -20.909 595 H ARG 70 H ARG 70 13.283 18.675 -20.045 596 HA ARG 70 HA ARG 70 14.907 18.554 -22.500 597 HB2 ARG 70 HB3 ARG 70 12.364 20.120 -22.037 598 HB3 ARG 70 HB2 ARG 70 13.280 20.051 -23.537 599 HG2 ARG 70 HG3 ARG 70 12.771 17.714 -23.796 600 HG3 ARG 70 HG2 ARG 70 11.966 17.683 -22.227 601 HD2 ARG 70 HD3 ARG 70 10.336 19.339 -23.083 602 HD3 ARG 70 HD2 ARG 70 11.106 19.229 -24.666 603 HE ARG 70 HE ARG 70 10.533 16.695 -24.289 604 HH11 ARG 70 HH11 ARG 70 8.547 19.517 -23.670 605 HH12 ARG 70 HH12 ARG 70 7.051 18.644 -23.832 606 HH21 ARG 70 HH22 ARG 70 8.570 15.567 -24.537 607 HH22 ARG 70 HH21 ARG 70 7.063 16.419 -24.328 608 H SER 71 H SER 71 13.294 21.113 -20.655 609 HA SER 71 HA SER 71 15.828 22.619 -20.704 610 HB2 SER 71 HB3 SER 71 13.899 23.591 -21.994 611 HB3 SER 71 HB2 SER 71 13.027 23.748 -20.470 612 HG SER 71 HG SER 71 14.029 25.563 -20.239 613 H ASN 72 H ASN 72 13.674 20.974 -18.756 614 HA ASN 72 HA ASN 72 14.748 22.268 -16.334 615 HB2 ASN 72 HB3 ASN 72 12.217 22.539 -16.833 616 HB3 ASN 72 HB2 ASN 72 12.091 20.828 -16.457 617 HD21 ASN 72 HD22 ASN 72 14.016 20.824 -14.315 618 HD22 ASN 72 HD21 ASN 72 13.302 21.683 -12.995 619 H ARG 73 H ARG 73 16.275 20.458 -17.443 620 HA ARG 73 HA ARG 73 15.704 17.758 -17.347 621 HB2 ARG 73 HB3 ARG 73 18.061 17.368 -17.504 622 HB3 ARG 73 HB2 ARG 73 17.706 18.831 -18.411 623 HG2 ARG 73 HG3 ARG 73 18.456 20.169 -16.478 624 HG3 ARG 73 HG2 ARG 73 18.898 18.673 -15.653 625 HD2 ARG 73 HD3 ARG 73 20.405 18.158 -17.581 626 HD3 ARG 73 HD2 ARG 73 20.062 19.772 -18.206 627 HE ARG 73 HE ARG 73 21.431 19.200 -15.659 628 HH11 ARG 73 HH11 ARG 73 20.771 21.314 -18.367 629 HH12 ARG 73 HH12 ARG 73 21.949 22.501 -17.891 630 HH21 ARG 73 HH22 ARG 73 22.962 20.757 -15.018 631 HH22 ARG 73 HH21 ARG 73 23.193 22.182 -15.988 632 HA PRO 74 HA PRO 74 15.249 16.377 -13.253 633 HB2 PRO 74 HB2 PRO 74 17.253 14.270 -13.886 634 HB3 PRO 74 HB3 PRO 74 15.613 14.110 -13.248 635 HG2 PRO 74 HG3 PRO 74 16.169 13.538 -15.794 636 HG3 PRO 74 HG2 PRO 74 14.640 14.312 -15.333 637 HD2 PRO 74 HD3 PRO 74 17.044 15.485 -16.638 638 HD3 PRO 74 HD2 PRO 74 15.332 15.901 -16.839 639 HA PRO 75 HA PRO 75 18.932 18.237 -11.322 640 HB2 PRO 75 HB2 PRO 75 17.086 18.321 -9.035 641 HB3 PRO 75 HB3 PRO 75 17.975 19.647 -9.801 642 HG2 PRO 75 HG3 PRO 75 15.314 19.421 -10.062 643 HG3 PRO 75 HG2 PRO 75 16.329 20.010 -11.392 644 HD2 PRO 75 HD3 PRO 75 15.137 17.291 -10.979 645 HD3 PRO 75 HD2 PRO 75 15.254 18.255 -12.468 646 H SER 76 H SER 76 20.430 17.023 -10.254 647 HA SER 76 HA SER 76 19.861 14.485 -9.182 648 HB2 SER 76 HB3 SER 76 22.192 16.306 -8.523 649 HB3 SER 76 HB2 SER 76 22.121 14.564 -8.250 650 HG SER 76 HG SER 76 22.308 15.992 -10.674 651 H ASN 77 H ASN 77 19.985 17.708 -7.779 652 HA ASN 77 HA ASN 77 19.815 16.998 -5.071 653 HB2 ASN 77 HB3 ASN 77 18.883 19.462 -6.537 654 HB3 ASN 77 HB2 ASN 77 18.753 19.293 -4.791 655 HD21 ASN 77 HD22 ASN 77 20.640 19.230 -3.546 656 HD22 ASN 77 HD21 ASN 77 22.152 19.809 -4.163 657 H ARG 78 H ARG 78 17.355 17.129 -7.545 658 HA ARG 78 HA ARG 78 15.267 16.795 -5.523 659 HB2 ARG 78 HB3 ARG 78 15.048 17.336 -8.488 660 HB3 ARG 78 HB2 ARG 78 13.681 17.150 -7.399 661 HG2 ARG 78 HG3 ARG 78 15.774 19.314 -7.304 662 HG3 ARG 78 HG2 ARG 78 14.085 19.488 -7.789 663 HD2 ARG 78 HD3 ARG 78 13.374 18.865 -5.535 664 HD3 ARG 78 HD2 ARG 78 15.059 18.677 -5.052 665 HE ARG 78 HE ARG 78 14.209 21.288 -6.067 666 HH11 ARG 78 HH11 ARG 78 15.164 19.276 -3.364 667 HH12 ARG 78 HH12 ARG 78 15.394 20.607 -2.273 668 HH21 ARG 78 HH22 ARG 78 14.465 23.055 -4.611 669 HH22 ARG 78 HH21 ARG 78 14.959 22.746 -2.970 670 H GLN 79 H GLN 79 16.412 15.269 -8.529 671 HA GLN 79 HA GLN 79 14.709 13.063 -8.543 672 HB2 GLN 79 HB3 GLN 79 16.196 13.743 -10.410 673 HB3 GLN 79 HB2 GLN 79 17.580 13.182 -9.486 674 HG2 GLN 79 HG3 GLN 79 16.577 10.905 -9.490 675 HG3 GLN 79 HG2 GLN 79 15.327 11.514 -10.575 676 HE21 GLN 79 HE22 GLN 79 17.284 9.433 -11.053 677 HE22 GLN 79 HE21 GLN 79 18.199 9.937 -12.433 678 H VAL 80 H VAL 80 17.877 13.493 -6.991 679 HA VAL 80 HA VAL 80 17.984 10.765 -6.096 680 HB VAL 80 HB VAL 80 19.601 13.162 -5.207 681 HG11 VAL 80 HG11 VAL 80 21.147 11.544 -4.210 682 HG12 VAL 80 HG12 VAL 80 20.039 10.234 -4.616 683 HG13 VAL 80 HG13 VAL 80 19.557 11.467 -3.450 684 HG21 VAL 80 HG21 VAL 80 20.251 10.888 -7.081 685 HG22 VAL 80 HG22 VAL 80 21.370 12.156 -6.582 686 HG23 VAL 80 HG23 VAL 80 19.946 12.563 -7.540 687 H LEU 81 H LEU 81 17.071 13.840 -4.621 688 HA LEU 81 HA LEU 81 16.677 12.912 -2.000 689 HB2 LEU 81 HB3 LEU 81 16.775 15.306 -2.729 690 HB3 LEU 81 HB2 LEU 81 15.163 15.120 -3.393 691 HG LEU 81 HG LEU 81 14.341 14.573 -1.102 692 HD11 LEU 81 HD11 LEU 81 16.426 13.789 -0.137 693 HD12 LEU 81 HD12 LEU 81 15.778 15.134 0.804 694 HD13 LEU 81 HD13 LEU 81 17.128 15.399 -0.302 695 HD21 LEU 81 HD21 LEU 81 14.421 16.879 -0.285 696 HD22 LEU 81 HD22 LEU 81 14.114 16.818 -2.021 697 HD23 LEU 81 HD23 LEU 81 15.721 17.237 -1.424 698 H LEU 82 H LEU 82 14.501 13.121 -4.774 699 HA LEU 82 HA LEU 82 12.188 12.134 -3.498 700 HB2 LEU 82 HB3 LEU 82 12.085 13.288 -5.627 701 HB3 LEU 82 HB2 LEU 82 13.059 12.048 -6.389 702 HG LEU 82 HG LEU 82 11.232 10.426 -6.089 703 HD11 LEU 82 HD11 LEU 82 10.187 11.353 -4.096 704 HD12 LEU 82 HD12 LEU 82 9.011 11.205 -5.406 705 HD13 LEU 82 HD13 LEU 82 9.693 12.782 -5.005 706 HD21 LEU 82 HD21 LEU 82 11.396 11.708 -8.152 707 HD22 LEU 82 HD22 LEU 82 10.399 12.981 -7.450 708 HD23 LEU 82 HD23 LEU 82 9.712 11.383 -7.739 709 H GLN 83 H GLN 83 14.755 10.514 -5.353 710 HA GLN 83 HA GLN 83 13.701 7.918 -5.191 711 HB2 GLN 83 HB3 GLN 83 15.542 8.515 -6.715 712 HB3 GLN 83 HB2 GLN 83 16.614 8.718 -5.333 713 HG2 GLN 83 HG3 GLN 83 16.138 6.327 -4.742 714 HG3 GLN 83 HG2 GLN 83 15.321 6.185 -6.295 715 HE21 GLN 83 HE22 GLN 83 17.681 4.853 -5.196 716 HE22 GLN 83 HE21 GLN 83 18.942 5.110 -6.375 717 H GLN 84 H GLN 84 15.669 9.761 -2.916 718 HA GLN 84 HA GLN 84 16.463 7.698 -1.223 719 HB2 GLN 84 HB3 GLN 84 15.792 10.569 -0.606 720 HB3 GLN 84 HB2 GLN 84 16.426 9.460 0.601 721 HG2 GLN 84 HG3 GLN 84 18.391 9.091 -0.902 722 HG3 GLN 84 HG2 GLN 84 17.776 10.399 -1.912 723 HE21 GLN 84 HE22 GLN 84 20.267 10.199 -0.426 724 HE22 GLN 84 HE21 GLN 84 20.288 11.558 0.653 725 H ARG 85 H ARG 85 13.392 9.395 -1.411 726 HA ARG 85 HA ARG 85 12.273 8.249 0.942 727 HB2 ARG 85 HB3 ARG 85 10.967 9.446 -1.507 728 HB3 ARG 85 HB2 ARG 85 10.095 8.967 -0.056 729 HG2 ARG 85 HG3 ARG 85 11.351 10.579 1.253 730 HG3 ARG 85 HG2 ARG 85 12.271 11.039 -0.179 731 HD2 ARG 85 HD3 ARG 85 10.285 11.872 -1.249 732 HD3 ARG 85 HD2 ARG 85 9.279 11.285 0.078 733 HE ARG 85 HE ARG 85 11.100 12.955 1.263 734 HH11 ARG 85 HH11 ARG 85 8.723 13.285 -1.291 735 HH12 ARG 85 HH12 ARG 85 8.413 14.965 -0.958 736 HH21 ARG 85 HH22 ARG 85 10.710 15.137 1.700 737 HH22 ARG 85 HH21 ARG 85 9.555 16.023 0.754 738 H ARG 86 H ARG 86 12.302 7.370 -2.460 739 HA ARG 86 HA ARG 86 10.555 5.170 -2.303 740 HB2 ARG 86 HB3 ARG 86 11.163 6.194 -4.427 741 HB3 ARG 86 HB2 ARG 86 12.843 5.728 -4.201 742 HG2 ARG 86 HG3 ARG 86 12.252 3.389 -4.382 743 HG3 ARG 86 HG2 ARG 86 10.542 3.811 -4.511 744 HD2 ARG 86 HD3 ARG 86 10.998 5.032 -6.578 745 HD3 ARG 86 HD2 ARG 86 12.707 4.623 -6.445 746 HE ARG 86 HE ARG 86 12.216 2.413 -7.039 747 HH11 ARG 86 HH11 ARG 86 9.330 4.396 -6.854 748 HH12 ARG 86 HH12 ARG 86 8.357 3.267 -7.750 749 HH21 ARG 86 HH22 ARG 86 10.956 0.944 -8.230 750 HH22 ARG 86 HH21 ARG 86 9.289 1.299 -8.553 751 H ASP 87 H ASP 87 14.118 5.323 -2.231 752 HA ASP 87 HA ASP 87 14.507 2.570 -1.766 753 HB2 ASP 87 HB3 ASP 87 16.217 5.001 -1.459 754 HB3 ASP 87 HB2 ASP 87 16.762 3.487 -0.744 755 H GLN 88 H GLN 88 14.091 5.287 0.448 756 HA GLN 88 HA GLN 88 14.603 3.928 2.853 757 HB2 GLN 88 HB3 GLN 88 14.409 6.354 2.750 758 HB3 GLN 88 HB2 GLN 88 12.721 6.225 2.280 759 HG2 GLN 88 HG3 GLN 88 12.180 5.267 4.453 760 HG3 GLN 88 HG2 GLN 88 13.878 5.363 4.923 761 HE21 GLN 88 HE22 GLN 88 11.486 6.617 6.089 762 HE22 GLN 88 HE21 GLN 88 11.813 8.323 6.093 763 H GLU 89 H GLU 89 11.591 4.441 1.069 764 HA GLU 89 HA GLU 89 9.866 3.062 2.799 765 HB2 GLU 89 HB3 GLU 89 9.333 4.585 0.787 766 HB3 GLU 89 HB2 GLU 89 9.555 3.146 -0.197 767 HG2 GLU 89 HG3 GLU 89 7.284 3.176 0.123 768 HG3 GLU 89 HG2 GLU 89 7.822 2.084 1.399 769 H LEU 90 H LEU 90 11.617 1.993 -0.102 770 HA LEU 90 HA LEU 90 10.745 -0.669 -0.107 771 HB2 LEU 90 HB3 LEU 90 13.326 0.524 -1.119 772 HB3 LEU 90 HB2 LEU 90 12.802 -1.116 -1.451 773 HG LEU 90 HG LEU 90 11.344 1.387 -2.306 774 HD11 LEU 90 HD11 LEU 90 12.989 -0.583 -3.890 775 HD12 LEU 90 HD12 LEU 90 13.430 1.085 -3.520 776 HD13 LEU 90 HD13 LEU 90 12.049 0.748 -4.565 777 HD21 LEU 90 HD21 LEU 90 10.809 -1.515 -2.924 778 HD22 LEU 90 HD22 LEU 90 9.955 -0.137 -3.617 779 HD23 LEU 90 HD23 LEU 90 9.829 -0.476 -1.891 780 H LYS 91 H LYS 91 13.406 0.884 1.602 781 HA LYS 91 HA LYS 91 14.669 -1.489 2.477 782 HB2 LYS 91 HB3 LYS 91 15.741 0.750 2.487 783 HB3 LYS 91 HB2 LYS 91 14.676 1.231 3.799 784 HG2 LYS 91 HG3 LYS 91 16.893 0.631 4.614 785 HG3 LYS 91 HG2 LYS 91 15.659 -0.461 5.244 786 HD2 LYS 91 HD3 LYS 91 16.275 -2.157 3.646 787 HD3 LYS 91 HD2 LYS 91 17.400 -1.056 2.853 788 HE2 LYS 91 HE3 LYS 91 18.591 -2.619 4.285 789 HE3 LYS 91 HE2 LYS 91 18.753 -0.973 4.888 790 HZ1 LYS 91 HZ1 LYS 91 16.847 -2.996 5.948 791 HZ2 LYS 91 HZ2 LYS 91 17.088 -1.429 6.558 792 HZ3 LYS 91 HZ3 LYS 91 18.327 -2.581 6.658 793 H GLU 92 H GLU 92 11.984 0.391 3.699 794 HA GLU 92 HA GLU 92 11.860 -0.936 6.227 795 HB2 GLU 92 HB3 GLU 92 10.843 1.356 5.510 796 HB3 GLU 92 HB2 GLU 92 9.497 0.384 4.930 797 HG2 GLU 92 HG3 GLU 92 9.038 1.203 7.152 798 HG3 GLU 92 HG2 GLU 92 9.216 -0.553 7.178 799 H PHE 93 H PHE 93 10.144 -1.269 3.134 800 HA PHE 93 HA PHE 93 8.529 -3.457 3.903 801 HB2 PHE 93 HB3 PHE 93 9.453 -2.424 1.235 802 HB3 PHE 93 HB2 PHE 93 8.521 -3.912 1.352 803 HD1 PHE 93 HD2 PHE 93 6.206 -3.867 2.132 804 HD2 PHE 93 HD1 PHE 93 8.435 -0.285 1.581 805 HE1 PHE 93 HE2 PHE 93 4.119 -2.568 2.168 806 HE2 PHE 93 HE1 PHE 93 6.351 1.020 1.616 807 HZ PHE 93 HZ PHE 93 4.188 -0.120 1.910 808 H LYS 94 H LYS 94 11.831 -3.222 2.867 809 HA LYS 94 HA LYS 94 12.244 -5.954 2.207 810 HB2 LYS 94 HB3 LYS 94 13.690 -4.003 1.524 811 HB3 LYS 94 HB2 LYS 94 14.297 -3.953 3.171 812 HG2 LYS 94 HG3 LYS 94 15.180 -6.227 2.904 813 HG3 LYS 94 HG2 LYS 94 14.597 -6.245 1.237 814 HD2 LYS 94 HD3 LYS 94 16.011 -4.260 0.775 815 HD3 LYS 94 HD2 LYS 94 16.652 -4.372 2.412 816 HE2 LYS 94 HE3 LYS 94 18.204 -5.398 0.892 817 HE3 LYS 94 HE2 LYS 94 17.470 -6.649 1.892 818 HZ1 LYS 94 HZ1 LYS 94 17.681 -7.097 -0.585 819 HZ2 LYS 94 HZ2 LYS 94 16.416 -5.988 -0.792 820 HZ3 LYS 94 HZ3 LYS 94 16.169 -7.398 0.122 821 H ALA 95 H ALA 95 11.891 -4.294 5.165 822 HA ALA 95 HA ALA 95 12.912 -6.630 6.647 823 HB1 ALA 95 HB1 ALA 95 13.209 -5.152 8.564 824 HB2 ALA 95 HB2 ALA 95 12.588 -3.793 7.625 825 HB3 ALA 95 HB3 ALA 95 14.111 -4.556 7.170 826 H GLY 96 H GLY 96 10.203 -5.659 5.395 827 HA2 GLY 96 HA3 GLY 96 8.053 -6.440 5.914 828 HA3 GLY 96 HA2 GLY 96 8.562 -6.670 7.580 829 H PHE 97 H PHE 97 6.542 -4.946 5.735 830 HA PHE 97 HA PHE 97 6.690 -2.574 7.486 831 HB2 PHE 97 HB3 PHE 97 7.039 -2.135 5.042 832 HB3 PHE 97 HB2 PHE 97 5.429 -2.773 4.735 833 HD1 PHE 97 HD2 PHE 97 7.236 -0.108 6.585 834 HD2 PHE 97 HD1 PHE 97 3.575 -1.369 4.817 835 HE1 PHE 97 HE2 PHE 97 6.292 2.134 6.951 836 HE2 PHE 97 HE1 PHE 97 2.626 0.872 5.179 837 HZ PHE 97 HZ PHE 97 3.983 2.627 6.247 838 H LEU 98 H LEU 98 4.606 -1.709 8.194 839 HA LEU 98 HA LEU 98 2.814 -3.811 8.941 840 HB2 LEU 98 HB3 LEU 98 3.377 -1.777 10.335 841 HB3 LEU 98 HB2 LEU 98 2.364 -0.846 9.248 842 HG LEU 98 HG LEU 98 0.444 -2.317 9.863 843 HD11 LEU 98 HD11 LEU 98 2.372 -3.363 11.929 844 HD12 LEU 98 HD12 LEU 98 1.708 -4.273 10.572 845 HD13 LEU 98 HD13 LEU 98 0.645 -3.709 11.861 846 HD21 LEU 98 HD21 LEU 98 1.793 -0.891 12.150 847 HD22 LEU 98 HD22 LEU 98 0.084 -1.315 12.058 848 HD23 LEU 98 HD23 LEU 98 0.764 -0.145 10.926 849 H CYS 99 H CYS 99 1.516 -4.660 7.469 850 HA CYS 99 HA CYS 99 0.019 -2.839 5.712 851 HB2 CYS 99 HB3 CYS 99 1.805 -3.914 4.412 852 HB3 CYS 99 HB2 CYS 99 1.257 -5.498 4.947 853 HG CYS 99 HG CYS 99 -1.237 -5.273 3.622 854 HA PRO 100 HA PRO 100 -3.500 -5.066 7.275 855 HB2 PRO 100 HB2 PRO 100 -5.220 -4.579 5.197 856 HB3 PRO 100 HB3 PRO 100 -4.886 -3.425 6.490 857 HG2 PRO 100 HG3 PRO 100 -3.790 -3.539 3.719 858 HG3 PRO 100 HG2 PRO 100 -4.260 -2.130 4.685 859 HD2 PRO 100 HD3 PRO 100 -1.675 -2.879 4.343 860 HD3 PRO 100 HD2 PRO 100 -2.256 -2.078 5.819 861 H ASP 101 H ASP 101 -4.002 -7.169 7.149 862 HA ASP 101 HA ASP 101 -2.970 -8.777 5.043 863 HB2 ASP 101 HB3 ASP 101 -3.138 -9.732 7.261 864 HB3 ASP 101 HB2 ASP 101 -4.881 -9.466 7.282 865 H LEU 102 H LEU 102 -3.926 -9.478 3.243 866 HA LEU 102 HA LEU 102 -6.629 -8.472 2.740 867 HB2 LEU 102 HB3 LEU 102 -4.464 -9.269 0.797 868 HB3 LEU 102 HB2 LEU 102 -6.052 -8.680 0.350 869 HG LEU 102 HG LEU 102 -3.852 -7.139 1.717 870 HD11 LEU 102 HD11 LEU 102 -3.582 -7.368 -0.668 871 HD12 LEU 102 HD12 LEU 102 -4.059 -5.713 -0.281 872 HD13 LEU 102 HD13 LEU 102 -5.245 -6.843 -0.936 873 HD21 LEU 102 HD21 LEU 102 -6.678 -6.258 1.125 874 HD22 LEU 102 HD22 LEU 102 -5.377 -5.226 1.721 875 HD23 LEU 102 HD23 LEU 102 -5.994 -6.537 2.727 876 H SER 103 H SER 103 -5.853 -11.107 4.060 877 HA SER 103 HA SER 103 -7.338 -12.792 2.158 878 HB2 SER 103 HB3 SER 103 -6.387 -14.765 3.314 879 HB3 SER 103 HB2 SER 103 -5.148 -13.747 2.585 880 HG SER 103 HG SER 103 -5.337 -12.802 4.977 881 H ASP 104 H ASP 104 -7.113 -11.678 5.482 882 HA ASP 104 HA ASP 104 -9.472 -13.111 6.317 883 HB2 ASP 104 HB3 ASP 104 -7.716 -12.494 7.939 884 HB3 ASP 104 HB2 ASP 104 -8.049 -10.789 7.642 885 H ALA 105 H ALA 105 -11.526 -12.493 6.122 886 HA ALA 105 HA ALA 105 -12.087 -10.257 4.407 887 HB1 ALA 105 HB1 ALA 105 -14.392 -11.036 4.492 888 HB2 ALA 105 HB2 ALA 105 -13.996 -12.127 5.821 889 HB3 ALA 105 HB3 ALA 105 -13.294 -12.391 4.224 890 H LYS 106 H LYS 106 -12.145 -10.791 7.842 891 HA LYS 106 HA LYS 106 -13.987 -8.667 8.413 892 HB2 LYS 106 HB3 LYS 106 -11.990 -9.973 10.270 893 HB3 LYS 106 HB2 LYS 106 -13.364 -8.981 10.743 894 HG2 LYS 106 HG3 LYS 106 -14.834 -10.693 9.630 895 HG3 LYS 106 HG2 LYS 106 -13.400 -11.710 9.496 896 HD2 LYS 106 HD3 LYS 106 -13.126 -11.567 11.955 897 HD3 LYS 106 HD2 LYS 106 -14.637 -10.659 12.036 898 HE2 LYS 106 HE3 LYS 106 -14.236 -13.506 11.148 899 HE3 LYS 106 HE2 LYS 106 -15.154 -12.926 12.535 900 HZ1 LYS 106 HZ1 LYS 106 -16.678 -13.498 10.819 901 HZ2 LYS 106 HZ2 LYS 106 -15.835 -12.587 9.665 902 HZ3 LYS 106 HZ3 LYS 106 -16.660 -11.806 10.925 903 H ASN 107 H ASN 107 -10.466 -9.061 8.588 904 HA ASN 107 HA ASN 107 -9.773 -6.452 9.278 905 HB2 ASN 107 HB3 ASN 107 -8.377 -8.488 7.540 906 HB3 ASN 107 HB2 ASN 107 -7.661 -6.921 7.902 907 HD21 ASN 107 HD22 ASN 107 -6.836 -9.666 8.585 908 HD22 ASN 107 HD21 ASN 107 -6.673 -9.690 10.306 909 H MET 108 H MET 108 -10.408 -7.854 6.086 910 HA MET 108 HA MET 108 -9.870 -5.454 4.676 911 HB2 MET 108 HB3 MET 108 -11.416 -7.910 3.860 912 HB3 MET 108 HB2 MET 108 -11.048 -6.576 2.775 913 HG2 MET 108 HG3 MET 108 -8.583 -7.085 3.641 914 HG3 MET 108 HG2 MET 108 -9.287 -8.687 3.858 915 HE1 MET 108 HE1 MET 108 -8.482 -5.810 1.322 916 HE2 MET 108 HE2 MET 108 -10.238 -5.980 1.237 917 HE3 MET 108 HE3 MET 108 -9.239 -6.421 -0.150 918 H GLU 109 H GLU 109 -12.751 -6.739 6.206 919 HA GLU 109 HA GLU 109 -14.567 -4.965 4.916 920 HB2 GLU 109 HB3 GLU 109 -15.164 -7.118 6.125 921 HB3 GLU 109 HB2 GLU 109 -14.961 -6.227 7.629 922 HG2 GLU 109 HG3 GLU 109 -17.297 -6.332 6.995 923 HG3 GLU 109 HG2 GLU 109 -16.713 -4.670 6.948 924 H PHE 110 H PHE 110 -12.809 -4.853 8.012 925 HA PHE 110 HA PHE 110 -13.787 -2.325 8.820 926 HB2 PHE 110 HB3 PHE 110 -11.118 -3.626 9.416 927 HB3 PHE 110 HB2 PHE 110 -11.731 -2.186 10.219 928 HD1 PHE 110 HD1 PHE 110 -14.485 -2.811 10.785 929 HD2 PHE 110 HD2 PHE 110 -11.055 -5.323 10.946 930 HE1 PHE 110 HE1 PHE 110 -15.600 -4.215 12.470 931 HE2 PHE 110 HE2 PHE 110 -12.166 -6.738 12.629 932 HZ PHE 110 HZ PHE 110 -14.441 -6.184 13.392 933 H LEU 111 H LEU 111 -11.093 -3.337 6.810 934 HA LEU 111 HA LEU 111 -9.933 -0.842 6.301 935 HB2 LEU 111 HB3 LEU 111 -8.845 -2.932 5.750 936 HB3 LEU 111 HB2 LEU 111 -10.113 -3.345 4.620 937 HG LEU 111 HG LEU 111 -8.519 -0.877 4.095 938 HD11 LEU 111 HD11 LEU 111 -6.820 -2.205 2.944 939 HD12 LEU 111 HD12 LEU 111 -7.567 -3.684 3.549 940 HD13 LEU 111 HD13 LEU 111 -6.835 -2.542 4.675 941 HD21 LEU 111 HD21 LEU 111 -9.666 -3.037 2.331 942 HD22 LEU 111 HD22 LEU 111 -8.878 -1.556 1.784 943 HD23 LEU 111 HD23 LEU 111 -10.410 -1.471 2.657 944 H ARG 112 H ARG 112 -12.636 -2.507 4.788 945 HA ARG 112 HA ARG 112 -13.005 -0.670 2.654 946 HB2 ARG 112 HB3 ARG 112 -14.676 -2.838 3.882 947 HB3 ARG 112 HB2 ARG 112 -15.349 -1.785 2.644 948 HG2 ARG 112 HG3 ARG 112 -14.021 -2.641 0.995 949 HG3 ARG 112 HG2 ARG 112 -12.740 -3.105 2.112 950 HD2 ARG 112 HD3 ARG 112 -14.047 -4.998 1.077 951 HD3 ARG 112 HD2 ARG 112 -13.925 -5.013 2.834 952 HE ARG 112 HE ARG 112 -16.209 -4.275 2.952 953 HH11 ARG 112 HH11 ARG 112 -15.129 -5.262 -0.237 954 HH12 ARG 112 HH12 ARG 112 -16.723 -5.659 -0.794 955 HH21 ARG 112 HH22 ARG 112 -18.290 -4.776 2.222 956 HH22 ARG 112 HH21 ARG 112 -18.529 -5.371 0.610 957 H ASN 113 H ASN 113 -13.829 -0.556 5.973 958 HA ASN 113 HA ASN 113 -15.642 1.718 5.470 959 HB2 ASN 113 HB3 ASN 113 -15.667 -0.310 7.712 960 HB3 ASN 113 HB2 ASN 113 -16.595 1.186 7.754 961 HD21 ASN 113 HD22 ASN 113 -16.252 -1.943 6.275 962 HD22 ASN 113 HD21 ASN 113 -17.799 -1.964 5.503 963 H TRP 114 H TRP 114 -12.666 1.436 5.882 964 HA TRP 114 HA TRP 114 -12.038 2.593 8.404 965 HB2 TRP 114 HB3 TRP 114 -10.427 1.205 7.226 966 HB3 TRP 114 HB2 TRP 114 -10.430 2.308 5.857 967 HD1 TRP 114 HD1 TRP 114 -9.198 2.087 9.499 968 HE1 TRP 114 HE1 TRP 114 -7.256 3.756 9.791 969 HE3 TRP 114 HE3 TRP 114 -9.398 4.380 4.936 970 HZ2 TRP 114 HZ2 TRP 114 -5.983 5.773 8.287 971 HZ3 TRP 114 HZ3 TRP 114 -7.785 6.167 4.441 972 HH2 TRP 114 HH2 TRP 114 -6.113 6.850 6.084 973 H ASN 115 H ASN 115 -11.570 4.681 8.934 974 HA ASN 115 HA ASN 115 -11.765 6.732 6.854 975 HB2 ASN 115 HB3 ASN 115 -13.153 8.151 8.265 976 HB3 ASN 115 HB2 ASN 115 -13.959 6.606 8.022 977 HD21 ASN 115 HD22 ASN 115 -12.600 8.788 10.280 978 HD22 ASN 115 HD21 ASN 115 -12.954 7.874 11.710 979 H GLY 116 H GLY 116 -11.186 8.972 8.173 980 HA2 GLY 116 HA3 GLY 116 -8.410 8.606 8.722 981 HA3 GLY 116 HA2 GLY 116 -9.293 10.120 8.811 982 H THR 117 H THR 117 -8.680 7.113 10.573 983 HA THR 117 HA THR 117 -8.390 8.623 13.035 984 HB THR 117 HB THR 117 -10.405 6.370 12.822 985 HG1 THR 117 HG1 THR 117 -10.684 8.935 12.302 986 HG21 THR 117 HG21 THR 117 -10.913 6.877 15.164 987 HG22 THR 117 HG22 THR 117 -9.624 8.081 15.187 988 HG23 THR 117 HG23 THR 117 -9.233 6.375 14.973 989 H PHE 118 H PHE 118 -6.676 7.853 14.106 990 HA PHE 118 HA PHE 118 -5.316 5.509 13.190 991 HB2 PHE 118 HB3 PHE 118 -4.818 7.327 15.552 992 HB3 PHE 118 HB2 PHE 118 -3.766 5.986 15.116 993 HD1 PHE 118 HD1 PHE 118 -2.476 6.053 13.025 994 HD2 PHE 118 HD2 PHE 118 -4.779 9.380 14.342 995 HE1 PHE 118 HE1 PHE 118 -1.238 7.515 11.482 996 HE2 PHE 118 HE2 PHE 118 -3.547 10.848 12.799 997 HZ PHE 118 HZ PHE 118 -1.773 9.917 11.367 998 H GLY 119 H GLY 119 -7.623 6.178 15.673 999 HA2 GLY 119 HA3 GLY 119 -7.190 3.990 17.375 1000 HA3 GLY 119 HA2 GLY 119 -8.731 4.802 17.138 1001 H LEU 120 H LEU 120 -8.875 4.226 14.304 1002 HA LEU 120 HA LEU 120 -10.186 1.721 14.404 1003 HB2 LEU 120 HB3 LEU 120 -10.390 3.837 12.794 1004 HB3 LEU 120 HB2 LEU 120 -9.302 2.888 11.804 1005 HG LEU 120 HG LEU 120 -11.963 1.846 12.779 1006 HD11 LEU 120 HD11 LEU 120 -12.823 2.376 10.559 1007 HD12 LEU 120 HD12 LEU 120 -11.295 3.154 10.147 1008 HD13 LEU 120 HD13 LEU 120 -12.317 3.833 11.414 1009 HD21 LEU 120 HD21 LEU 120 -11.688 0.256 10.925 1010 HD22 LEU 120 HD22 LEU 120 -10.392 0.114 12.115 1011 HD23 LEU 120 HD23 LEU 120 -10.100 0.942 10.584 1012 H LEU 121 H LEU 121 -6.934 2.643 13.859 1013 HA LEU 121 HA LEU 121 -6.180 0.323 12.347 1014 HB2 LEU 121 HB3 LEU 121 -4.479 2.344 13.810 1015 HB3 LEU 121 HB2 LEU 121 -3.866 1.101 12.736 1016 HG LEU 121 HG LEU 121 -5.662 3.397 11.944 1017 HD11 LEU 121 HD11 LEU 121 -2.768 2.834 11.326 1018 HD12 LEU 121 HD12 LEU 121 -3.378 4.096 12.397 1019 HD13 LEU 121 HD13 LEU 121 -3.725 4.160 10.669 1020 HD21 LEU 121 HD21 LEU 121 -4.438 1.212 10.266 1021 HD22 LEU 121 HD22 LEU 121 -5.319 2.610 9.653 1022 HD23 LEU 121 HD23 LEU 121 -6.152 1.404 10.634 1023 H ASN 122 H ASN 122 -7.113 0.703 15.465 1024 HA ASN 122 HA ASN 122 -5.401 -1.412 16.518 1025 HB2 ASN 122 HB3 ASN 122 -7.590 0.250 17.767 1026 HB3 ASN 122 HB2 ASN 122 -6.882 -1.139 18.583 1027 HD21 ASN 122 HD22 ASN 122 -6.423 2.122 17.560 1028 HD22 ASN 122 HD21 ASN 122 -4.937 2.398 18.394 1029 H THR 123 H THR 123 -8.587 -0.901 15.203 1030 HA THR 123 HA THR 123 -9.525 -3.522 15.972 1031 HB THR 123 HB THR 123 -11.535 -3.022 14.721 1032 HG1 THR 123 HG1 THR 123 -10.705 -1.978 12.908 1033 HG21 THR 123 HG21 THR 123 -10.589 -0.537 16.151 1034 HG22 THR 123 HG22 THR 123 -11.286 -1.960 16.930 1035 HG23 THR 123 HG23 THR 123 -12.266 -0.986 15.834 1036 H LEU 124 H LEU 124 -8.097 -1.922 13.238 1037 HA LEU 124 HA LEU 124 -8.181 -4.162 11.474 1038 HB2 LEU 124 HB3 LEU 124 -6.599 -1.610 11.543 1039 HB3 LEU 124 HB2 LEU 124 -6.287 -2.846 10.340 1040 HG LEU 124 HG LEU 124 -8.969 -1.518 10.726 1041 HD11 LEU 124 HD11 LEU 124 -8.445 -0.272 8.693 1042 HD12 LEU 124 HD12 LEU 124 -6.822 -0.961 8.686 1043 HD13 LEU 124 HD13 LEU 124 -7.317 0.116 9.991 1044 HD21 LEU 124 HD21 LEU 124 -7.866 -3.262 8.529 1045 HD22 LEU 124 HD22 LEU 124 -9.459 -2.506 8.548 1046 HD23 LEU 124 HD23 LEU 124 -9.056 -3.746 9.737 1047 H ARG 125 H ARG 125 -7.194 -6.018 11.988 1048 HA ARG 125 HA ARG 125 -4.822 -6.043 13.614 1049 HB2 ARG 125 HB3 ARG 125 -6.398 -8.204 12.234 1050 HB3 ARG 125 HB2 ARG 125 -4.866 -8.540 13.033 1051 HG2 ARG 125 HG3 ARG 125 -5.734 -7.766 15.131 1052 HG3 ARG 125 HG2 ARG 125 -7.242 -7.270 14.365 1053 HD2 ARG 125 HD3 ARG 125 -7.714 -9.602 13.797 1054 HD3 ARG 125 HD2 ARG 125 -6.202 -10.092 14.562 1055 HE ARG 125 HE ARG 125 -7.137 -9.326 16.684 1056 HH11 ARG 125 HH11 ARG 125 -9.358 -9.840 14.029 1057 HH12 ARG 125 HH12 ARG 125 -10.741 -10.039 15.055 1058 HH21 ARG 125 HH22 ARG 125 -8.974 -9.596 18.048 1059 HH22 ARG 125 HH21 ARG 125 -10.538 -9.872 17.320 1060 H LEU 126 H LEU 126 -3.689 -4.614 12.220 1061 HA LEU 126 HA LEU 126 -2.827 -5.462 9.626 1062 HB2 LEU 126 HB3 LEU 126 -1.689 -3.285 11.381 1063 HB3 LEU 126 HB2 LEU 126 -1.518 -3.437 9.641 1064 HG LEU 126 HG LEU 126 -4.158 -2.983 11.031 1065 HD11 LEU 126 HD11 LEU 126 -4.005 -0.683 10.313 1066 HD12 LEU 126 HD12 LEU 126 -2.400 -0.975 9.639 1067 HD13 LEU 126 HD13 LEU 126 -2.660 -1.081 11.381 1068 HD21 LEU 126 HD21 LEU 126 -4.927 -2.377 8.790 1069 HD22 LEU 126 HD22 LEU 126 -4.350 -4.042 8.852 1070 HD23 LEU 126 HD23 LEU 126 -3.341 -2.785 8.136 1071 H ILE 127 H ILE 127 -1.106 -6.654 9.145 1072 HA ILE 127 HA ILE 127 0.585 -7.523 11.383 1073 HB ILE 127 HB ILE 127 1.061 -9.528 9.992 1074 HG12 ILE 127 HG13 ILE 127 -1.079 -8.361 8.192 1075 HG13 ILE 127 HG12 ILE 127 0.624 -8.541 7.785 1076 HG21 ILE 127 HG21 ILE 127 -1.137 -10.586 10.326 1077 HG22 ILE 127 HG22 ILE 127 -1.857 -8.994 10.563 1078 HG23 ILE 127 HG23 ILE 127 -0.663 -9.601 11.710 1079 HD11 ILE 127 HD11 ILE 127 0.394 -10.967 7.911 1080 HD12 ILE 127 HD12 ILE 127 -0.726 -10.266 6.743 1081 HD13 ILE 127 HD13 ILE 127 -1.312 -10.784 8.324 1082 H ARG 128 H ARG 128 2.813 -8.394 10.428 1083 HA ARG 128 HA ARG 128 3.910 -6.084 8.997 1084 HB2 ARG 128 HB3 ARG 128 5.472 -8.298 10.333 1085 HB3 ARG 128 HB2 ARG 128 6.065 -6.724 9.823 1086 HG2 ARG 128 HG3 ARG 128 4.171 -5.937 11.543 1087 HG3 ARG 128 HG2 ARG 128 4.582 -7.499 12.252 1088 HD2 ARG 128 HD3 ARG 128 6.035 -6.016 13.312 1089 HD3 ARG 128 HD2 ARG 128 7.023 -6.720 12.031 1090 HE ARG 128 HE ARG 128 5.789 -4.038 11.929 1091 HH11 ARG 128 HH11 ARG 128 8.319 -6.278 10.985 1092 HH12 ARG 128 HH12 ARG 128 9.191 -5.095 10.063 1093 HH21 ARG 128 HH22 ARG 128 6.941 -2.480 10.761 1094 HH22 ARG 128 HH21 ARG 128 8.397 -2.934 9.919 1095 H ILE 129 H ILE 129 4.044 -6.281 6.901 1096 HA ILE 129 HA ILE 129 4.324 -8.976 5.759 1097 HB ILE 129 HB ILE 129 2.899 -6.526 4.773 1098 HG12 ILE 129 HG13 ILE 129 2.047 -9.393 5.217 1099 HG13 ILE 129 HG12 ILE 129 1.654 -8.021 6.246 1100 HG21 ILE 129 HG21 ILE 129 4.186 -7.348 2.892 1101 HG22 ILE 129 HG22 ILE 129 2.471 -7.689 2.659 1102 HG23 ILE 129 HG23 ILE 129 3.568 -8.978 3.158 1103 HD11 ILE 129 HD11 ILE 129 0.741 -8.432 3.408 1104 HD12 ILE 129 HD12 ILE 129 0.362 -7.034 4.416 1105 HD13 ILE 129 HD13 ILE 129 -0.233 -8.632 4.866 1106 H ASN 130 H ASN 130 6.077 -9.424 4.636 1107 HA ASN 130 HA ASN 130 7.944 -7.289 3.956 1108 HB2 ASN 130 HB3 ASN 130 8.479 -9.677 4.979 1109 HB3 ASN 130 HB2 ASN 130 8.437 -10.166 3.289 1110 HD21 ASN 130 HD22 ASN 130 9.925 -9.133 1.815 1111 HD22 ASN 130 HD21 ASN 130 11.429 -8.513 2.423 1112 H ASP 131 H ASP 131 7.840 -6.370 2.090 1113 HA ASP 131 HA ASP 131 7.028 -5.845 0.002 1114 HB2 ASP 131 HB3 ASP 131 8.628 -6.568 -1.613 1115 HB3 ASP 131 HB2 ASP 131 9.436 -6.360 -0.071 1116 H LYS 132 H LYS 132 7.369 -9.392 -0.423 1117 HA LYS 132 HA LYS 132 5.586 -9.414 -2.632 1118 HB2 LYS 132 HB3 LYS 132 6.402 -11.772 -0.938 1119 HB3 LYS 132 HB2 LYS 132 5.864 -11.800 -2.611 1120 HG2 LYS 132 HG3 LYS 132 7.878 -11.056 -3.415 1121 HG3 LYS 132 HG2 LYS 132 8.314 -10.265 -1.895 1122 HD2 LYS 132 HD3 LYS 132 8.516 -12.518 -0.856 1123 HD3 LYS 132 HD2 LYS 132 8.242 -13.228 -2.445 1124 HE2 LYS 132 HE3 LYS 132 10.268 -12.396 -3.288 1125 HE3 LYS 132 HE2 LYS 132 10.449 -11.252 -1.957 1126 HZ1 LYS 132 HZ1 LYS 132 10.844 -13.062 -0.452 1127 HZ2 LYS 132 HZ2 LYS 132 11.925 -13.190 -1.753 1128 HZ3 LYS 132 HZ3 LYS 132 10.568 -14.210 -1.670 1129 H GLY 133 H GLY 133 4.940 -9.378 0.689 1130 HA2 GLY 133 HA3 GLY 133 2.628 -9.381 1.455 1131 HA3 GLY 133 HA2 GLY 133 2.285 -10.592 0.223 1132 H GLU 134 H GLU 134 5.248 -10.870 1.837 1133 HA GLU 134 HA GLU 134 4.461 -13.388 3.002 1134 HB2 GLU 134 HB3 GLU 134 6.593 -13.168 1.815 1135 HB3 GLU 134 HB2 GLU 134 7.110 -11.929 2.947 1136 HG2 GLU 134 HG3 GLU 134 7.188 -13.522 4.737 1137 HG3 GLU 134 HG2 GLU 134 6.499 -14.775 3.705 1138 H GLN 135 H GLN 135 3.681 -13.563 4.976 1139 HA GLN 135 HA GLN 135 3.593 -11.386 6.800 1140 HB2 GLN 135 HB3 GLN 135 1.899 -13.246 6.604 1141 HB3 GLN 135 HB2 GLN 135 3.062 -14.299 7.396 1142 HG2 GLN 135 HG3 GLN 135 3.032 -12.847 9.363 1143 HG3 GLN 135 HG2 GLN 135 1.850 -11.807 8.570 1144 HE21 GLN 135 HE22 GLN 135 1.575 -13.232 11.052 1145 HE22 GLN 135 HE21 GLN 135 0.235 -14.304 10.864 1146 H VAL 136 H VAL 136 5.177 -10.709 8.057 1147 HA VAL 136 HA VAL 136 7.528 -12.345 8.442 1148 HB VAL 136 HB VAL 136 6.978 -9.585 9.549 1149 HG11 VAL 136 HG11 VAL 136 9.424 -9.417 9.668 1150 HG12 VAL 136 HG12 VAL 136 9.558 -11.084 9.103 1151 HG13 VAL 136 HG13 VAL 136 8.806 -10.738 10.661 1152 HG21 VAL 136 HG21 VAL 136 8.272 -8.747 7.619 1153 HG22 VAL 136 HG22 VAL 136 6.758 -9.516 7.137 1154 HG23 VAL 136 HG23 VAL 136 8.287 -10.378 6.947 1155 H VAL 137 H VAL 137 7.072 -13.968 9.826 1156 HA VAL 137 HA VAL 137 6.339 -13.195 12.571 1157 HB VAL 137 HB VAL 137 5.449 -15.505 12.865 1158 HG11 VAL 137 HG11 VAL 137 3.345 -15.128 11.664 1159 HG12 VAL 137 HG12 VAL 137 4.129 -13.883 10.692 1160 HG13 VAL 137 HG13 VAL 137 3.933 -13.651 12.429 1161 HG21 VAL 137 HG21 VAL 137 6.665 -16.612 11.068 1162 HG22 VAL 137 HG22 VAL 137 5.775 -15.673 9.869 1163 HG23 VAL 137 HG23 VAL 137 4.928 -16.844 10.879 1164 H GLY 138 H GLY 138 7.464 -14.234 14.260 1165 HA2 GLY 138 HA3 GLY 138 9.211 -15.402 15.238 1166 HA3 GLY 138 HA2 GLY 138 9.600 -16.083 13.665 1167 H GLY 139 H GLY 139 9.603 -13.204 12.633 1168 HA2 GLY 139 HA3 GLY 139 12.401 -12.698 13.384 1169 HA3 GLY 139 HA2 GLY 139 11.694 -12.310 11.820 1170 H ASN 140 H ASN 140 10.433 -11.727 15.055 1171 HA ASN 140 HA ASN 140 9.943 -8.946 14.403 1172 HB2 ASN 140 HB3 ASN 140 9.502 -10.380 17.035 1173 HB3 ASN 140 HB2 ASN 140 8.848 -8.812 16.575 1174 HD21 ASN 140 HD22 ASN 140 8.513 -12.211 16.379 1175 HD22 ASN 140 HD21 ASN 140 7.021 -12.239 15.498 1176 H GLU 141 H GLU 141 12.631 -10.429 15.044 1177 HA GLU 141 HA GLU 141 14.680 -9.899 15.825 1178 HB2 GLU 141 HB3 GLU 141 14.024 -7.662 14.749 1179 HB3 GLU 141 HB2 GLU 141 13.666 -7.112 16.380 1180 HG2 GLU 141 HG3 GLU 141 16.031 -7.754 16.980 1181 HG3 GLU 141 HG2 GLU 141 16.316 -7.958 15.253 Start of MODEL 20 1 H MET 1 H MET 1 12.092 32.520 22.346 2 HA MET 1 HA MET 1 10.037 33.728 20.589 3 HB2 MET 1 HB3 MET 1 10.228 30.972 21.831 4 HB3 MET 1 HB2 MET 1 8.801 31.606 21.026 5 HG2 MET 1 HG3 MET 1 10.115 31.815 18.946 6 HG3 MET 1 HG2 MET 1 11.483 31.070 19.774 7 HE1 MET 1 HE1 MET 1 10.257 28.240 17.351 8 HE2 MET 1 HE2 MET 1 11.618 29.247 17.843 9 HE3 MET 1 HE3 MET 1 10.230 29.976 17.034 10 H ARG 2 H ARG 2 7.850 33.518 21.748 11 HA ARG 2 HA ARG 2 7.963 34.807 24.279 12 HB2 ARG 2 HB3 ARG 2 5.679 33.461 22.825 13 HB3 ARG 2 HB2 ARG 2 5.490 34.376 24.314 14 HG2 ARG 2 HG3 ARG 2 6.208 36.395 23.232 15 HG3 ARG 2 HG2 ARG 2 6.595 35.510 21.754 16 HD2 ARG 2 HD3 ARG 2 3.844 35.701 22.971 17 HD3 ARG 2 HD2 ARG 2 4.427 36.720 21.654 18 HE ARG 2 HE ARG 2 4.840 34.294 20.637 19 HH11 ARG 2 HH11 ARG 2 2.058 35.581 22.324 20 HH12 ARG 2 HH12 ARG 2 0.918 34.599 21.458 21 HH21 ARG 2 HH22 ARG 2 3.353 33.020 19.475 22 HH22 ARG 2 HH21 ARG 2 1.647 33.171 19.806 23 H GLU 3 H GLU 3 7.531 31.497 23.232 24 HA GLU 3 HA GLU 3 7.025 30.492 25.874 25 HB2 GLU 3 HB3 GLU 3 6.196 29.443 23.720 26 HB3 GLU 3 HB2 GLU 3 7.850 28.924 23.426 27 HG2 GLU 3 HG3 GLU 3 6.355 27.197 24.424 28 HG3 GLU 3 HG2 GLU 3 7.837 27.511 25.328 29 H ASP 4 H ASP 4 8.454 29.165 27.084 30 HA ASP 4 HA ASP 4 11.167 30.170 26.930 31 HB2 ASP 4 HB3 ASP 4 10.029 30.148 29.096 32 HB3 ASP 4 HB2 ASP 4 9.837 28.400 28.988 33 H LYS 5 H LYS 5 9.873 26.904 27.555 34 HA LYS 5 HA LYS 5 12.358 25.740 26.667 35 HB2 LYS 5 HB3 LYS 5 9.790 24.406 27.536 36 HB3 LYS 5 HB2 LYS 5 11.342 23.610 27.316 37 HG2 LYS 5 HG3 LYS 5 12.287 24.851 29.154 38 HG3 LYS 5 HG2 LYS 5 10.795 25.780 29.328 39 HD2 LYS 5 HD3 LYS 5 9.594 23.666 29.804 40 HD3 LYS 5 HD2 LYS 5 11.137 22.813 29.751 41 HE2 LYS 5 HE3 LYS 5 11.953 24.100 31.627 42 HE3 LYS 5 HE2 LYS 5 10.485 25.077 31.631 43 HZ1 LYS 5 HZ1 LYS 5 10.686 22.178 32.244 44 HZ2 LYS 5 HZ2 LYS 5 9.224 23.027 32.103 45 HZ3 LYS 5 HZ3 LYS 5 10.322 23.426 33.332 46 H ILE 6 H ILE 6 12.493 24.113 25.028 47 HA ILE 6 HA ILE 6 10.368 24.165 23.010 48 HB ILE 6 HB ILE 6 12.006 25.809 22.274 49 HG12 ILE 6 HG13 ILE 6 12.259 23.257 20.668 50 HG13 ILE 6 HG12 ILE 6 10.907 24.381 20.577 51 HG21 ILE 6 HG21 ILE 6 14.036 23.589 22.458 52 HG22 ILE 6 HG22 ILE 6 13.945 25.011 23.497 53 HG23 ILE 6 HG23 ILE 6 14.324 25.194 21.784 54 HD11 ILE 6 HD11 ILE 6 12.400 26.116 19.749 55 HD12 ILE 6 HD12 ILE 6 12.450 24.680 18.725 56 HD13 ILE 6 HD13 ILE 6 13.764 25.001 19.859 57 H ALA 7 H ALA 7 10.064 22.239 21.958 58 HA ALA 7 HA ALA 7 11.263 19.934 23.212 59 HB1 ALA 7 HB1 ALA 7 8.878 19.948 22.724 60 HB2 ALA 7 HB2 ALA 7 9.685 18.642 21.856 61 HB3 ALA 7 HB3 ALA 7 9.217 20.113 21.000 62 H ALA 8 H ALA 8 11.942 18.068 21.787 63 HA ALA 8 HA ALA 8 13.929 19.040 19.897 64 HB1 ALA 8 HB1 ALA 8 14.835 16.777 19.986 65 HB2 ALA 8 HB2 ALA 8 13.466 16.257 20.966 66 HB3 ALA 8 HB3 ALA 8 14.614 17.430 21.609 67 H LYS 9 H LYS 9 14.049 18.453 17.756 68 HA LYS 9 HA LYS 9 11.547 17.652 16.540 69 HB2 LYS 9 HB3 LYS 9 14.204 18.423 15.322 70 HB3 LYS 9 HB2 LYS 9 12.758 18.042 14.395 71 HG2 LYS 9 HG3 LYS 9 11.598 19.917 15.515 72 HG3 LYS 9 HG2 LYS 9 13.114 20.330 16.319 73 HD2 LYS 9 HD3 LYS 9 14.178 20.704 14.165 74 HD3 LYS 9 HD2 LYS 9 12.697 20.225 13.332 75 HE2 LYS 9 HE3 LYS 9 12.844 22.629 13.368 76 HE3 LYS 9 HE2 LYS 9 11.524 22.113 14.417 77 HZ1 LYS 9 HZ1 LYS 9 12.993 22.403 16.328 78 HZ2 LYS 9 HZ2 LYS 9 12.826 23.846 15.454 79 HZ3 LYS 9 HZ3 LYS 9 14.242 22.926 15.305 80 H LYS 10 H LYS 10 11.050 15.608 16.394 81 HA LYS 10 HA LYS 10 13.015 13.533 16.669 82 HB2 LYS 10 HB3 LYS 10 10.037 13.375 16.169 83 HB3 LYS 10 HB2 LYS 10 11.070 12.028 16.629 84 HG2 LYS 10 HG3 LYS 10 11.454 12.932 18.777 85 HG3 LYS 10 HG2 LYS 10 10.763 14.489 18.321 86 HD2 LYS 10 HD3 LYS 10 8.568 13.414 18.051 87 HD3 LYS 10 HD2 LYS 10 9.271 11.877 18.562 88 HE2 LYS 10 HE3 LYS 10 9.771 12.758 20.733 89 HE3 LYS 10 HE2 LYS 10 9.299 14.382 20.234 90 HZ1 LYS 10 HZ1 LYS 10 7.038 13.666 20.016 91 HZ2 LYS 10 HZ2 LYS 10 7.596 13.248 21.561 92 HZ3 LYS 10 HZ3 LYS 10 7.454 12.057 20.360 93 H LYS 11 H LYS 11 12.870 11.579 15.195 94 HA LYS 11 HA LYS 11 13.248 12.507 12.467 95 HB2 LYS 11 HB3 LYS 11 14.881 10.965 13.574 96 HB3 LYS 11 HB2 LYS 11 13.632 9.728 13.606 97 HG2 LYS 11 HG3 LYS 11 13.552 9.699 11.185 98 HG3 LYS 11 HG2 LYS 11 14.732 11.009 11.112 99 HD2 LYS 11 HD3 LYS 11 16.364 9.546 12.266 100 HD3 LYS 11 HD2 LYS 11 15.182 8.236 12.211 101 HE2 LYS 11 HE3 LYS 11 15.182 8.322 9.774 102 HE3 LYS 11 HE2 LYS 11 16.324 9.664 9.811 103 HZ1 LYS 11 HZ1 LYS 11 17.457 7.591 9.369 104 HZ2 LYS 11 HZ2 LYS 11 16.837 6.909 10.797 105 HZ3 LYS 11 HZ3 LYS 11 17.937 8.196 10.882 106 H LEU 12 H LEU 12 10.931 10.847 14.382 107 HA LEU 12 HA LEU 12 9.485 9.670 12.201 108 HB2 LEU 12 HB3 LEU 12 8.619 10.266 15.035 109 HB3 LEU 12 HB2 LEU 12 7.714 9.301 13.885 110 HG LEU 12 HG LEU 12 10.432 8.604 15.006 111 HD11 LEU 12 HD11 LEU 12 7.705 7.439 15.550 112 HD12 LEU 12 HD12 LEU 12 8.665 8.409 16.666 113 HD13 LEU 12 HD13 LEU 12 9.234 6.817 16.170 114 HD21 LEU 12 HD21 LEU 12 10.151 7.774 12.733 115 HD22 LEU 12 HD22 LEU 12 8.601 7.058 13.172 116 HD23 LEU 12 HD23 LEU 12 10.090 6.447 13.895 117 H HIS 13 H HIS 13 8.433 10.836 10.754 118 HA HIS 13 HA HIS 13 7.191 13.369 11.605 119 HB2 HIS 13 HB3 HIS 13 8.503 12.622 8.991 120 HB3 HIS 13 HB2 HIS 13 7.419 14.000 9.133 121 HD1 HIS 13 HD1 HIS 13 8.503 16.149 9.703 122 HD2 HIS 13 HD2 HIS 13 10.825 12.890 10.843 123 HE1 HIS 13 HE1 HIS 13 10.661 17.118 10.566 124 HE2 HIS 13 HE2 HIS 13 12.049 15.133 11.267 125 H GLN 14 H GLN 14 5.173 13.925 10.668 126 HA GLN 14 HA GLN 14 3.427 11.672 10.467 127 HB2 GLN 14 HB3 GLN 14 2.928 14.629 10.122 128 HB3 GLN 14 HB2 GLN 14 1.659 13.414 10.084 129 HG2 GLN 14 HG3 GLN 14 2.244 12.751 12.372 130 HG3 GLN 14 HG2 GLN 14 3.480 14.009 12.405 131 HE21 GLN 14 HE22 GLN 14 1.085 13.639 14.076 132 HE22 GLN 14 HE21 GLN 14 0.179 15.106 13.910 133 H ASP 15 H ASP 15 5.337 13.166 8.191 134 HA ASP 15 HA ASP 15 3.802 13.162 5.863 135 HB2 ASP 15 HB3 ASP 15 6.734 12.506 6.240 136 HB3 ASP 15 HB2 ASP 15 5.976 12.797 4.679 137 H LYS 16 H LYS 16 5.542 10.550 7.474 138 HA LYS 16 HA LYS 16 5.059 8.638 5.419 139 HB2 LYS 16 HB3 LYS 16 6.145 8.512 8.198 140 HB3 LYS 16 HB2 LYS 16 5.681 7.021 7.387 141 HG2 LYS 16 HG3 LYS 16 7.194 7.524 5.554 142 HG3 LYS 16 HG2 LYS 16 7.644 9.042 6.332 143 HD2 LYS 16 HD3 LYS 16 8.731 7.936 8.100 144 HD3 LYS 16 HD2 LYS 16 7.977 6.390 7.702 145 HE2 LYS 16 HE3 LYS 16 9.910 7.841 5.906 146 HE3 LYS 16 HE2 LYS 16 10.382 6.577 7.042 147 HZ1 LYS 16 HZ1 LYS 16 10.046 5.721 4.796 148 HZ2 LYS 16 HZ2 LYS 16 8.431 6.232 4.815 149 HZ3 LYS 16 HZ3 LYS 16 8.961 5.022 5.891 150 H ARG 17 H ARG 17 3.195 9.799 8.065 151 HA ARG 17 HA ARG 17 1.564 7.597 8.620 152 HB2 ARG 17 HB3 ARG 17 0.871 10.539 8.623 153 HB3 ARG 17 HB2 ARG 17 -0.134 9.278 9.321 154 HG2 ARG 17 HG3 ARG 17 2.685 9.852 10.194 155 HG3 ARG 17 HG2 ARG 17 1.251 10.537 10.959 156 HD2 ARG 17 HD3 ARG 17 2.006 7.624 10.771 157 HD3 ARG 17 HD2 ARG 17 1.961 8.622 12.225 158 HE ARG 17 HE ARG 17 -0.222 7.262 11.013 159 HH11 ARG 17 HH11 ARG 17 0.624 10.119 12.863 160 HH12 ARG 17 HH12 ARG 17 -0.997 10.382 13.443 161 HH21 ARG 17 HH22 ARG 17 -2.340 7.583 11.810 162 HH22 ARG 17 HH21 ARG 17 -2.689 8.928 12.851 163 H VAL 18 H VAL 18 1.340 10.060 6.106 164 HA VAL 18 HA VAL 18 -1.108 9.075 5.011 165 HB VAL 18 HB VAL 18 1.003 10.841 3.753 166 HG11 VAL 18 HG11 VAL 18 -0.390 9.755 2.059 167 HG12 VAL 18 HG12 VAL 18 -0.743 11.481 2.162 168 HG13 VAL 18 HG13 VAL 18 -1.843 10.311 2.893 169 HG21 VAL 18 HG21 VAL 18 0.039 11.829 5.739 170 HG22 VAL 18 HG22 VAL 18 -1.587 11.489 5.145 171 HG23 VAL 18 HG23 VAL 18 -0.568 12.656 4.303 172 H HIS 19 H HIS 19 2.321 8.647 4.268 173 HA HIS 19 HA HIS 19 1.988 7.090 1.950 174 HB2 HIS 19 HB3 HIS 19 4.185 7.832 3.701 175 HB3 HIS 19 HB2 HIS 19 4.342 6.175 3.132 176 HD1 HIS 19 HD1 HIS 19 5.049 9.589 2.146 177 HD2 HIS 19 HD2 HIS 19 4.182 6.029 0.169 178 HE1 HIS 19 HE1 HIS 19 5.821 9.918 -0.223 179 HE2 HIS 19 HE2 HIS 19 5.421 7.707 -1.369 180 H GLU 20 H GLU 20 1.684 6.302 5.316 181 HA GLU 20 HA GLU 20 1.655 3.452 4.907 182 HB2 GLU 20 HB3 GLU 20 0.666 5.112 7.236 183 HB3 GLU 20 HB2 GLU 20 0.794 3.361 7.228 184 HG2 GLU 20 HG3 GLU 20 3.212 3.535 6.980 185 HG3 GLU 20 HG2 GLU 20 3.086 5.294 6.971 186 H LEU 21 H LEU 21 -0.865 5.780 5.891 187 HA LEU 21 HA LEU 21 -2.932 3.876 5.772 188 HB2 LEU 21 HB3 LEU 21 -3.138 6.881 5.720 189 HB3 LEU 21 HB2 LEU 21 -4.461 5.776 6.051 190 HG LEU 21 HG LEU 21 -1.991 6.105 7.760 191 HD11 LEU 21 HD11 LEU 21 -3.470 8.043 7.861 192 HD12 LEU 21 HD12 LEU 21 -3.510 7.130 9.369 193 HD13 LEU 21 HD13 LEU 21 -4.837 6.987 8.216 194 HD21 LEU 21 HD21 LEU 21 -2.874 3.834 7.844 195 HD22 LEU 21 HD22 LEU 21 -4.486 4.461 8.185 196 HD23 LEU 21 HD23 LEU 21 -3.187 4.684 9.357 197 H ALA 22 H ALA 22 -1.776 6.189 3.373 198 HA ALA 22 HA ALA 22 -3.963 6.069 1.620 199 HB1 ALA 22 HB1 ALA 22 -1.063 6.465 0.908 200 HB2 ALA 22 HB2 ALA 22 -2.185 7.729 1.410 201 HB3 ALA 22 HB3 ALA 22 -2.447 6.866 -0.107 202 H ARG 23 H ARG 23 -1.311 3.815 2.089 203 HA ARG 23 HA ARG 23 -1.766 2.350 -0.323 204 HB2 ARG 23 HB3 ARG 23 -0.432 1.379 2.216 205 HB3 ARG 23 HB2 ARG 23 -0.287 0.662 0.617 206 HG2 ARG 23 HG3 ARG 23 0.756 2.796 -0.159 207 HG3 ARG 23 HG2 ARG 23 0.759 3.334 1.520 208 HD2 ARG 23 HD3 ARG 23 2.079 1.270 2.075 209 HD3 ARG 23 HD2 ARG 23 2.221 0.977 0.342 210 HE ARG 23 HE ARG 23 3.420 3.215 1.832 211 HH11 ARG 23 HH11 ARG 23 3.145 1.346 -1.117 212 HH12 ARG 23 HH12 ARG 23 4.550 2.049 -1.845 213 HH21 ARG 23 HH22 ARG 23 5.311 4.127 0.886 214 HH22 ARG 23 HH21 ARG 23 5.769 3.633 -0.718 215 H VAL 24 H VAL 24 -2.800 2.020 3.029 216 HA VAL 24 HA VAL 24 -4.324 -0.347 2.667 217 HB VAL 24 HB VAL 24 -4.695 1.829 4.740 218 HG11 VAL 24 HG11 VAL 24 -6.632 0.363 4.591 219 HG12 VAL 24 HG12 VAL 24 -5.748 0.071 6.089 220 HG13 VAL 24 HG13 VAL 24 -5.591 -1.053 4.740 221 HG21 VAL 24 HG21 VAL 24 -3.324 0.388 6.192 222 HG22 VAL 24 HG22 VAL 24 -2.427 0.964 4.788 223 HG23 VAL 24 HG23 VAL 24 -3.035 -0.690 4.827 224 H LYS 25 H LYS 25 -5.012 3.091 2.395 225 HA LYS 25 HA LYS 25 -7.788 2.921 2.047 226 HB2 LYS 25 HB3 LYS 25 -6.701 5.057 2.457 227 HB3 LYS 25 HB2 LYS 25 -5.838 4.941 0.928 228 HG2 LYS 25 HG3 LYS 25 -7.947 5.051 -0.285 229 HG3 LYS 25 HG2 LYS 25 -8.827 5.141 1.240 230 HD2 LYS 25 HD3 LYS 25 -7.852 7.264 1.750 231 HD3 LYS 25 HD2 LYS 25 -6.754 7.145 0.374 232 HE2 LYS 25 HE3 LYS 25 -9.762 7.280 0.195 233 HE3 LYS 25 HE2 LYS 25 -8.668 8.636 -0.071 234 HZ1 LYS 25 HZ1 LYS 25 -9.360 7.614 -2.155 235 HZ2 LYS 25 HZ2 LYS 25 -8.717 6.121 -1.667 236 HZ3 LYS 25 HZ3 LYS 25 -7.688 7.449 -1.928 237 H PHE 26 H PHE 26 -5.123 2.679 -0.295 238 HA PHE 26 HA PHE 26 -6.710 2.576 -2.603 239 HB2 PHE 26 HB3 PHE 26 -4.279 2.826 -2.746 240 HB3 PHE 26 HB2 PHE 26 -4.058 1.202 -2.098 241 HD1 PHE 26 HD2 PHE 26 -5.747 2.969 -4.918 242 HD2 PHE 26 HD1 PHE 26 -3.787 -0.555 -3.564 243 HE1 PHE 26 HE2 PHE 26 -5.880 2.030 -7.189 244 HE2 PHE 26 HE1 PHE 26 -3.919 -1.502 -5.830 245 HZ PHE 26 HZ PHE 26 -4.975 -0.220 -7.647 246 H MET 27 H MET 27 -5.589 -0.011 -0.445 247 HA MET 27 HA MET 27 -6.788 -2.201 -1.685 248 HB2 MET 27 HB3 MET 27 -6.404 -1.591 1.246 249 HB3 MET 27 HB2 MET 27 -6.989 -3.140 0.654 250 HG2 MET 27 HG3 MET 27 -4.925 -3.493 -0.553 251 HG3 MET 27 HG2 MET 27 -4.339 -1.904 -0.055 252 HE1 MET 27 HE1 MET 27 -2.135 -3.373 0.700 253 HE2 MET 27 HE2 MET 27 -2.953 -4.904 0.375 254 HE3 MET 27 HE3 MET 27 -2.203 -4.618 1.948 255 H GLN 28 H GLN 28 -8.157 -0.048 0.781 256 HA GLN 28 HA GLN 28 -10.737 -1.047 0.907 257 HB2 GLN 28 HB3 GLN 28 -9.794 0.712 2.384 258 HB3 GLN 28 HB2 GLN 28 -9.900 1.853 1.052 259 HG2 GLN 28 HG3 GLN 28 -12.390 1.309 1.016 260 HG3 GLN 28 HG2 GLN 28 -12.120 0.567 2.591 261 HE21 GLN 28 HE22 GLN 28 -13.306 2.000 3.747 262 HE22 GLN 28 HE21 GLN 28 -12.849 3.655 3.978 263 H ASP 29 H ASP 29 -9.504 1.563 -1.171 264 HA ASP 29 HA ASP 29 -11.879 2.155 -2.497 265 HB2 ASP 29 HB3 ASP 29 -9.008 2.421 -3.387 266 HB3 ASP 29 HB2 ASP 29 -10.356 3.000 -4.358 267 H VAL 30 H VAL 30 -9.385 -0.224 -3.296 268 HA VAL 30 HA VAL 30 -10.419 -0.978 -5.801 269 HB VAL 30 HB VAL 30 -8.732 -2.533 -3.834 270 HG11 VAL 30 HG11 VAL 30 -9.911 -4.099 -5.283 271 HG12 VAL 30 HG12 VAL 30 -8.196 -4.033 -5.694 272 HG13 VAL 30 HG13 VAL 30 -9.376 -3.201 -6.704 273 HG21 VAL 30 HG21 VAL 30 -6.916 -1.979 -5.373 274 HG22 VAL 30 HG22 VAL 30 -7.689 -0.526 -4.739 275 HG23 VAL 30 HG23 VAL 30 -8.045 -1.070 -6.378 276 H VAL 31 H VAL 31 -11.083 -2.208 -2.546 277 HA VAL 31 HA VAL 31 -12.726 -4.377 -3.410 278 HB VAL 31 HB VAL 31 -12.678 -3.023 -0.704 279 HG11 VAL 31 HG11 VAL 31 -13.545 -5.144 0.140 280 HG12 VAL 31 HG12 VAL 31 -13.617 -5.776 -1.504 281 HG13 VAL 31 HG13 VAL 31 -14.648 -4.423 -1.033 282 HG21 VAL 31 HG21 VAL 31 -11.103 -5.398 -1.689 283 HG22 VAL 31 HG22 VAL 31 -11.117 -4.779 -0.038 284 HG23 VAL 31 HG23 VAL 31 -10.454 -3.795 -1.343 285 H ASN 32 H ASN 32 -13.318 -1.044 -2.510 286 HA ASN 32 HA ASN 32 -16.184 -1.368 -2.406 287 HB2 ASN 32 HB3 ASN 32 -14.329 0.988 -2.131 288 HB3 ASN 32 HB2 ASN 32 -16.072 1.207 -2.234 289 HD21 ASN 32 HD22 ASN 32 -16.108 2.097 -0.181 290 HD22 ASN 32 HD21 ASN 32 -15.946 1.124 1.247 291 H SER 33 H SER 33 -13.840 -0.582 -4.785 292 HA SER 33 HA SER 33 -15.779 0.727 -6.509 293 HB2 SER 33 HB3 SER 33 -13.518 1.657 -6.410 294 HB3 SER 33 HB2 SER 33 -12.844 0.113 -6.927 295 HG SER 33 HG SER 33 -13.041 1.580 -8.665 296 H ASP 34 H ASP 34 -16.352 -0.056 -8.567 297 HA ASP 34 HA ASP 34 -16.801 -2.849 -8.679 298 HB2 ASP 34 HB3 ASP 34 -17.209 -0.642 -10.688 299 HB3 ASP 34 HB2 ASP 34 -17.607 -2.320 -11.042 300 H THR 35 H THR 35 -14.051 -1.127 -9.325 301 HA THR 35 HA THR 35 -12.914 -2.341 -11.555 302 HB THR 35 HB THR 35 -11.516 -1.500 -9.002 303 HG1 THR 35 HG1 THR 35 -11.536 0.526 -9.831 304 HG21 THR 35 HG21 THR 35 -10.451 -1.741 -11.822 305 HG22 THR 35 HG22 THR 35 -10.103 -2.858 -10.501 306 HG23 THR 35 HG23 THR 35 -9.548 -1.186 -10.410 307 H PHE 36 H PHE 36 -12.892 -3.398 -8.146 308 HA PHE 36 HA PHE 36 -12.420 -6.132 -9.108 309 HB2 PHE 36 HB3 PHE 36 -10.819 -4.642 -7.069 310 HB3 PHE 36 HB2 PHE 36 -11.055 -6.374 -6.875 311 HD1 PHE 36 HD1 PHE 36 -10.134 -7.943 -8.502 312 HD2 PHE 36 HD2 PHE 36 -9.388 -3.762 -8.775 313 HE1 PHE 36 HE1 PHE 36 -8.256 -8.384 -10.027 314 HE2 PHE 36 HE2 PHE 36 -7.510 -4.196 -10.305 315 HZ PHE 36 HZ PHE 36 -6.942 -6.508 -10.930 316 H LYS 37 H LYS 37 -14.666 -4.400 -7.926 317 HA LYS 37 HA LYS 37 -15.408 -5.317 -5.408 318 HB2 LYS 37 HB3 LYS 37 -16.496 -3.501 -6.834 319 HB3 LYS 37 HB2 LYS 37 -17.360 -4.800 -7.644 320 HG2 LYS 37 HG3 LYS 37 -18.264 -5.488 -5.426 321 HG3 LYS 37 HG2 LYS 37 -17.524 -4.040 -4.740 322 HD2 LYS 37 HD3 LYS 37 -19.790 -3.498 -5.198 323 HD3 LYS 37 HD2 LYS 37 -18.818 -2.710 -6.444 324 HE2 LYS 37 HE3 LYS 37 -19.299 -4.617 -7.954 325 HE3 LYS 37 HE2 LYS 37 -20.363 -5.286 -6.718 326 HZ1 LYS 37 HZ1 LYS 37 -21.542 -3.042 -6.855 327 HZ2 LYS 37 HZ2 LYS 37 -21.775 -4.136 -8.134 328 HZ3 LYS 37 HZ3 LYS 37 -20.708 -2.830 -8.320 329 H GLY 38 H GLY 38 -15.586 -6.875 -8.528 330 HA2 GLY 38 HA3 GLY 38 -17.447 -8.908 -7.918 331 HA3 GLY 38 HA2 GLY 38 -16.219 -8.984 -9.172 332 H GLN 39 H GLN 39 -14.169 -8.490 -6.939 333 HA GLN 39 HA GLN 39 -14.166 -11.237 -5.869 334 HB2 GLN 39 HB3 GLN 39 -11.770 -9.449 -6.347 335 HB3 GLN 39 HB2 GLN 39 -11.734 -11.112 -5.779 336 HG2 GLN 39 HG3 GLN 39 -12.759 -11.800 -7.942 337 HG3 GLN 39 HG2 GLN 39 -12.572 -10.137 -8.498 338 HE21 GLN 39 HE22 GLN 39 -11.165 -10.653 -10.140 339 HE22 GLN 39 HE21 GLN 39 -9.540 -11.195 -9.852 340 HA PRO 40 HA PRO 40 -15.081 -8.600 -2.292 341 HB2 PRO 40 HB2 PRO 40 -15.700 -10.712 -0.642 342 HB3 PRO 40 HB3 PRO 40 -16.844 -9.934 -1.744 343 HG2 PRO 40 HG3 PRO 40 -15.268 -12.451 -2.111 344 HG3 PRO 40 HG2 PRO 40 -16.955 -12.111 -2.541 345 HD2 PRO 40 HD3 PRO 40 -15.006 -12.103 -4.385 346 HD3 PRO 40 HD2 PRO 40 -16.365 -10.963 -4.467 347 H ILE 41 H ILE 41 -12.981 -11.430 -2.350 348 HA ILE 41 HA ILE 41 -11.441 -10.239 -0.138 349 HB ILE 41 HB ILE 41 -11.543 -13.191 -0.793 350 HG12 ILE 41 HG13 ILE 41 -13.720 -12.588 0.043 351 HG13 ILE 41 HG12 ILE 41 -12.834 -13.408 1.324 352 HG21 ILE 41 HG21 ILE 41 -10.421 -11.708 1.582 353 HG22 ILE 41 HG22 ILE 41 -9.486 -12.467 0.292 354 HG23 ILE 41 HG23 ILE 41 -10.453 -13.460 1.382 355 HD11 ILE 41 HD11 ILE 41 -12.322 -11.240 2.335 356 HD12 ILE 41 HD12 ILE 41 -14.056 -11.532 2.213 357 HD13 ILE 41 HD13 ILE 41 -13.263 -10.443 1.076 358 H PHE 42 H PHE 42 -9.215 -10.240 -0.326 359 HA PHE 42 HA PHE 42 -8.137 -11.014 -2.947 360 HB2 PHE 42 HB3 PHE 42 -7.379 -8.729 -1.115 361 HB3 PHE 42 HB2 PHE 42 -6.379 -9.240 -2.469 362 HD1 PHE 42 HD2 PHE 42 -9.725 -7.920 -1.585 363 HD2 PHE 42 HD1 PHE 42 -6.844 -8.550 -4.652 364 HE1 PHE 42 HE2 PHE 42 -11.053 -6.528 -3.116 365 HE2 PHE 42 HE1 PHE 42 -8.168 -7.156 -6.183 366 HZ PHE 42 HZ PHE 42 -10.273 -6.143 -5.416 367 H ASP 43 H ASP 43 -5.376 -10.626 -2.004 368 HA ASP 43 HA ASP 43 -5.031 -12.468 0.180 369 HB2 ASP 43 HB3 ASP 43 -5.522 -13.880 -1.899 370 HB3 ASP 43 HB2 ASP 43 -3.977 -13.312 -2.524 371 H HIS 44 H HIS 44 -2.554 -13.023 0.293 372 HA HIS 44 HA HIS 44 -1.148 -10.580 0.514 373 HB2 HIS 44 HB3 HIS 44 -0.245 -13.459 0.645 374 HB3 HIS 44 HB2 HIS 44 0.857 -12.109 0.889 375 HD1 HIS 44 HD1 HIS 44 1.289 -11.848 3.294 376 HD2 HIS 44 HD2 HIS 44 -2.670 -12.895 2.559 377 HE1 HIS 44 HE1 HIS 44 0.170 -11.907 5.551 378 HE2 HIS 44 HE2 HIS 44 -2.251 -12.458 5.079 379 H ALA 45 H ALA 45 -1.498 -12.875 -2.052 380 HA ALA 45 HA ALA 45 0.657 -12.059 -3.687 381 HB1 ALA 45 HB1 ALA 45 -2.046 -13.106 -4.526 382 HB2 ALA 45 HB2 ALA 45 -0.652 -14.100 -4.098 383 HB3 ALA 45 HB3 ALA 45 -0.590 -13.060 -5.523 384 H HIS 46 H HIS 46 -2.572 -10.771 -3.186 385 HA HIS 46 HA HIS 46 -2.197 -8.783 -5.252 386 HB2 HIS 46 HB3 HIS 46 -4.411 -9.198 -3.243 387 HB3 HIS 46 HB2 HIS 46 -4.380 -7.861 -4.388 388 HD1 HIS 46 HD1 HIS 46 -3.891 -8.950 -7.037 389 HD2 HIS 46 HD2 HIS 46 -5.949 -11.186 -4.184 390 HE1 HIS 46 HE1 HIS 46 -5.247 -10.629 -8.326 391 HE2 HIS 46 HE2 HIS 46 -6.517 -11.944 -6.591 392 H THR 47 H THR 47 -1.536 -9.152 -1.911 393 HA THR 47 HA THR 47 -1.326 -6.474 -1.113 394 HB THR 47 HB THR 47 0.396 -8.824 -0.298 395 HG1 THR 47 HG1 THR 47 -1.559 -7.765 1.386 396 HG21 THR 47 HG21 THR 47 0.064 -6.100 0.964 397 HG22 THR 47 HG22 THR 47 1.531 -6.760 0.236 398 HG23 THR 47 HG23 THR 47 0.886 -7.467 1.722 399 H ARG 48 H ARG 48 1.294 -8.634 -2.230 400 HA ARG 48 HA ARG 48 3.215 -6.642 -2.572 401 HB2 ARG 48 HB3 ARG 48 4.356 -8.247 -4.089 402 HB3 ARG 48 HB2 ARG 48 3.857 -8.967 -2.564 403 HG2 ARG 48 HG3 ARG 48 1.983 -10.033 -3.627 404 HG3 ARG 48 HG2 ARG 48 2.337 -9.217 -5.148 405 HD2 ARG 48 HD3 ARG 48 4.548 -10.379 -5.165 406 HD3 ARG 48 HD2 ARG 48 4.014 -11.296 -3.754 407 HE ARG 48 HE ARG 48 2.617 -12.541 -5.104 408 HH11 ARG 48 HH11 ARG 48 3.954 -9.847 -6.911 409 HH12 ARG 48 HH12 ARG 48 3.344 -10.412 -8.442 410 HH21 ARG 48 HH22 ARG 48 1.812 -13.276 -7.110 411 HH22 ARG 48 HH21 ARG 48 2.131 -12.359 -8.549 412 H GLU 49 H GLU 49 0.863 -7.958 -4.845 413 HA GLU 49 HA GLU 49 1.475 -6.624 -7.155 414 HB2 GLU 49 HB3 GLU 49 -1.031 -7.593 -5.891 415 HB3 GLU 49 HB2 GLU 49 -1.188 -6.550 -7.301 416 HG2 GLU 49 HG3 GLU 49 0.130 -8.114 -8.612 417 HG3 GLU 49 HG2 GLU 49 0.356 -9.132 -7.188 418 H PHE 50 H PHE 50 -0.830 -5.446 -4.690 419 HA PHE 50 HA PHE 50 -1.084 -2.929 -6.013 420 HB2 PHE 50 HB3 PHE 50 -2.126 -3.977 -3.390 421 HB3 PHE 50 HB2 PHE 50 -2.429 -2.330 -3.937 422 HD1 PHE 50 HD1 PHE 50 -2.646 -3.082 -6.911 423 HD2 PHE 50 HD2 PHE 50 -4.412 -4.673 -3.382 424 HE1 PHE 50 HE1 PHE 50 -4.574 -3.843 -8.228 425 HE2 PHE 50 HE2 PHE 50 -6.345 -5.442 -4.696 426 HZ PHE 50 HZ PHE 50 -6.427 -5.018 -7.122 427 H ILE 51 H ILE 51 0.695 -4.036 -3.152 428 HA ILE 51 HA ILE 51 1.337 -1.455 -2.214 429 HB ILE 51 HB ILE 51 2.788 -4.058 -1.761 430 HG12 ILE 51 HG13 ILE 51 0.552 -4.045 -0.813 431 HG13 ILE 51 HG12 ILE 51 1.731 -3.893 0.487 432 HG21 ILE 51 HG21 ILE 51 3.917 -2.913 0.090 433 HG22 ILE 51 HG22 ILE 51 3.174 -1.392 -0.407 434 HG23 ILE 51 HG23 ILE 51 4.327 -2.200 -1.471 435 HD11 ILE 51 HD11 ILE 51 1.300 -1.498 0.605 436 HD12 ILE 51 HD12 ILE 51 -0.179 -2.432 0.835 437 HD13 ILE 51 HD13 ILE 51 0.132 -1.640 -0.710 438 H GLN 52 H GLN 52 3.136 -3.703 -4.327 439 HA GLN 52 HA GLN 52 5.385 -2.032 -4.664 440 HB2 GLN 52 HB3 GLN 52 4.275 -4.134 -6.531 441 HB3 GLN 52 HB2 GLN 52 5.850 -3.376 -6.699 442 HG2 GLN 52 HG3 GLN 52 4.950 -5.083 -4.390 443 HG3 GLN 52 HG2 GLN 52 6.010 -5.587 -5.701 444 HE21 GLN 52 HE22 GLN 52 6.475 -5.528 -2.833 445 HE22 GLN 52 HE21 GLN 52 7.880 -4.549 -2.593 446 H SER 53 H SER 53 2.322 -2.284 -6.397 447 HA SER 53 HA SER 53 2.945 -0.502 -8.486 448 HB2 SER 53 HB3 SER 53 0.253 -1.107 -7.234 449 HB3 SER 53 HB2 SER 53 0.502 -0.309 -8.788 450 HG SER 53 HG SER 53 1.266 -2.962 -8.084 451 H PHE 54 H PHE 54 1.678 0.022 -5.227 452 HA PHE 54 HA PHE 54 1.196 2.796 -5.543 453 HB2 PHE 54 HB3 PHE 54 0.372 1.245 -3.662 454 HB3 PHE 54 HB2 PHE 54 1.952 1.498 -2.927 455 HD1 PHE 54 HD1 PHE 54 2.596 3.719 -2.106 456 HD2 PHE 54 HD2 PHE 54 -1.281 2.968 -3.691 457 HE1 PHE 54 HE1 PHE 54 1.785 5.813 -1.102 458 HE2 PHE 54 HE2 PHE 54 -2.099 5.061 -2.691 459 HZ PHE 54 HZ PHE 54 -0.567 6.486 -1.396 460 H ILE 55 H ILE 55 4.025 0.897 -4.711 461 HA ILE 55 HA ILE 55 5.715 3.073 -4.010 462 HB ILE 55 HB ILE 55 6.477 0.369 -5.140 463 HG12 ILE 55 HG13 ILE 55 6.328 1.308 -2.265 464 HG13 ILE 55 HG12 ILE 55 5.166 0.241 -3.044 465 HG21 ILE 55 HG21 ILE 55 8.672 0.782 -4.138 466 HG22 ILE 55 HG22 ILE 55 8.144 2.391 -3.644 467 HG23 ILE 55 HG23 ILE 55 8.281 1.994 -5.357 468 HD11 ILE 55 HD11 ILE 55 6.921 -1.429 -3.359 469 HD12 ILE 55 HD12 ILE 55 6.705 -1.010 -1.660 470 HD13 ILE 55 HD13 ILE 55 8.073 -0.360 -2.561 471 H GLU 56 H GLU 56 4.721 1.625 -7.031 472 HA GLU 56 HA GLU 56 6.615 2.965 -8.687 473 HB2 GLU 56 HB3 GLU 56 3.881 1.878 -9.386 474 HB3 GLU 56 HB2 GLU 56 5.105 2.378 -10.543 475 HG2 GLU 56 HG3 GLU 56 6.592 0.614 -9.684 476 HG3 GLU 56 HG2 GLU 56 5.303 0.094 -8.598 477 H ARG 57 H ARG 57 3.602 3.859 -7.209 478 HA ARG 57 HA ARG 57 3.042 6.119 -8.812 479 HB2 ARG 57 HB3 ARG 57 2.284 5.421 -5.983 480 HB3 ARG 57 HB2 ARG 57 1.747 6.900 -6.769 481 HG2 ARG 57 HG3 ARG 57 0.715 5.535 -8.549 482 HG3 ARG 57 HG2 ARG 57 1.171 4.083 -7.655 483 HD2 ARG 57 HD3 ARG 57 -0.245 4.658 -5.836 484 HD3 ARG 57 HD2 ARG 57 -0.520 6.278 -6.479 485 HE ARG 57 HE ARG 57 -1.373 4.335 -8.351 486 HH11 ARG 57 HH11 ARG 57 -2.302 5.748 -5.280 487 HH12 ARG 57 HH12 ARG 57 -4.002 5.502 -5.541 488 HH21 ARG 57 HH22 ARG 57 -3.606 4.034 -8.692 489 HH22 ARG 57 HH21 ARG 57 -4.741 4.530 -7.471 490 H ASP 58 H ASP 58 5.240 5.620 -6.136 491 HA ASP 58 HA ASP 58 5.867 8.362 -5.707 492 HB2 ASP 58 HB3 ASP 58 7.520 5.874 -5.210 493 HB3 ASP 58 HB2 ASP 58 7.976 7.490 -4.681 494 H ASP 59 H ASP 59 6.780 6.005 -8.066 495 HA ASP 59 HA ASP 59 9.041 7.414 -9.110 496 HB2 ASP 59 HB3 ASP 59 8.925 5.063 -9.534 497 HB3 ASP 59 HB2 ASP 59 7.313 5.202 -10.227 498 H THR 60 H THR 60 5.620 7.649 -9.485 499 HA THR 60 HA THR 60 5.504 8.949 -11.971 500 HB THR 60 HB THR 60 3.652 9.431 -9.632 501 HG1 THR 60 HG1 THR 60 3.926 7.249 -11.415 502 HG21 THR 60 HG21 THR 60 3.339 10.923 -11.563 503 HG22 THR 60 HG22 THR 60 1.977 9.818 -11.376 504 HG23 THR 60 HG23 THR 60 3.193 9.520 -12.620 505 H GLU 61 H GLU 61 6.096 10.123 -8.701 506 HA GLU 61 HA GLU 61 6.225 12.883 -9.518 507 HB2 GLU 61 HB3 GLU 61 7.211 11.609 -6.962 508 HB3 GLU 61 HB2 GLU 61 6.959 13.326 -7.243 509 HG2 GLU 61 HG3 GLU 61 4.522 12.692 -7.709 510 HG3 GLU 61 HG2 GLU 61 4.924 11.158 -6.934 511 H LEU 62 H LEU 62 8.339 10.194 -9.353 512 HA LEU 62 HA LEU 62 10.812 11.600 -9.470 513 HB2 LEU 62 HB3 LEU 62 10.631 9.255 -8.772 514 HB3 LEU 62 HB2 LEU 62 10.054 8.815 -10.365 515 HG LEU 62 HG LEU 62 12.228 9.363 -11.332 516 HD11 LEU 62 HD11 LEU 62 13.057 9.975 -8.502 517 HD12 LEU 62 HD12 LEU 62 12.866 11.156 -9.798 518 HD13 LEU 62 HD13 LEU 62 14.121 9.920 -9.907 519 HD21 LEU 62 HD21 LEU 62 13.529 7.572 -10.230 520 HD22 LEU 62 HD22 LEU 62 11.862 7.102 -10.569 521 HD23 LEU 62 HD23 LEU 62 12.335 7.544 -8.929 522 H ASP 63 H ASP 63 8.534 10.332 -11.826 523 HA ASP 63 HA ASP 63 10.023 11.112 -14.126 524 HB2 ASP 63 HB3 ASP 63 8.273 9.335 -14.125 525 HB3 ASP 63 HB2 ASP 63 7.055 10.581 -13.881 526 H GLU 64 H GLU 64 7.846 12.716 -11.953 527 HA GLU 64 HA GLU 64 7.247 14.961 -13.566 528 HB2 GLU 64 HB3 GLU 64 7.224 14.431 -10.625 529 HB3 GLU 64 HB2 GLU 64 7.068 16.088 -11.198 530 HG2 GLU 64 HG3 GLU 64 5.278 13.771 -11.883 531 HG3 GLU 64 HG2 GLU 64 4.889 15.144 -10.843 532 H LEU 65 H LEU 65 9.989 14.097 -11.590 533 HA LEU 65 HA LEU 65 11.335 16.592 -11.763 534 HB2 LEU 65 HB3 LEU 65 12.352 13.781 -11.330 535 HB3 LEU 65 HB2 LEU 65 13.370 15.206 -11.240 536 HG LEU 65 HG LEU 65 10.978 14.717 -9.465 537 HD11 LEU 65 HD11 LEU 65 12.717 13.069 -9.046 538 HD12 LEU 65 HD12 LEU 65 12.624 14.233 -7.724 539 HD13 LEU 65 HD13 LEU 65 13.919 14.353 -8.917 540 HD21 LEU 65 HD21 LEU 65 11.566 17.078 -9.822 541 HD22 LEU 65 HD22 LEU 65 13.215 16.734 -9.300 542 HD23 LEU 65 HD23 LEU 65 11.876 16.558 -8.165 543 H LYS 66 H LYS 66 11.130 13.743 -13.765 544 HA LYS 66 HA LYS 66 13.156 14.397 -15.617 545 HB2 LYS 66 HB3 LYS 66 10.656 12.720 -15.933 546 HB3 LYS 66 HB2 LYS 66 11.969 12.782 -17.105 547 HG2 LYS 66 HG3 LYS 66 13.499 11.848 -15.473 548 HG3 LYS 66 HG2 LYS 66 12.227 11.858 -14.251 549 HD2 LYS 66 HD3 LYS 66 10.914 10.301 -15.628 550 HD3 LYS 66 HD2 LYS 66 12.211 10.279 -16.822 551 HE2 LYS 66 HE3 LYS 66 12.477 9.407 -13.947 552 HE3 LYS 66 HE2 LYS 66 12.259 8.323 -15.319 553 HZ1 LYS 66 HZ1 LYS 66 14.341 9.132 -16.244 554 HZ2 LYS 66 HZ2 LYS 66 14.582 8.482 -14.695 555 HZ3 LYS 66 HZ3 LYS 66 14.557 10.164 -14.913 556 H LYS 67 H LYS 67 9.737 15.215 -15.394 557 HA LYS 67 HA LYS 67 9.628 16.431 -17.996 558 HB2 LYS 67 HB3 LYS 67 7.695 16.683 -15.689 559 HB3 LYS 67 HB2 LYS 67 7.398 17.208 -17.336 560 HG2 LYS 67 HG3 LYS 67 7.717 14.777 -18.003 561 HG3 LYS 67 HG2 LYS 67 7.600 14.413 -16.277 562 HD2 LYS 67 HD3 LYS 67 5.444 15.755 -16.292 563 HD3 LYS 67 HD2 LYS 67 5.539 15.705 -18.051 564 HE2 LYS 67 HE3 LYS 67 4.100 13.943 -17.350 565 HE3 LYS 67 HE2 LYS 67 5.608 13.216 -17.896 566 HZ1 LYS 67 HZ1 LYS 67 6.207 12.635 -15.782 567 HZ2 LYS 67 HZ2 LYS 67 4.525 12.461 -15.682 568 HZ3 LYS 67 HZ3 LYS 67 5.266 13.846 -15.043 569 H LYS 68 H LYS 68 11.106 17.449 -15.226 570 HA LYS 68 HA LYS 68 10.225 20.114 -14.967 571 HB2 LYS 68 HB3 LYS 68 11.697 18.745 -13.364 572 HB3 LYS 68 HB2 LYS 68 13.042 19.198 -14.399 573 HG2 LYS 68 HG3 LYS 68 11.240 21.265 -13.190 574 HG3 LYS 68 HG2 LYS 68 12.597 20.588 -12.296 575 HD2 LYS 68 HD3 LYS 68 14.158 21.403 -13.914 576 HD3 LYS 68 HD2 LYS 68 12.858 21.881 -15.007 577 HE2 LYS 68 HE3 LYS 68 13.259 23.040 -12.255 578 HE3 LYS 68 HE2 LYS 68 13.906 23.761 -13.727 579 HZ1 LYS 68 HZ1 LYS 68 11.023 23.277 -13.172 580 HZ2 LYS 68 HZ2 LYS 68 11.661 23.997 -14.571 581 HZ3 LYS 68 HZ3 LYS 68 11.808 24.777 -13.073 582 H ARG 69 H ARG 69 12.859 18.666 -16.832 583 HA ARG 69 HA ARG 69 13.045 21.168 -18.377 584 HB2 ARG 69 HB3 ARG 69 15.131 19.026 -17.900 585 HB3 ARG 69 HB2 ARG 69 15.333 20.372 -19.015 586 HG2 ARG 69 HG3 ARG 69 15.105 21.947 -17.159 587 HG3 ARG 69 HG2 ARG 69 14.904 20.596 -16.043 588 HD2 ARG 69 HD3 ARG 69 17.134 19.828 -16.478 589 HD3 ARG 69 HD2 ARG 69 17.343 21.023 -17.761 590 HE ARG 69 HE ARG 69 16.770 22.540 -15.585 591 HH11 ARG 69 HH11 ARG 69 19.153 20.022 -16.163 592 HH12 ARG 69 HH12 ARG 69 20.311 20.714 -15.070 593 HH21 ARG 69 HH22 ARG 69 18.300 23.434 -14.172 594 HH22 ARG 69 HH21 ARG 69 19.842 22.662 -13.958 595 H ARG 70 H ARG 70 14.116 20.418 -20.703 596 HA ARG 70 HA ARG 70 12.054 18.954 -21.994 597 HB2 ARG 70 HB3 ARG 70 14.814 19.483 -23.109 598 HB3 ARG 70 HB2 ARG 70 13.348 19.153 -24.017 599 HG2 ARG 70 HG3 ARG 70 12.447 21.317 -22.996 600 HG3 ARG 70 HG2 ARG 70 14.122 21.646 -22.550 601 HD2 ARG 70 HD3 ARG 70 12.933 21.341 -25.293 602 HD3 ARG 70 HD2 ARG 70 13.814 22.713 -24.624 603 HE ARG 70 HE ARG 70 15.173 20.140 -25.094 604 HH11 ARG 70 HH11 ARG 70 14.904 23.589 -25.645 605 HH12 ARG 70 HH12 ARG 70 16.360 23.686 -26.584 606 HH21 ARG 70 HH22 ARG 70 17.085 20.262 -26.350 607 HH22 ARG 70 HH21 ARG 70 17.607 21.797 -26.981 608 H SER 71 H SER 71 12.475 16.965 -23.324 609 HA SER 71 HA SER 71 13.596 14.924 -21.657 610 HB2 SER 71 HB3 SER 71 12.487 14.773 -24.470 611 HB3 SER 71 HB2 SER 71 12.863 13.388 -23.446 612 HG SER 71 HG SER 71 11.278 14.113 -21.977 613 H ASN 72 H ASN 72 15.632 16.497 -22.011 614 HA ASN 72 HA ASN 72 17.404 15.052 -23.860 615 HB2 ASN 72 HB3 ASN 72 17.557 17.991 -23.141 616 HB3 ASN 72 HB2 ASN 72 18.738 17.124 -24.110 617 HD21 ASN 72 HD22 ASN 72 18.114 16.377 -26.184 618 HD22 ASN 72 HD21 ASN 72 16.825 17.148 -27.041 619 H ARG 73 H ARG 73 17.446 17.283 -21.116 620 HA ARG 73 HA ARG 73 19.331 15.504 -19.747 621 HB2 ARG 73 HB3 ARG 73 19.608 18.510 -19.938 622 HB3 ARG 73 HB2 ARG 73 20.643 17.441 -19.002 623 HG2 ARG 73 HG3 ARG 73 21.369 16.351 -21.074 624 HG3 ARG 73 HG2 ARG 73 20.354 17.459 -21.998 625 HD2 ARG 73 HD3 ARG 73 22.692 18.200 -20.246 626 HD3 ARG 73 HD2 ARG 73 22.657 18.219 -22.007 627 HE ARG 73 HE ARG 73 21.187 20.062 -20.239 628 HH11 ARG 73 HH11 ARG 73 22.493 19.229 -23.384 629 HH12 ARG 73 HH12 ARG 73 22.208 20.810 -24.059 630 HH21 ARG 73 HH22 ARG 73 20.811 22.136 -21.125 631 HH22 ARG 73 HH21 ARG 73 21.278 22.466 -22.770 632 HA PRO 74 HA PRO 74 16.086 16.527 -16.701 633 HB2 PRO 74 HB2 PRO 74 16.772 13.935 -15.567 634 HB3 PRO 74 HB3 PRO 74 15.238 14.467 -16.257 635 HG2 PRO 74 HG3 PRO 74 16.826 12.609 -17.439 636 HG3 PRO 74 HG2 PRO 74 15.759 13.694 -18.349 637 HD2 PRO 74 HD3 PRO 74 18.712 13.888 -17.885 638 HD3 PRO 74 HD2 PRO 74 17.778 14.200 -19.365 639 HA PRO 75 HA PRO 75 18.762 17.795 -13.376 640 HB2 PRO 75 HB2 PRO 75 16.753 16.766 -11.464 641 HB3 PRO 75 HB3 PRO 75 17.389 18.406 -11.655 642 HG2 PRO 75 HG3 PRO 75 14.908 17.788 -12.436 643 HG3 PRO 75 HG2 PRO 75 15.906 18.929 -13.356 644 HD2 PRO 75 HD3 PRO 75 15.278 16.061 -13.939 645 HD3 PRO 75 HD2 PRO 75 15.411 17.438 -15.053 646 H SER 76 H SER 76 20.510 16.482 -13.214 647 HA SER 76 HA SER 76 20.481 13.726 -12.753 648 HB2 SER 76 HB3 SER 76 22.758 15.489 -11.886 649 HB3 SER 76 HB2 SER 76 22.821 13.881 -12.604 650 HG SER 76 HG SER 76 21.947 14.902 -14.553 651 H ASN 77 H ASN 77 21.108 16.401 -10.492 652 HA ASN 77 HA ASN 77 21.564 14.685 -8.256 653 HB2 ASN 77 HB3 ASN 77 22.584 16.910 -8.423 654 HB3 ASN 77 HB2 ASN 77 20.990 17.655 -8.368 655 HD21 ASN 77 HD22 ASN 77 21.324 18.817 -6.546 656 HD22 ASN 77 HD21 ASN 77 21.528 18.103 -4.977 657 H ARG 78 H ARG 78 18.842 16.701 -9.297 658 HA ARG 78 HA ARG 78 17.324 16.364 -6.942 659 HB2 ARG 78 HB3 ARG 78 16.283 17.012 -9.700 660 HB3 ARG 78 HB2 ARG 78 15.489 17.346 -8.166 661 HG2 ARG 78 HG3 ARG 78 17.406 18.837 -7.589 662 HG3 ARG 78 HG2 ARG 78 18.003 18.604 -9.233 663 HD2 ARG 78 HD3 ARG 78 15.809 19.456 -10.066 664 HD3 ARG 78 HD2 ARG 78 15.385 19.838 -8.397 665 HE ARG 78 HE ARG 78 17.387 21.179 -10.052 666 HH11 ARG 78 HH11 ARG 78 15.825 20.864 -6.926 667 HH12 ARG 78 HH12 ARG 78 16.246 22.471 -6.413 668 HH21 ARG 78 HH22 ARG 78 17.950 23.280 -9.382 669 HH22 ARG 78 HH21 ARG 78 17.490 23.832 -7.796 670 H GLN 79 H GLN 79 17.429 14.585 -9.981 671 HA GLN 79 HA GLN 79 15.151 12.978 -9.484 672 HB2 GLN 79 HB3 GLN 79 16.195 13.325 -11.721 673 HB3 GLN 79 HB2 GLN 79 17.551 12.333 -11.203 674 HG2 GLN 79 HG3 GLN 79 16.080 10.425 -10.939 675 HG3 GLN 79 HG2 GLN 79 14.695 11.417 -11.399 676 HE21 GLN 79 HE22 GLN 79 17.587 9.837 -12.513 677 HE22 GLN 79 HE21 GLN 79 17.236 9.945 -14.205 678 H VAL 80 H VAL 80 18.580 12.621 -8.779 679 HA VAL 80 HA VAL 80 18.374 9.975 -7.724 680 HB VAL 80 HB VAL 80 20.494 12.091 -7.285 681 HG11 VAL 80 HG11 VAL 80 20.478 10.455 -5.452 682 HG12 VAL 80 HG12 VAL 80 21.917 10.299 -6.458 683 HG13 VAL 80 HG13 VAL 80 20.595 9.146 -6.629 684 HG21 VAL 80 HG21 VAL 80 20.421 9.676 -9.092 685 HG22 VAL 80 HG22 VAL 80 21.788 10.772 -8.891 686 HG23 VAL 80 HG23 VAL 80 20.285 11.360 -9.601 687 H LEU 81 H LEU 81 18.101 13.201 -6.372 688 HA LEU 81 HA LEU 81 18.093 12.565 -3.648 689 HB2 LEU 81 HB3 LEU 81 18.219 14.852 -4.507 690 HB3 LEU 81 HB2 LEU 81 16.573 14.733 -5.098 691 HG LEU 81 HG LEU 81 15.758 14.526 -2.784 692 HD11 LEU 81 HD11 LEU 81 17.703 13.480 -1.780 693 HD12 LEU 81 HD12 LEU 81 17.292 14.966 -0.922 694 HD13 LEU 81 HD13 LEU 81 18.651 14.944 -2.046 695 HD21 LEU 81 HD21 LEU 81 15.849 16.718 -3.808 696 HD22 LEU 81 HD22 LEU 81 17.531 16.908 -3.311 697 HD23 LEU 81 HD23 LEU 81 16.254 16.837 -2.096 698 H LEU 82 H LEU 82 15.420 12.680 -5.983 699 HA LEU 82 HA LEU 82 13.343 11.923 -4.244 700 HB2 LEU 82 HB3 LEU 82 13.212 12.752 -6.667 701 HB3 LEU 82 HB2 LEU 82 13.580 11.112 -7.143 702 HG LEU 82 HG LEU 82 11.185 11.643 -7.324 703 HD11 LEU 82 HD11 LEU 82 11.791 9.581 -5.218 704 HD12 LEU 82 HD12 LEU 82 11.791 9.333 -6.966 705 HD13 LEU 82 HD13 LEU 82 10.285 9.711 -6.127 706 HD21 LEU 82 HD21 LEU 82 9.828 11.922 -5.303 707 HD22 LEU 82 HD22 LEU 82 10.974 13.246 -5.535 708 HD23 LEU 82 HD23 LEU 82 11.303 11.992 -4.338 709 H GLN 83 H GLN 83 15.535 10.040 -6.268 710 HA GLN 83 HA GLN 83 14.583 7.487 -5.789 711 HB2 GLN 83 HB3 GLN 83 16.239 7.931 -7.485 712 HB3 GLN 83 HB2 GLN 83 17.406 8.445 -6.275 713 HG2 GLN 83 HG3 GLN 83 17.429 6.159 -5.365 714 HG3 GLN 83 HG2 GLN 83 16.320 5.663 -6.643 715 HE21 GLN 83 HE22 GLN 83 19.062 4.799 -6.014 716 HE22 GLN 83 HE21 GLN 83 19.974 5.060 -7.467 717 H GLN 84 H GLN 84 17.024 9.308 -3.939 718 HA GLN 84 HA GLN 84 17.636 7.220 -2.149 719 HB2 GLN 84 HB3 GLN 84 17.928 10.209 -1.847 720 HB3 GLN 84 HB2 GLN 84 18.599 9.034 -0.723 721 HG2 GLN 84 HG3 GLN 84 19.949 8.084 -2.524 722 HG3 GLN 84 HG2 GLN 84 19.277 9.266 -3.647 723 HE21 GLN 84 HE22 GLN 84 22.031 8.783 -2.826 724 HE22 GLN 84 HE21 GLN 84 22.613 10.284 -2.198 725 H ARG 85 H ARG 85 15.252 9.825 -1.964 726 HA ARG 85 HA ARG 85 14.380 9.277 0.679 727 HB2 ARG 85 HB3 ARG 85 13.058 10.634 -1.670 728 HB3 ARG 85 HB2 ARG 85 12.275 10.491 -0.103 729 HG2 ARG 85 HG3 ARG 85 13.906 11.848 0.942 730 HG3 ARG 85 HG2 ARG 85 14.969 11.771 -0.464 731 HD2 ARG 85 HD3 ARG 85 13.721 13.925 -0.203 732 HD3 ARG 85 HD2 ARG 85 13.491 13.120 -1.754 733 HE ARG 85 HE ARG 85 11.449 12.337 0.023 734 HH11 ARG 85 HH11 ARG 85 12.514 15.189 -1.713 735 HH12 ARG 85 HH12 ARG 85 10.907 15.795 -1.957 736 HH21 ARG 85 HH22 ARG 85 9.325 13.128 -0.305 737 HH22 ARG 85 HH21 ARG 85 9.091 14.602 -1.207 738 H ARG 86 H ARG 86 13.175 8.308 -2.495 739 HA ARG 86 HA ARG 86 11.034 6.701 -1.663 740 HB2 ARG 86 HB3 ARG 86 11.464 7.528 -3.980 741 HB3 ARG 86 HB2 ARG 86 12.782 6.376 -4.113 742 HG2 ARG 86 HG3 ARG 86 11.185 4.535 -3.856 743 HG3 ARG 86 HG2 ARG 86 9.868 5.709 -3.756 744 HD2 ARG 86 HD3 ARG 86 10.468 6.548 -5.987 745 HD3 ARG 86 HD2 ARG 86 11.746 5.341 -6.087 746 HE ARG 86 HE ARG 86 8.962 4.476 -5.739 747 HH11 ARG 86 HH11 ARG 86 11.860 4.654 -7.705 748 HH12 ARG 86 HH12 ARG 86 11.302 3.479 -8.857 749 HH21 ARG 86 HH22 ARG 86 8.223 2.953 -7.281 750 HH22 ARG 86 HH21 ARG 86 9.250 2.520 -8.621 751 H ASP 87 H ASP 87 14.436 5.986 -2.235 752 HA ASP 87 HA ASP 87 14.363 3.208 -1.826 753 HB2 ASP 87 HB3 ASP 87 16.284 4.229 -2.857 754 HB3 ASP 87 HB2 ASP 87 16.583 5.221 -1.434 755 H GLN 88 H GLN 88 14.672 5.902 0.436 756 HA GLN 88 HA GLN 88 15.424 4.408 2.689 757 HB2 GLN 88 HB3 GLN 88 15.540 6.849 2.696 758 HB3 GLN 88 HB2 GLN 88 13.786 6.950 2.579 759 HG2 GLN 88 HG3 GLN 88 13.642 5.750 4.756 760 HG3 GLN 88 HG2 GLN 88 15.394 5.872 4.882 761 HE21 GLN 88 HE22 GLN 88 13.292 6.947 6.596 762 HE22 GLN 88 HE21 GLN 88 13.572 8.660 6.659 763 H GLU 89 H GLU 89 12.179 5.367 1.541 764 HA GLU 89 HA GLU 89 10.887 3.936 3.650 765 HB2 GLU 89 HB3 GLU 89 9.795 5.825 2.484 766 HB3 GLU 89 HB2 GLU 89 9.688 4.840 1.028 767 HG2 GLU 89 HG3 GLU 89 8.087 3.446 1.921 768 HG3 GLU 89 HG2 GLU 89 8.535 3.823 3.582 769 H LEU 90 H LEU 90 11.904 3.121 0.398 770 HA LEU 90 HA LEU 90 10.597 0.636 0.193 771 HB2 LEU 90 HB3 LEU 90 11.736 1.774 -1.683 772 HB3 LEU 90 HB2 LEU 90 13.283 1.452 -0.925 773 HG LEU 90 HG LEU 90 12.863 -0.982 -1.168 774 HD11 LEU 90 HD11 LEU 90 11.058 -1.738 -2.627 775 HD12 LEU 90 HD12 LEU 90 10.452 -0.087 -2.741 776 HD13 LEU 90 HD13 LEU 90 10.426 -0.930 -1.194 777 HD21 LEU 90 HD21 LEU 90 14.171 0.242 -2.830 778 HD22 LEU 90 HD22 LEU 90 12.699 0.604 -3.727 779 HD23 LEU 90 HD23 LEU 90 13.250 -1.063 -3.574 780 H LYS 91 H LYS 91 13.759 1.547 1.491 781 HA LYS 91 HA LYS 91 14.639 -0.989 2.302 782 HB2 LYS 91 HB3 LYS 91 16.027 1.072 2.193 783 HB3 LYS 91 HB2 LYS 91 15.173 1.697 3.594 784 HG2 LYS 91 HG3 LYS 91 16.024 -0.222 4.908 785 HG3 LYS 91 HG2 LYS 91 16.963 -0.719 3.498 786 HD2 LYS 91 HD3 LYS 91 18.074 1.501 3.517 787 HD3 LYS 91 HD2 LYS 91 17.207 1.884 5.006 788 HE2 LYS 91 HE3 LYS 91 19.419 1.149 5.572 789 HE3 LYS 91 HE2 LYS 91 18.270 -0.091 6.069 790 HZ1 LYS 91 HZ1 LYS 91 18.814 -1.342 4.069 791 HZ2 LYS 91 HZ2 LYS 91 20.197 -1.064 5.004 792 HZ3 LYS 91 HZ3 LYS 91 19.928 -0.152 3.603 793 H GLU 92 H GLU 92 12.750 1.475 3.972 794 HA GLU 92 HA GLU 92 12.484 0.142 6.445 795 HB2 GLU 92 HB3 GLU 92 12.093 2.548 6.109 796 HB3 GLU 92 HB2 GLU 92 10.684 2.183 5.128 797 HG2 GLU 92 HG3 GLU 92 9.549 1.247 7.038 798 HG3 GLU 92 HG2 GLU 92 10.985 1.484 8.037 799 H PHE 93 H PHE 93 10.543 0.169 3.516 800 HA PHE 93 HA PHE 93 8.358 -1.338 4.408 801 HB2 PHE 93 HB3 PHE 93 8.178 -0.133 2.365 802 HB3 PHE 93 HB2 PHE 93 9.599 -0.918 1.691 803 HD1 PHE 93 HD2 PHE 93 6.311 -1.961 3.124 804 HD2 PHE 93 HD1 PHE 93 9.194 -2.413 0.032 805 HE1 PHE 93 HE2 PHE 93 4.873 -3.629 2.034 806 HE2 PHE 93 HE1 PHE 93 7.760 -4.079 -1.065 807 HZ PHE 93 HZ PHE 93 5.597 -4.689 -0.063 808 H LYS 94 H LYS 94 11.484 -2.321 3.107 809 HA LYS 94 HA LYS 94 10.788 -5.109 2.979 810 HB2 LYS 94 HB3 LYS 94 13.459 -3.710 2.771 811 HB3 LYS 94 HB2 LYS 94 13.207 -5.427 2.488 812 HG2 LYS 94 HG3 LYS 94 11.750 -4.929 0.612 813 HG3 LYS 94 HG2 LYS 94 11.931 -3.199 0.915 814 HD2 LYS 94 HD3 LYS 94 14.321 -3.358 0.473 815 HD3 LYS 94 HD2 LYS 94 14.171 -5.096 0.216 816 HE2 LYS 94 HE3 LYS 94 12.831 -2.954 -1.428 817 HE3 LYS 94 HE2 LYS 94 14.274 -3.849 -1.898 818 HZ1 LYS 94 HZ1 LYS 94 11.514 -4.882 -1.575 819 HZ2 LYS 94 HZ2 LYS 94 12.864 -5.907 -1.648 820 HZ3 LYS 94 HZ3 LYS 94 12.490 -4.903 -2.960 821 H ALA 95 H ALA 95 11.241 -3.184 5.556 822 HA ALA 95 HA ALA 95 12.613 -5.220 7.157 823 HB1 ALA 95 HB1 ALA 95 11.773 -2.419 7.906 824 HB2 ALA 95 HB2 ALA 95 13.392 -2.915 7.418 825 HB3 ALA 95 HB3 ALA 95 12.697 -3.528 8.919 826 H GLY 96 H GLY 96 9.580 -4.534 6.134 827 HA2 GLY 96 HA3 GLY 96 7.787 -5.978 6.922 828 HA3 GLY 96 HA2 GLY 96 8.380 -5.719 8.556 829 H PHE 97 H PHE 97 6.750 -4.233 5.830 830 HA PHE 97 HA PHE 97 6.173 -1.797 7.270 831 HB2 PHE 97 HB3 PHE 97 6.526 -2.012 4.747 832 HB3 PHE 97 HB2 PHE 97 4.912 -2.713 4.683 833 HD1 PHE 97 HD2 PHE 97 6.782 0.326 5.686 834 HD2 PHE 97 HD1 PHE 97 3.024 -1.342 4.591 835 HE1 PHE 97 HE2 PHE 97 5.822 2.589 5.544 836 HE2 PHE 97 HE1 PHE 97 2.059 0.916 4.442 837 HZ PHE 97 HZ PHE 97 3.460 2.885 4.919 838 H LEU 98 H LEU 98 4.007 -1.065 7.743 839 HA LEU 98 HA LEU 98 2.417 -3.140 8.933 840 HB2 LEU 98 HB3 LEU 98 2.804 -0.919 9.991 841 HB3 LEU 98 HB2 LEU 98 1.855 -0.180 8.716 842 HG LEU 98 HG LEU 98 -0.104 -1.530 9.457 843 HD11 LEU 98 HD11 LEU 98 -0.017 -2.599 11.653 844 HD12 LEU 98 HD12 LEU 98 1.710 -2.258 11.751 845 HD13 LEU 98 HD13 LEU 98 1.097 -3.358 10.517 846 HD21 LEU 98 HD21 LEU 98 -0.572 -0.190 11.438 847 HD22 LEU 98 HD22 LEU 98 0.203 0.785 10.189 848 HD23 LEU 98 HD23 LEU 98 1.137 0.225 11.575 849 H CYS 99 H CYS 99 1.481 -4.371 7.357 850 HA CYS 99 HA CYS 99 -0.534 -3.007 5.702 851 HB2 CYS 99 HB3 CYS 99 1.184 -5.354 4.865 852 HB3 CYS 99 HB2 CYS 99 -0.111 -4.641 3.908 853 HG CYS 99 HG CYS 99 1.838 -2.184 4.649 854 HA PRO 100 HA PRO 100 -3.300 -5.906 7.593 855 HB2 PRO 100 HB2 PRO 100 -5.342 -5.832 5.811 856 HB3 PRO 100 HB3 PRO 100 -5.015 -4.522 6.949 857 HG2 PRO 100 HG3 PRO 100 -4.317 -4.737 4.054 858 HG3 PRO 100 HG2 PRO 100 -4.915 -3.337 4.962 859 HD2 PRO 100 HD3 PRO 100 -2.293 -3.681 4.309 860 HD3 PRO 100 HD2 PRO 100 -2.827 -2.801 5.755 861 H ASP 101 H ASP 101 -4.379 -7.955 7.184 862 HA ASP 101 HA ASP 101 -2.731 -9.776 5.822 863 HB2 ASP 101 HB3 ASP 101 -4.080 -10.481 7.705 864 HB3 ASP 101 HB2 ASP 101 -5.562 -10.104 6.828 865 H LEU 102 H LEU 102 -5.894 -8.455 4.987 866 HA LEU 102 HA LEU 102 -6.783 -7.884 2.980 867 HB2 LEU 102 HB3 LEU 102 -4.360 -7.497 2.334 868 HB3 LEU 102 HB2 LEU 102 -4.390 -9.094 1.614 869 HG LEU 102 HG LEU 102 -6.252 -8.326 0.132 870 HD11 LEU 102 HD11 LEU 102 -7.063 -6.503 1.548 871 HD12 LEU 102 HD12 LEU 102 -6.670 -5.940 -0.077 872 HD13 LEU 102 HD13 LEU 102 -5.566 -5.615 1.259 873 HD21 LEU 102 HD21 LEU 102 -3.942 -8.368 -0.654 874 HD22 LEU 102 HD22 LEU 102 -3.691 -6.742 -0.021 875 HD23 LEU 102 HD23 LEU 102 -4.823 -7.006 -1.347 876 H SER 103 H SER 103 -5.794 -11.099 3.697 877 HA SER 103 HA SER 103 -7.653 -12.152 1.672 878 HB2 SER 103 HB3 SER 103 -6.515 -14.385 2.364 879 HB3 SER 103 HB2 SER 103 -5.615 -13.252 1.359 880 HG SER 103 HG SER 103 -5.379 -13.045 4.151 881 H ASP 104 H ASP 104 -8.043 -11.026 4.534 882 HA ASP 104 HA ASP 104 -9.662 -13.264 5.542 883 HB2 ASP 104 HB3 ASP 104 -7.963 -12.376 7.116 884 HB3 ASP 104 HB2 ASP 104 -8.712 -10.788 7.008 885 H ALA 105 H ALA 105 -11.830 -13.072 5.614 886 HA ALA 105 HA ALA 105 -13.070 -11.046 4.071 887 HB1 ALA 105 HB1 ALA 105 -15.173 -12.145 4.678 888 HB2 ALA 105 HB2 ALA 105 -14.323 -13.102 5.890 889 HB3 ALA 105 HB3 ALA 105 -13.952 -13.315 4.180 890 H LYS 106 H LYS 106 -12.878 -11.616 7.548 891 HA LYS 106 HA LYS 106 -14.644 -9.504 8.273 892 HB2 LYS 106 HB3 LYS 106 -12.481 -10.937 9.827 893 HB3 LYS 106 HB2 LYS 106 -13.604 -9.784 10.537 894 HG2 LYS 106 HG3 LYS 106 -15.455 -11.191 10.152 895 HG3 LYS 106 HG2 LYS 106 -14.533 -12.235 9.071 896 HD2 LYS 106 HD3 LYS 106 -13.721 -11.912 11.937 897 HD3 LYS 106 HD2 LYS 106 -15.018 -13.021 11.495 898 HE2 LYS 106 HE3 LYS 106 -12.983 -14.268 11.592 899 HE3 LYS 106 HE2 LYS 106 -13.445 -14.114 9.899 900 HZ1 LYS 106 HZ1 LYS 106 -11.361 -12.535 11.313 901 HZ2 LYS 106 HZ2 LYS 106 -11.834 -12.281 9.703 902 HZ3 LYS 106 HZ3 LYS 106 -11.102 -13.736 10.147 903 H ASN 107 H ASN 107 -11.204 -9.791 7.730 904 HA ASN 107 HA ASN 107 -10.336 -7.253 8.490 905 HB2 ASN 107 HB3 ASN 107 -8.810 -9.045 7.805 906 HB3 ASN 107 HB2 ASN 107 -9.428 -8.966 6.161 907 HD21 ASN 107 HD22 ASN 107 -8.831 -7.239 4.838 908 HD22 ASN 107 HD21 ASN 107 -7.502 -6.206 5.225 909 H MET 108 H MET 108 -11.847 -8.353 5.480 910 HA MET 108 HA MET 108 -11.614 -5.875 4.122 911 HB2 MET 108 HB3 MET 108 -13.349 -8.291 3.692 912 HB3 MET 108 HB2 MET 108 -13.507 -6.854 2.689 913 HG2 MET 108 HG3 MET 108 -11.088 -8.606 3.002 914 HG3 MET 108 HG2 MET 108 -12.089 -8.395 1.564 915 HE1 MET 108 HE1 MET 108 -8.953 -8.157 1.462 916 HE2 MET 108 HE2 MET 108 -8.736 -6.702 0.484 917 HE3 MET 108 HE3 MET 108 -9.981 -7.882 0.057 918 H GLU 109 H GLU 109 -13.987 -7.155 6.356 919 HA GLU 109 HA GLU 109 -16.000 -5.237 5.896 920 HB2 GLU 109 HB3 GLU 109 -16.278 -7.286 7.316 921 HB3 GLU 109 HB2 GLU 109 -15.307 -6.500 8.556 922 HG2 GLU 109 HG3 GLU 109 -16.988 -4.635 8.536 923 HG3 GLU 109 HG2 GLU 109 -17.997 -5.658 7.516 924 H PHE 110 H PHE 110 -13.155 -5.257 8.001 925 HA PHE 110 HA PHE 110 -13.556 -2.761 9.214 926 HB2 PHE 110 HB3 PHE 110 -10.976 -4.198 8.568 927 HB3 PHE 110 HB2 PHE 110 -11.085 -2.768 9.586 928 HD1 PHE 110 HD1 PHE 110 -13.058 -3.071 11.458 929 HD2 PHE 110 HD2 PHE 110 -10.729 -6.166 9.695 930 HE1 PHE 110 HE1 PHE 110 -13.466 -4.493 13.424 931 HE2 PHE 110 HE2 PHE 110 -11.135 -7.592 11.656 932 HZ PHE 110 HZ PHE 110 -12.507 -6.758 13.522 933 H LEU 111 H LEU 111 -11.899 -3.635 6.197 934 HA LEU 111 HA LEU 111 -11.040 -1.044 5.521 935 HB2 LEU 111 HB3 LEU 111 -11.504 -3.560 4.007 936 HB3 LEU 111 HB2 LEU 111 -11.385 -2.077 3.083 937 HG LEU 111 HG LEU 111 -9.153 -1.669 4.149 938 HD11 LEU 111 HD11 LEU 111 -9.481 -4.502 5.114 939 HD12 LEU 111 HD12 LEU 111 -9.459 -3.061 6.133 940 HD13 LEU 111 HD13 LEU 111 -8.018 -3.523 5.223 941 HD21 LEU 111 HD21 LEU 111 -9.336 -2.601 1.912 942 HD22 LEU 111 HD22 LEU 111 -9.461 -4.227 2.586 943 HD23 LEU 111 HD23 LEU 111 -7.968 -3.306 2.776 944 H ARG 112 H ARG 112 -14.016 -2.790 4.686 945 HA ARG 112 HA ARG 112 -15.083 -0.614 3.165 946 HB2 ARG 112 HB3 ARG 112 -16.375 -3.114 4.266 947 HB3 ARG 112 HB2 ARG 112 -17.197 -1.961 3.222 948 HG2 ARG 112 HG3 ARG 112 -15.602 -2.396 1.444 949 HG3 ARG 112 HG2 ARG 112 -14.720 -3.512 2.489 950 HD2 ARG 112 HD3 ARG 112 -16.196 -4.694 0.926 951 HD3 ARG 112 HD2 ARG 112 -16.658 -4.972 2.604 952 HE ARG 112 HE ARG 112 -18.095 -2.791 1.428 953 HH11 ARG 112 HH11 ARG 112 -17.964 -6.296 1.583 954 HH12 ARG 112 HH12 ARG 112 -19.672 -6.496 1.333 955 HH21 ARG 112 HH22 ARG 112 -20.338 -3.066 1.072 956 HH22 ARG 112 HH21 ARG 112 -21.019 -4.660 1.059 957 H ASN 113 H ASN 113 -14.617 -0.891 6.395 958 HA ASN 113 HA ASN 113 -16.890 0.890 6.993 959 HB2 ASN 113 HB3 ASN 113 -15.509 -1.178 8.674 960 HB3 ASN 113 HB2 ASN 113 -16.276 0.200 9.448 961 HD21 ASN 113 HD22 ASN 113 -17.549 -1.244 6.529 962 HD22 ASN 113 HD21 ASN 113 -18.946 -1.955 7.263 963 H TRP 114 H TRP 114 -13.738 0.972 6.266 964 HA TRP 114 HA TRP 114 -12.678 2.503 8.434 965 HB2 TRP 114 HB3 TRP 114 -11.280 1.071 6.944 966 HB3 TRP 114 HB2 TRP 114 -11.569 2.211 5.635 967 HD1 TRP 114 HD1 TRP 114 -10.271 2.568 9.297 968 HE1 TRP 114 HE1 TRP 114 -8.220 4.127 9.249 969 HE3 TRP 114 HE3 TRP 114 -10.100 3.561 4.278 970 HZ2 TRP 114 HZ2 TRP 114 -6.733 5.572 7.353 971 HZ3 TRP 114 HZ3 TRP 114 -8.326 5.038 3.436 972 HH2 TRP 114 HH2 TRP 114 -6.677 6.025 4.942 973 H ASN 115 H ASN 115 -13.429 4.426 8.860 974 HA ASN 115 HA ASN 115 -14.295 6.210 6.726 975 HB2 ASN 115 HB3 ASN 115 -15.168 7.610 8.564 976 HB3 ASN 115 HB2 ASN 115 -15.773 5.959 8.658 977 HD21 ASN 115 HD22 ASN 115 -15.495 8.023 10.732 978 HD22 ASN 115 HD21 ASN 115 -14.497 7.318 11.965 979 H GLY 116 H GLY 116 -11.575 5.623 8.675 980 HA2 GLY 116 HA3 GLY 116 -9.574 6.891 7.859 981 HA3 GLY 116 HA2 GLY 116 -10.544 8.334 8.119 982 H THR 117 H THR 117 -11.587 6.674 10.577 983 HA THR 117 HA THR 117 -10.042 7.973 12.530 984 HB THR 117 HB THR 117 -11.796 5.530 12.867 985 HG1 THR 117 HG1 THR 117 -12.382 8.327 12.970 986 HG21 THR 117 HG21 THR 117 -10.361 5.967 14.809 987 HG22 THR 117 HG22 THR 117 -12.053 6.303 15.175 988 HG23 THR 117 HG23 THR 117 -10.938 7.633 14.859 989 H PHE 118 H PHE 118 -8.084 7.517 13.308 990 HA PHE 118 HA PHE 118 -6.579 5.308 12.420 991 HB2 PHE 118 HB3 PHE 118 -5.611 7.490 13.089 992 HB3 PHE 118 HB2 PHE 118 -6.002 7.123 14.765 993 HD1 PHE 118 HD1 PHE 118 -4.222 5.545 11.884 994 HD2 PHE 118 HD2 PHE 118 -4.312 6.295 16.072 995 HE1 PHE 118 HE1 PHE 118 -2.054 4.406 12.131 996 HE2 PHE 118 HE2 PHE 118 -2.146 5.158 16.326 997 HZ PHE 118 HZ PHE 118 -1.014 4.213 14.354 998 H GLY 119 H GLY 119 -8.730 5.684 15.077 999 HA2 GLY 119 HA3 GLY 119 -7.757 3.721 16.834 1000 HA3 GLY 119 HA2 GLY 119 -9.435 4.224 16.699 1001 H LEU 120 H LEU 120 -9.499 3.438 13.835 1002 HA LEU 120 HA LEU 120 -10.378 0.751 14.202 1003 HB2 LEU 120 HB3 LEU 120 -11.107 2.650 12.500 1004 HB3 LEU 120 HB2 LEU 120 -9.881 1.913 11.491 1005 HG LEU 120 HG LEU 120 -12.183 0.344 12.652 1006 HD11 LEU 120 HD11 LEU 120 -11.987 1.705 9.970 1007 HD12 LEU 120 HD12 LEU 120 -13.090 2.126 11.281 1008 HD13 LEU 120 HD13 LEU 120 -13.251 0.574 10.458 1009 HD21 LEU 120 HD21 LEU 120 -10.281 -0.988 11.915 1010 HD22 LEU 120 HD22 LEU 120 -10.315 -0.187 10.344 1011 HD23 LEU 120 HD23 LEU 120 -11.661 -1.214 10.839 1012 H LEU 121 H LEU 121 -7.383 2.211 13.404 1013 HA LEU 121 HA LEU 121 -6.290 0.040 11.889 1014 HB2 LEU 121 HB3 LEU 121 -5.154 2.517 13.130 1015 HB3 LEU 121 HB2 LEU 121 -4.073 1.259 12.566 1016 HG LEU 121 HG LEU 121 -4.314 3.004 10.891 1017 HD11 LEU 121 HD11 LEU 121 -4.965 1.619 8.984 1018 HD12 LEU 121 HD12 LEU 121 -5.671 0.438 10.089 1019 HD13 LEU 121 HD13 LEU 121 -3.934 0.743 10.115 1020 HD21 LEU 121 HD21 LEU 121 -6.560 3.774 11.503 1021 HD22 LEU 121 HD22 LEU 121 -7.244 2.294 10.836 1022 HD23 LEU 121 HD23 LEU 121 -6.422 3.443 9.779 1023 H ASN 122 H ASN 122 -7.072 0.340 15.081 1024 HA ASN 122 HA ASN 122 -5.002 -1.481 16.037 1025 HB2 ASN 122 HB3 ASN 122 -5.774 0.293 17.558 1026 HB3 ASN 122 HB2 ASN 122 -7.421 -0.316 17.443 1027 HD21 ASN 122 HD22 ASN 122 -7.714 -0.837 19.539 1028 HD22 ASN 122 HD21 ASN 122 -6.822 -2.077 20.364 1029 H THR 123 H THR 123 -8.372 -1.414 15.095 1030 HA THR 123 HA THR 123 -8.862 -4.111 16.036 1031 HB THR 123 HB THR 123 -11.163 -3.750 15.383 1032 HG1 THR 123 HG1 THR 123 -11.787 -2.087 14.105 1033 HG21 THR 123 HG21 THR 123 -11.710 -1.776 16.698 1034 HG22 THR 123 HG22 THR 123 -10.044 -1.207 16.570 1035 HG23 THR 123 HG23 THR 123 -10.409 -2.680 17.474 1036 H LEU 124 H LEU 124 -8.332 -2.382 13.059 1037 HA LEU 124 HA LEU 124 -8.882 -4.501 11.250 1038 HB2 LEU 124 HB3 LEU 124 -8.471 -1.877 10.980 1039 HB3 LEU 124 HB2 LEU 124 -6.834 -2.408 10.667 1040 HG LEU 124 HG LEU 124 -9.254 -3.307 9.099 1041 HD11 LEU 124 HD11 LEU 124 -8.432 -1.823 7.349 1042 HD12 LEU 124 HD12 LEU 124 -7.133 -1.277 8.408 1043 HD13 LEU 124 HD13 LEU 124 -8.812 -0.919 8.814 1044 HD21 LEU 124 HD21 LEU 124 -6.303 -3.658 8.575 1045 HD22 LEU 124 HD22 LEU 124 -7.610 -4.150 7.499 1046 HD23 LEU 124 HD23 LEU 124 -7.423 -4.928 9.069 1047 H ARG 125 H ARG 125 -7.572 -6.183 10.594 1048 HA ARG 125 HA ARG 125 -5.273 -6.725 12.229 1049 HB2 ARG 125 HB3 ARG 125 -6.799 -8.542 11.617 1050 HB3 ARG 125 HB2 ARG 125 -6.405 -8.312 9.919 1051 HG2 ARG 125 HG3 ARG 125 -4.043 -8.871 10.447 1052 HG3 ARG 125 HG2 ARG 125 -4.544 -9.237 12.098 1053 HD2 ARG 125 HD3 ARG 125 -5.619 -10.588 9.627 1054 HD3 ARG 125 HD2 ARG 125 -4.349 -11.243 10.657 1055 HE ARG 125 HE ARG 125 -6.242 -10.945 12.455 1056 HH11 ARG 125 HH11 ARG 125 -6.464 -12.189 9.189 1057 HH12 ARG 125 HH12 ARG 125 -7.867 -13.158 9.506 1058 HH21 ARG 125 HH22 ARG 125 -8.049 -12.275 12.904 1059 HH22 ARG 125 HH21 ARG 125 -8.746 -13.228 11.635 1060 H LEU 126 H LEU 126 -3.898 -4.986 11.588 1061 HA LEU 126 HA LEU 126 -2.560 -5.466 9.019 1062 HB2 LEU 126 HB3 LEU 126 -2.325 -3.151 10.941 1063 HB3 LEU 126 HB2 LEU 126 -1.317 -3.351 9.523 1064 HG LEU 126 HG LEU 126 -3.706 -3.467 8.332 1065 HD11 LEU 126 HD11 LEU 126 -5.213 -1.833 9.332 1066 HD12 LEU 126 HD12 LEU 126 -4.148 -1.706 10.733 1067 HD13 LEU 126 HD13 LEU 126 -4.973 -3.227 10.387 1068 HD21 LEU 126 HD21 LEU 126 -3.440 -1.069 7.844 1069 HD22 LEU 126 HD22 LEU 126 -1.923 -1.960 7.716 1070 HD23 LEU 126 HD23 LEU 126 -2.240 -0.959 9.134 1071 H ILE 127 H ILE 127 -0.656 -6.405 8.939 1072 HA ILE 127 HA ILE 127 0.744 -6.931 11.480 1073 HB ILE 127 HB ILE 127 1.574 -9.029 10.374 1074 HG12 ILE 127 HG13 ILE 127 -0.580 -8.352 8.355 1075 HG13 ILE 127 HG12 ILE 127 1.152 -8.376 8.046 1076 HG21 ILE 127 HG21 ILE 127 -0.505 -10.295 10.745 1077 HG22 ILE 127 HG22 ILE 127 -1.408 -8.779 10.766 1078 HG23 ILE 127 HG23 ILE 127 -0.210 -9.109 12.016 1079 HD11 ILE 127 HD11 ILE 127 1.192 -10.777 8.469 1080 HD12 ILE 127 HD12 ILE 127 0.067 -10.363 7.176 1081 HD13 ILE 127 HD13 ILE 127 -0.543 -10.750 8.784 1082 H ARG 128 H ARG 128 3.073 -7.930 10.615 1083 HA ARG 128 HA ARG 128 4.243 -5.709 9.117 1084 HB2 ARG 128 HB3 ARG 128 5.449 -7.871 10.849 1085 HB3 ARG 128 HB2 ARG 128 6.419 -6.747 9.904 1086 HG2 ARG 128 HG3 ARG 128 5.800 -4.923 11.196 1087 HG3 ARG 128 HG2 ARG 128 4.363 -5.733 11.825 1088 HD2 ARG 128 HD3 ARG 128 7.191 -6.567 12.449 1089 HD3 ARG 128 HD2 ARG 128 6.230 -5.497 13.469 1090 HE ARG 128 HE ARG 128 4.914 -7.984 12.884 1091 HH11 ARG 128 HH11 ARG 128 7.167 -6.374 15.028 1092 HH12 ARG 128 HH12 ARG 128 6.936 -7.494 16.336 1093 HH21 ARG 128 HH22 ARG 128 4.573 -9.435 14.608 1094 HH22 ARG 128 HH21 ARG 128 5.452 -9.242 16.095 1095 H ILE 129 H ILE 129 4.407 -5.953 7.028 1096 HA ILE 129 HA ILE 129 4.709 -8.667 5.928 1097 HB ILE 129 HB ILE 129 3.158 -6.289 4.956 1098 HG12 ILE 129 HG13 ILE 129 2.497 -9.209 5.386 1099 HG13 ILE 129 HG12 ILE 129 2.004 -7.863 6.407 1100 HG21 ILE 129 HG21 ILE 129 2.763 -7.471 2.836 1101 HG22 ILE 129 HG22 ILE 129 3.985 -8.658 3.294 1102 HG23 ILE 129 HG23 ILE 129 4.444 -6.975 3.037 1103 HD11 ILE 129 HD11 ILE 129 0.643 -6.981 4.587 1104 HD12 ILE 129 HD12 ILE 129 0.176 -8.629 5.008 1105 HD13 ILE 129 HD13 ILE 129 1.139 -8.326 3.562 1106 H ASN 130 H ASN 130 6.329 -9.085 4.530 1107 HA ASN 130 HA ASN 130 8.229 -6.887 4.056 1108 HB2 ASN 130 HB3 ASN 130 8.949 -8.914 5.399 1109 HB3 ASN 130 HB2 ASN 130 8.811 -9.848 3.917 1110 HD21 ASN 130 HD22 ASN 130 11.128 -9.307 5.594 1111 HD22 ASN 130 HD21 ASN 130 12.300 -8.558 4.566 1112 H ASP 131 H ASP 131 7.807 -6.037 2.140 1113 HA ASP 131 HA ASP 131 8.041 -5.715 -0.070 1114 HB2 ASP 131 HB3 ASP 131 10.162 -7.051 0.569 1115 HB3 ASP 131 HB2 ASP 131 9.411 -8.365 -0.331 1116 H LYS 132 H LYS 132 7.836 -9.255 -0.392 1117 HA LYS 132 HA LYS 132 5.770 -8.825 -2.407 1118 HB2 LYS 132 HB3 LYS 132 7.642 -11.064 -1.780 1119 HB3 LYS 132 HB2 LYS 132 6.142 -11.444 -2.610 1120 HG2 LYS 132 HG3 LYS 132 7.758 -11.162 -4.289 1121 HG3 LYS 132 HG2 LYS 132 6.780 -9.695 -4.314 1122 HD2 LYS 132 HD3 LYS 132 8.514 -8.569 -2.952 1123 HD3 LYS 132 HD2 LYS 132 9.499 -10.031 -3.053 1124 HE2 LYS 132 HE3 LYS 132 9.505 -9.828 -5.508 1125 HE3 LYS 132 HE2 LYS 132 8.580 -8.333 -5.372 1126 HZ1 LYS 132 HZ1 LYS 132 10.652 -7.458 -5.460 1127 HZ2 LYS 132 HZ2 LYS 132 11.401 -8.834 -4.803 1128 HZ3 LYS 132 HZ3 LYS 132 10.601 -7.742 -3.788 1129 H GLY 133 H GLY 133 5.137 -8.585 0.454 1130 HA2 GLY 133 HA3 GLY 133 3.084 -8.925 1.500 1131 HA3 GLY 133 HA2 GLY 133 2.699 -10.133 0.287 1132 H GLU 134 H GLU 134 5.728 -10.448 1.855 1133 HA GLU 134 HA GLU 134 4.891 -13.016 2.854 1134 HB2 GLU 134 HB3 GLU 134 7.083 -12.617 1.709 1135 HB3 GLU 134 HB2 GLU 134 7.594 -11.701 3.120 1136 HG2 GLU 134 HG3 GLU 134 7.378 -13.671 4.511 1137 HG3 GLU 134 HG2 GLU 134 6.779 -14.598 3.136 1138 H GLN 135 H GLN 135 4.533 -13.610 4.863 1139 HA GLN 135 HA GLN 135 4.026 -11.794 6.934 1140 HB2 GLN 135 HB3 GLN 135 2.972 -13.979 6.812 1141 HB3 GLN 135 HB2 GLN 135 4.527 -14.774 6.994 1142 HG2 GLN 135 HG3 GLN 135 3.343 -14.896 9.064 1143 HG3 GLN 135 HG2 GLN 135 4.712 -13.804 9.259 1144 HE21 GLN 135 HE22 GLN 135 4.345 -11.637 9.617 1145 HE22 GLN 135 HE21 GLN 135 2.780 -11.001 9.980 1146 H VAL 136 H VAL 136 5.457 -10.639 8.067 1147 HA VAL 136 HA VAL 136 8.128 -11.704 8.582 1148 HB VAL 136 HB VAL 136 6.919 -9.032 9.336 1149 HG11 VAL 136 HG11 VAL 136 9.226 -8.358 9.846 1150 HG12 VAL 136 HG12 VAL 136 9.763 -10.013 9.554 1151 HG13 VAL 136 HG13 VAL 136 8.670 -9.664 10.893 1152 HG21 VAL 136 HG21 VAL 136 7.180 -9.265 6.941 1153 HG22 VAL 136 HG22 VAL 136 8.853 -9.782 7.153 1154 HG23 VAL 136 HG23 VAL 136 8.379 -8.136 7.576 1155 H VAL 137 H VAL 137 8.642 -12.705 10.417 1156 HA VAL 137 HA VAL 137 6.826 -12.393 12.717 1157 HB VAL 137 HB VAL 137 7.688 -14.588 13.518 1158 HG11 VAL 137 HG11 VAL 137 6.419 -15.962 11.921 1159 HG12 VAL 137 HG12 VAL 137 6.392 -14.605 10.794 1160 HG13 VAL 137 HG13 VAL 137 5.567 -14.479 12.348 1161 HG21 VAL 137 HG21 VAL 137 8.862 -16.054 11.942 1162 HG22 VAL 137 HG22 VAL 137 9.813 -14.621 12.329 1163 HG23 VAL 137 HG23 VAL 137 8.962 -14.725 10.788 1164 H GLY 138 H GLY 138 7.895 -12.557 14.859 1165 HA2 GLY 138 HA3 GLY 138 9.775 -12.232 16.256 1166 HA3 GLY 138 HA2 GLY 138 10.710 -11.753 14.845 1167 H GLY 139 H GLY 139 10.800 -9.632 14.255 1168 HA2 GLY 139 HA3 GLY 139 10.105 -7.389 14.189 1169 HA3 GLY 139 HA2 GLY 139 8.928 -7.736 15.448 1170 H ASN 140 H ASN 140 11.321 -9.133 16.848 1171 HA ASN 140 HA ASN 140 12.336 -6.680 18.109 1172 HB2 ASN 140 HB3 ASN 140 12.259 -9.532 19.126 1173 HB3 ASN 140 HB2 ASN 140 12.981 -8.185 19.995 1174 HD21 ASN 140 HD22 ASN 140 10.793 -9.935 20.761 1175 HD22 ASN 140 HD21 ASN 140 9.436 -8.900 21.065 1176 H GLU 141 H GLU 141 13.230 -8.184 15.610 1177 HA GLU 141 HA GLU 141 16.002 -8.781 16.403 1178 HB2 GLU 141 HB3 GLU 141 14.552 -9.617 13.885 1179 HB3 GLU 141 HB2 GLU 141 16.151 -10.138 14.397 1180 HG2 GLU 141 HG3 GLU 141 15.195 -11.310 16.288 1181 HG3 GLU 141 HG2 GLU 141 13.586 -10.729 15.855
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