NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
546830 | 2lic | 17888 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 1 H1 GLU 1 16.414 -1.803 -9.626 2 H2 GLU 1 H2 GLU 1 18.008 -2.243 -9.272 3 H3 GLU 1 H3 GLU 1 17.604 -0.612 -9.450 4 HA GLU 1 HA GLU 1 16.298 -0.618 -7.491 5 HB2 GLU 1 HB2 GLU 1 16.012 -2.612 -6.130 6 HB3 GLU 1 HB3 GLU 1 15.406 -2.903 -7.753 7 HG2 GLU 1 HG2 GLU 1 18.134 -3.756 -6.825 8 HG3 GLU 1 HG3 GLU 1 16.703 -4.781 -6.733 9 H LYS 2 HN LYS 2 19.339 -1.247 -8.515 10 HA LYS 2 HA LYS 2 20.628 -1.368 -5.923 11 HB2 LYS 2 HB2 LYS 2 21.776 -1.106 -8.707 12 HB3 LYS 2 HB3 LYS 2 22.730 -1.302 -7.242 13 HG2 LYS 2 HG2 LYS 2 21.593 -3.469 -6.853 14 HG3 LYS 2 HG3 LYS 2 20.778 -3.276 -8.406 15 HD2 LYS 2 HD2 LYS 2 22.935 -3.228 -9.542 16 HD3 LYS 2 HD3 LYS 2 23.766 -3.382 -7.992 17 HE2 LYS 2 HE2 LYS 2 21.915 -5.400 -9.257 18 HE3 LYS 2 HE3 LYS 2 23.665 -5.535 -9.096 19 HZ1 LYS 2 HZ1 LYS 2 22.569 -6.816 -7.393 20 HZ2 LYS 2 HZ2 LYS 2 21.705 -5.462 -6.868 21 HZ3 LYS 2 HZ3 LYS 2 23.384 -5.516 -6.677 22 H LEU 3 HN LEU 3 21.008 0.358 -4.735 23 HA LEU 3 HA LEU 3 22.100 2.754 -5.776 24 HB2 LEU 3 HB2 LEU 3 19.625 2.900 -6.350 25 HB3 LEU 3 HB3 LEU 3 19.334 3.021 -4.628 26 HG LEU 3 HG LEU 3 20.922 5.042 -4.689 27 HD11 LEU 3 HD11 LEU 3 20.228 4.852 -7.615 28 HD12 LEU 3 HD12 LEU 3 21.043 6.203 -6.825 29 HD13 LEU 3 HD13 LEU 3 21.831 4.629 -6.918 30 HD21 LEU 3 HD21 LEU 3 19.097 6.526 -5.270 31 HD22 LEU 3 HD22 LEU 3 18.256 5.205 -6.082 32 HD23 LEU 3 HD23 LEU 3 18.498 5.154 -4.336 33 H LYS 4 HN LYS 4 22.245 0.649 -3.695 34 HA LYS 4 HA LYS 4 22.737 0.357 -1.481 35 HB2 LYS 4 HB2 LYS 4 23.922 3.107 -1.876 36 HB3 LYS 4 HB3 LYS 4 24.348 1.978 -0.599 37 HG2 LYS 4 HG2 LYS 4 24.685 1.366 -3.522 38 HG3 LYS 4 HG3 LYS 4 25.946 2.083 -2.522 39 HD2 LYS 4 HD2 LYS 4 25.942 0.147 -1.067 40 HD3 LYS 4 HD3 LYS 4 24.595 -0.555 -1.964 41 HE2 LYS 4 HE2 LYS 4 27.332 0.034 -3.086 42 HE3 LYS 4 HE3 LYS 4 26.758 -1.554 -2.581 43 HZ1 LYS 4 HZ1 LYS 4 26.569 -1.260 -4.970 44 HZ2 LYS 4 HZ2 LYS 4 25.582 0.098 -4.754 45 HZ3 LYS 4 HZ3 LYS 4 25.037 -1.430 -4.271 46 H GLN 5 HN GLN 5 20.703 0.320 -0.536 47 HA GLN 5 HA GLN 5 19.546 2.831 0.388 48 HB2 GLN 5 HB2 GLN 5 18.510 0.005 0.677 49 HB3 GLN 5 HB3 GLN 5 17.624 1.477 1.058 50 HG2 GLN 5 HG2 GLN 5 17.741 2.138 -1.303 51 HG3 GLN 5 HG3 GLN 5 18.574 0.626 -1.669 52 HE21 GLN 5 HE21 GLN 5 17.429 -1.313 -1.591 53 HE22 GLN 5 HE22 GLN 5 15.702 -1.359 -1.604 54 H ASP 6 HN ASP 6 18.437 2.484 2.691 55 HA ASP 6 HA ASP 6 18.784 2.535 4.933 56 HB2 ASP 6 HB2 ASP 6 20.471 0.088 4.365 57 HB3 ASP 6 HB3 ASP 6 19.848 0.566 5.938 58 H ILE 7 HN ILE 7 19.940 4.516 4.802 59 HA ILE 7 HA ILE 7 22.798 4.210 5.418 60 HB ILE 7 HB ILE 7 21.583 6.456 3.808 61 HG12 ILE 7 HG12 ILE 7 21.743 4.364 2.523 62 HG13 ILE 7 HG13 ILE 7 22.880 5.569 1.930 63 HG21 ILE 7 HG21 ILE 7 24.438 5.926 4.620 64 HG22 ILE 7 HG22 ILE 7 23.920 7.181 3.494 65 HG23 ILE 7 HG23 ILE 7 23.408 7.245 5.181 66 HD11 ILE 7 HD11 ILE 7 23.853 3.326 2.010 67 HD12 ILE 7 HD12 ILE 7 24.699 4.451 3.072 68 HD13 ILE 7 HD13 ILE 7 23.574 3.276 3.751 69 H LEU 8 HN LEU 8 20.060 6.462 5.585 70 HA LEU 8 HA LEU 8 20.704 7.016 8.368 71 HB2 LEU 8 HB2 LEU 8 21.755 8.704 6.644 72 HB3 LEU 8 HB3 LEU 8 20.123 9.346 6.591 73 HG LEU 8 HG LEU 8 20.219 9.671 9.058 74 HD11 LEU 8 HD11 LEU 8 22.312 9.497 10.218 75 HD12 LEU 8 HD12 LEU 8 21.955 7.945 9.461 76 HD13 LEU 8 HD13 LEU 8 23.143 9.026 8.735 77 HD21 LEU 8 HD21 LEU 8 21.711 11.617 8.976 78 HD22 LEU 8 HD22 LEU 8 22.372 11.037 7.446 79 HD23 LEU 8 HD23 LEU 8 20.678 11.520 7.550 80 H ASN 9 HN ASN 9 18.505 6.407 5.952 81 HA ASN 9 HA ASN 9 16.261 7.766 7.213 82 HB2 ASN 9 HB2 ASN 9 16.375 5.972 4.779 83 HB3 ASN 9 HB3 ASN 9 14.944 6.833 5.337 84 HD21 ASN 9 HD21 ASN 9 18.034 7.097 3.801 85 HD22 ASN 9 HD22 ASN 9 17.856 8.727 3.257 86 H LEU 10 HN LEU 10 17.814 4.725 7.287 87 HA LEU 10 HA LEU 10 17.381 2.767 8.357 88 HB2 LEU 10 HB2 LEU 10 17.071 4.285 10.277 89 HB3 LEU 10 HB3 LEU 10 15.372 4.436 9.873 90 HG LEU 10 HG LEU 10 15.174 1.941 10.228 91 HD11 LEU 10 HD11 LEU 10 17.540 1.390 10.016 92 HD12 LEU 10 HD12 LEU 10 17.892 2.320 11.471 93 HD13 LEU 10 HD13 LEU 10 16.901 0.866 11.573 94 HD21 LEU 10 HD21 LEU 10 14.385 3.544 11.876 95 HD22 LEU 10 HD22 LEU 10 15.096 2.140 12.669 96 HD23 LEU 10 HD23 LEU 10 16.003 3.651 12.570 97 H ARG 11 HN ARG 11 16.562 1.677 6.590 98 HA ARG 11 HA ARG 11 15.069 0.419 5.439 99 HB2 ARG 11 HB2 ARG 11 13.268 1.085 7.768 100 HB3 ARG 11 HB3 ARG 11 12.861 -0.065 6.503 101 HG2 ARG 11 HG2 ARG 11 14.843 -1.395 7.123 102 HG3 ARG 11 HG3 ARG 11 15.150 -0.265 8.445 103 HD2 ARG 11 HD2 ARG 11 12.626 -1.877 8.098 104 HD3 ARG 11 HD3 ARG 11 13.959 -2.311 9.166 105 HE ARG 11 HE ARG 11 13.235 0.236 9.897 106 HH11 ARG 11 HH12 ARG 11 11.639 -2.853 9.673 107 HH12 ARG 11 HH11 ARG 11 10.546 -2.527 10.976 108 HH21 ARG 11 HH22 ARG 11 11.802 0.674 11.613 109 HH22 ARG 11 HH21 ARG 11 10.641 -0.521 12.080 110 H THR 12 HN THR 12 13.453 0.607 3.885 111 HA THR 12 HA THR 12 12.360 1.742 2.243 112 HB THR 12 HB THR 12 10.454 3.104 2.963 113 HG1 THR 12 HG1 THR 12 10.319 3.905 4.948 114 HG21 THR 12 HG21 THR 12 9.327 1.406 4.347 115 HG22 THR 12 HG22 THR 12 10.885 0.634 4.645 116 HG23 THR 12 HG23 THR 12 10.223 0.684 3.012 117 H ASP 13 HN ASP 13 14.034 2.858 1.266 118 HA ASP 13 HA ASP 13 14.788 5.482 2.237 119 HB2 ASP 13 HB2 ASP 13 16.498 3.988 1.292 120 HB3 ASP 13 HB3 ASP 13 15.648 3.988 -0.252 121 H ILE 14 HN ILE 14 13.252 6.990 1.942 122 HA ILE 14 HA ILE 14 11.815 8.424 0.916 123 HB ILE 14 HB ILE 14 13.306 7.642 -1.594 124 HG12 ILE 14 HG12 ILE 14 13.799 9.938 0.318 125 HG13 ILE 14 HG13 ILE 14 14.772 8.474 0.233 126 HG21 ILE 14 HG21 ILE 14 11.185 8.767 -2.046 127 HG22 ILE 14 HG22 ILE 14 11.652 10.088 -0.976 128 HG23 ILE 14 HG23 ILE 14 12.554 9.796 -2.462 129 HD11 ILE 14 HD11 ILE 14 15.880 10.258 -0.931 130 HD12 ILE 14 HD12 ILE 14 15.352 9.042 -2.096 131 HD13 ILE 14 HD13 ILE 14 14.450 10.548 -1.923 132 H SER 15 HN SER 15 9.883 7.371 1.224 133 HA SER 15 HA SER 15 8.934 5.716 -1.023 134 HB2 SER 15 HB2 SER 15 7.435 4.591 0.586 135 HB3 SER 15 HB3 SER 15 9.129 4.400 1.036 136 HG SER 15 HG SER 15 8.553 6.475 2.315 137 H THR 16 HN THR 16 7.092 6.308 -2.026 138 HA THR 16 HA THR 16 6.044 8.905 -1.606 139 HB THR 16 HB THR 16 4.404 8.358 -3.331 140 HG1 THR 16 HG1 THR 16 5.262 5.860 -3.933 141 HG21 THR 16 HG21 THR 16 5.936 7.805 -5.146 142 HG22 THR 16 HG22 THR 16 7.124 7.216 -3.983 143 HG23 THR 16 HG23 THR 16 6.697 8.927 -4.018 144 H SER 17 HN SER 17 5.161 5.758 -0.440 145 HA SER 17 HA SER 17 2.489 6.194 0.250 146 HB2 SER 17 HB2 SER 17 2.807 4.361 1.883 147 HB3 SER 17 HB3 SER 17 3.505 3.970 0.312 148 HG SER 17 HG SER 17 4.723 4.280 2.740 149 H SEP 18 HN SER 18 1.681 7.731 1.508 150 HA SEP 18 HA SER 18 2.757 8.180 4.144 151 HB2 SEP 18 HB2 SER 18 3.040 10.621 3.851 152 HB3 SEP 18 HB3 SER 18 4.165 9.702 2.853 153 H SER 19 HN SER 19 0.641 9.831 1.782 154 HA SER 19 HA SER 19 -1.616 9.410 3.594 155 HB2 SER 19 HB2 SER 19 -0.915 12.115 2.438 156 HB3 SER 19 HB3 SER 19 -2.325 11.740 3.426 157 HG SER 19 HG SER 19 -1.047 11.481 5.177 158 H SER 20 HN SER 20 -0.754 8.338 0.965 159 HA SER 20 HA SER 20 -2.840 9.383 -0.805 160 HB2 SER 20 HB2 SER 20 -0.583 7.445 -1.366 161 HB3 SER 20 HB3 SER 20 -1.734 8.040 -2.562 162 HG SER 20 HG SER 20 0.305 9.192 -2.475 163 H ILE 21 HN ILE 21 -4.541 8.177 -1.525 164 HA ILE 21 HA ILE 21 -4.735 5.355 -0.879 165 HB ILE 21 HB ILE 21 -5.550 6.412 1.180 166 HG12 ILE 21 HG12 ILE 21 -7.837 5.372 1.207 167 HG13 ILE 21 HG13 ILE 21 -7.686 5.119 -0.529 168 HG21 ILE 21 HG21 ILE 21 -6.278 8.538 0.270 169 HG22 ILE 21 HG22 ILE 21 -7.583 7.739 -0.606 170 HG23 ILE 21 HG23 ILE 21 -7.593 7.770 1.158 171 HD11 ILE 21 HD11 ILE 21 -5.925 3.931 1.602 172 HD12 ILE 21 HD12 ILE 21 -7.172 3.091 0.679 173 HD13 ILE 21 HD13 ILE 21 -5.729 3.698 -0.136 174 H SER 22 HN SER 22 -6.190 4.257 -2.180 175 HA SER 22 HA SER 22 -8.140 5.615 -3.777 176 HB2 SER 22 HB2 SER 22 -6.148 6.214 -5.060 177 HB3 SER 22 HB3 SER 22 -5.675 4.518 -5.151 178 HG SER 22 HG SER 22 -8.226 4.983 -6.026 179 H SER 23 HN SER 23 -9.759 4.224 -3.619 180 HA SER 23 HA SER 23 -10.987 2.314 -3.634 181 HB2 SER 23 HB2 SER 23 -8.782 1.358 -5.474 182 HB3 SER 23 HB3 SER 23 -10.356 0.586 -5.279 183 HG SER 23 HG SER 23 -9.988 2.194 -7.080 184 H SER 24 HN SER 24 -8.487 2.614 -1.821 185 HA SER 24 HA SER 24 -7.448 1.434 -0.176 186 HB2 SER 24 HB2 SER 24 -9.802 1.070 0.500 187 HB3 SER 24 HB3 SER 24 -9.839 -0.402 -0.473 188 HG SER 24 HG SER 24 -7.727 -0.570 1.094 189 H GLU 25 HN GLU 25 -6.780 0.802 -2.940 190 HA GLU 25 HA GLU 25 -5.485 -0.645 -4.119 191 HB2 GLU 25 HB2 GLU 25 -5.025 -1.874 -1.395 192 HB3 GLU 25 HB3 GLU 25 -4.099 -2.254 -2.839 193 HG2 GLU 25 HG2 GLU 25 -3.266 0.004 -2.952 194 HG3 GLU 25 HG3 GLU 25 -4.279 0.478 -1.588 195 H GLU 26 HN GLU 26 -5.067 -3.221 -4.314 196 HA GLU 26 HA GLU 26 -7.763 -4.401 -4.392 197 HB2 GLU 26 HB2 GLU 26 -5.355 -5.013 -6.113 198 HB3 GLU 26 HB3 GLU 26 -6.923 -5.798 -6.242 199 HG2 GLU 26 HG2 GLU 26 -6.344 -2.885 -6.731 200 HG3 GLU 26 HG3 GLU 26 -6.651 -4.113 -7.960 201 H ASN 27 HN ASN 27 -5.016 -4.515 -2.624 202 HA ASN 27 HA ASN 27 -5.176 -7.416 -2.166 203 HB2 ASN 27 HB2 ASN 27 -2.993 -5.438 -1.481 204 HB3 ASN 27 HB3 ASN 27 -2.974 -7.135 -1.016 205 HD21 ASN 27 HD21 ASN 27 -1.118 -5.655 -2.687 206 HD22 ASN 27 HD22 ASN 27 -1.092 -6.461 -4.214 207 H ASP 28 HN ASP 28 -6.880 -7.562 -0.760 208 HA ASP 28 HA ASP 28 -6.342 -6.878 1.971 209 HB2 ASP 28 HB2 ASP 28 -8.383 -5.526 2.318 210 HB3 ASP 28 HB3 ASP 28 -7.237 -4.735 1.239 211 H PHE 29 HN PHE 29 -7.006 -9.189 0.184 212 HA PHE 29 HA PHE 29 -8.561 -10.668 1.986 213 HB2 PHE 29 HB2 PHE 29 -10.405 -9.270 1.031 214 HB3 PHE 29 HB3 PHE 29 -10.054 -9.961 -0.550 215 HD1 PHE 29 HD2 PHE 29 -11.064 -10.869 2.905 216 HD2 PHE 29 HD1 PHE 29 -11.021 -11.970 -1.205 217 HE1 PHE 29 HE2 PHE 29 -12.562 -12.755 3.400 218 HE2 PHE 29 HE1 PHE 29 -12.519 -13.860 -0.718 219 HZ PHE 29 HZ PHE 29 -13.293 -14.252 1.595 220 H TRP 30 HN TRP 30 -6.566 -11.782 1.505 221 HA TRP 30 HA TRP 30 -5.448 -13.547 0.658 222 HB2 TRP 30 HB2 TRP 30 -7.986 -13.962 -0.922 223 HB3 TRP 30 HB3 TRP 30 -6.629 -15.084 -0.914 224 HD1 TRP 30 HD1 TRP 30 -9.715 -14.194 0.947 225 HE1 TRP 30 HE1 TRP 30 -9.938 -15.661 3.056 226 HE3 TRP 30 HE3 TRP 30 -5.040 -16.230 0.994 227 HZ2 TRP 30 HZ2 TRP 30 -8.328 -17.447 4.540 228 HZ3 TRP 30 HZ3 TRP 30 -4.452 -17.806 2.789 229 HH2 TRP 30 HH2 TRP 30 -6.063 -18.401 4.526 230 H GLN 31 HN GLN 31 -3.872 -13.612 -0.738 231 HA GLN 31 HA GLN 31 -4.121 -12.026 -3.197 232 HB2 GLN 31 HB2 GLN 31 -1.616 -12.627 -1.614 233 HB3 GLN 31 HB3 GLN 31 -1.705 -11.639 -3.065 234 HG2 GLN 31 HG2 GLN 31 -2.933 -9.952 -1.948 235 HG3 GLN 31 HG3 GLN 31 -3.198 -10.982 -0.541 236 HE21 GLN 31 HE21 GLN 31 -1.993 -8.335 -0.709 237 HE22 GLN 31 HE22 GLN 31 -0.406 -8.487 -0.047 238 HA PRO 32 HA PRO 32 -3.485 -16.431 -4.503 239 HB2 PRO 32 HB2 PRO 32 -5.309 -15.754 -6.680 240 HB3 PRO 32 HB3 PRO 32 -5.459 -17.011 -5.450 241 HG2 PRO 32 HG2 PRO 32 -7.045 -14.818 -5.503 242 HG3 PRO 32 HG3 PRO 32 -6.590 -15.640 -3.997 243 HD2 PRO 32 HD2 PRO 32 -5.472 -13.136 -5.204 244 HD3 PRO 32 HD3 PRO 32 -5.842 -13.506 -3.507 245 H LYS 33 HN LYS 33 -1.529 -16.515 -5.428 246 HA LYS 33 HA LYS 33 -0.946 -14.827 -7.743 247 HB2 LYS 33 HB2 LYS 33 1.385 -15.535 -7.403 248 HB3 LYS 33 HB3 LYS 33 0.701 -14.836 -5.942 249 HG2 LYS 33 HG2 LYS 33 0.196 -17.266 -5.268 250 HG3 LYS 33 HG3 LYS 33 1.344 -17.697 -6.534 251 HD2 LYS 33 HD2 LYS 33 3.059 -16.345 -5.458 252 HD3 LYS 33 HD3 LYS 33 1.907 -15.861 -4.211 253 HE2 LYS 33 HE2 LYS 33 1.683 -18.209 -3.526 254 HE3 LYS 33 HE3 LYS 33 2.865 -18.670 -4.752 255 HZ1 LYS 33 HZ1 LYS 33 4.528 -17.365 -3.626 256 HZ2 LYS 33 HZ2 LYS 33 3.844 -18.459 -2.533 257 HZ3 LYS 33 HZ3 LYS 33 3.400 -16.828 -2.484 258 HA PRO 34 HA PRO 34 -1.393 -17.989 -10.784 259 HB2 PRO 34 HB2 PRO 34 0.962 -17.702 -12.214 260 HB3 PRO 34 HB3 PRO 34 -0.491 -16.726 -12.449 261 HG2 PRO 34 HG2 PRO 34 1.982 -16.104 -10.888 262 HG3 PRO 34 HG3 PRO 34 1.010 -15.039 -11.924 263 HD2 PRO 34 HD2 PRO 34 0.822 -14.932 -9.256 264 HD3 PRO 34 HD3 PRO 34 -0.611 -14.727 -10.288 265 H THR 35 HN THR 35 -1.282 -19.903 -9.672 266 HA THR 35 HA THR 35 1.078 -20.974 -8.541 267 HB THR 35 HB THR 35 -1.386 -22.501 -9.404 268 HG1 THR 35 HG1 THR 35 -1.386 -22.054 -6.802 269 HG21 THR 35 HG21 THR 35 0.715 -23.103 -7.317 270 HG22 THR 35 HG22 THR 35 0.538 -23.921 -8.870 271 HG23 THR 35 HG23 THR 35 -0.721 -24.074 -7.644 Start of MODEL 2 1 H1 GLU 1 H1 GLU 1 25.798 3.386 -0.795 2 H2 GLU 1 H2 GLU 1 26.278 1.772 -0.636 3 H3 GLU 1 H3 GLU 1 27.384 2.933 -1.175 4 HA GLU 1 HA GLU 1 27.838 2.383 1.103 5 HB2 GLU 1 HB2 GLU 1 26.568 5.114 0.814 6 HB3 GLU 1 HB3 GLU 1 27.711 4.644 2.065 7 HG2 GLU 1 HG2 GLU 1 29.428 4.285 0.383 8 HG3 GLU 1 HG3 GLU 1 28.284 4.710 -0.890 9 H LYS 2 HN LYS 2 26.980 3.273 3.392 10 HA LYS 2 HA LYS 2 24.586 1.744 3.877 11 HB2 LYS 2 HB2 LYS 2 25.026 2.307 6.264 12 HB3 LYS 2 HB3 LYS 2 26.381 1.528 5.458 13 HG2 LYS 2 HG2 LYS 2 27.410 3.755 5.138 14 HG3 LYS 2 HG3 LYS 2 26.091 4.459 6.074 15 HD2 LYS 2 HD2 LYS 2 26.719 3.077 7.996 16 HD3 LYS 2 HD3 LYS 2 28.039 2.375 7.058 17 HE2 LYS 2 HE2 LYS 2 27.729 5.270 7.847 18 HE3 LYS 2 HE3 LYS 2 28.884 4.118 8.516 19 HZ1 LYS 2 HZ1 LYS 2 28.808 5.051 5.697 20 HZ2 LYS 2 HZ2 LYS 2 29.918 3.948 6.338 21 HZ3 LYS 2 HZ3 LYS 2 29.916 5.552 6.873 22 H LEU 3 HN LEU 3 25.215 4.929 3.050 23 HA LEU 3 HA LEU 3 23.005 6.070 4.524 24 HB2 LEU 3 HB2 LEU 3 24.943 7.229 2.533 25 HB3 LEU 3 HB3 LEU 3 23.610 8.145 3.207 26 HG LEU 3 HG LEU 3 24.612 7.596 5.502 27 HD11 LEU 3 HD11 LEU 3 26.118 5.827 4.776 28 HD12 LEU 3 HD12 LEU 3 26.994 6.973 3.762 29 HD13 LEU 3 HD13 LEU 3 27.014 7.153 5.517 30 HD21 LEU 3 HD21 LEU 3 26.128 9.371 3.594 31 HD22 LEU 3 HD22 LEU 3 24.676 9.813 4.491 32 HD23 LEU 3 HD23 LEU 3 26.174 9.468 5.354 33 H LYS 4 HN LYS 4 21.754 7.752 2.928 34 HA LYS 4 HA LYS 4 19.944 7.860 1.553 35 HB2 LYS 4 HB2 LYS 4 21.646 6.303 -0.384 36 HB3 LYS 4 HB3 LYS 4 20.418 7.508 -0.747 37 HG2 LYS 4 HG2 LYS 4 23.048 8.050 0.616 38 HG3 LYS 4 HG3 LYS 4 22.682 8.367 -1.078 39 HD2 LYS 4 HD2 LYS 4 20.945 9.946 -0.424 40 HD3 LYS 4 HD3 LYS 4 21.263 9.606 1.278 41 HE2 LYS 4 HE2 LYS 4 22.339 11.680 0.595 42 HE3 LYS 4 HE3 LYS 4 23.541 10.463 1.021 43 HZ1 LYS 4 HZ1 LYS 4 22.709 11.199 -1.735 44 HZ2 LYS 4 HZ2 LYS 4 23.837 10.001 -1.342 45 HZ3 LYS 4 HZ3 LYS 4 24.168 11.622 -0.989 46 H GLN 5 HN GLN 5 19.070 6.186 3.175 47 HA GLN 5 HA GLN 5 17.780 4.364 3.602 48 HB2 GLN 5 HB2 GLN 5 17.408 4.362 0.602 49 HB3 GLN 5 HB3 GLN 5 16.375 3.551 1.769 50 HG2 GLN 5 HG2 GLN 5 16.773 6.519 1.476 51 HG3 GLN 5 HG3 GLN 5 15.342 5.594 1.027 52 HE21 GLN 5 HE21 GLN 5 15.495 3.901 3.405 53 HE22 GLN 5 HE22 GLN 5 14.956 4.878 4.722 54 H ASP 6 HN ASP 6 17.286 2.007 2.274 55 HA ASP 6 HA ASP 6 19.966 0.789 2.193 56 HB2 ASP 6 HB2 ASP 6 17.322 -0.479 2.943 57 HB3 ASP 6 HB3 ASP 6 18.881 -1.299 2.924 58 H ILE 7 HN ILE 7 20.583 0.405 0.173 59 HA ILE 7 HA ILE 7 18.580 -0.319 -1.841 60 HB ILE 7 HB ILE 7 21.482 0.189 -2.438 61 HG12 ILE 7 HG12 ILE 7 19.337 2.318 -2.256 62 HG13 ILE 7 HG13 ILE 7 20.597 2.075 -1.050 63 HG21 ILE 7 HG21 ILE 7 20.550 0.956 -4.591 64 HG22 ILE 7 HG22 ILE 7 20.126 -0.717 -4.230 65 HG23 ILE 7 HG23 ILE 7 18.933 0.563 -4.009 66 HD11 ILE 7 HD11 ILE 7 22.295 2.585 -2.722 67 HD12 ILE 7 HD12 ILE 7 21.034 2.820 -3.933 68 HD13 ILE 7 HD13 ILE 7 21.140 3.906 -2.547 69 H LEU 8 HN LEU 8 19.698 -2.112 0.300 70 HA LEU 8 HA LEU 8 21.019 -4.132 -1.369 71 HB2 LEU 8 HB2 LEU 8 20.838 -3.808 1.621 72 HB3 LEU 8 HB3 LEU 8 21.474 -5.251 0.856 73 HG LEU 8 HG LEU 8 23.215 -3.807 -0.240 74 HD11 LEU 8 HD11 LEU 8 22.149 -1.658 -0.123 75 HD12 LEU 8 HD12 LEU 8 22.078 -1.742 1.636 76 HD13 LEU 8 HD13 LEU 8 23.636 -1.606 0.823 77 HD21 LEU 8 HD21 LEU 8 23.138 -3.841 2.772 78 HD22 LEU 8 HD22 LEU 8 23.710 -5.144 1.731 79 HD23 LEU 8 HD23 LEU 8 24.579 -3.611 1.782 80 H ASN 9 HN ASN 9 18.086 -3.338 0.098 81 HA ASN 9 HA ASN 9 17.055 -6.039 -0.418 82 HB2 ASN 9 HB2 ASN 9 15.471 -5.712 1.474 83 HB3 ASN 9 HB3 ASN 9 17.156 -5.763 1.984 84 HD21 ASN 9 HD21 ASN 9 14.330 -3.800 1.610 85 HD22 ASN 9 HD22 ASN 9 14.905 -2.437 2.502 86 H LEU 10 HN LEU 10 16.477 -2.580 -0.434 87 HA LEU 10 HA LEU 10 14.320 -3.011 -2.368 88 HB2 LEU 10 HB2 LEU 10 14.149 -1.327 0.119 89 HB3 LEU 10 HB3 LEU 10 13.089 -1.076 -1.253 90 HG LEU 10 HG LEU 10 13.291 -3.666 0.287 91 HD11 LEU 10 HD11 LEU 10 11.244 -1.458 0.445 92 HD12 LEU 10 HD12 LEU 10 11.095 -3.042 1.205 93 HD13 LEU 10 HD13 LEU 10 12.374 -1.937 1.710 94 HD21 LEU 10 HD21 LEU 10 11.220 -4.222 -0.910 95 HD22 LEU 10 HD22 LEU 10 11.352 -2.717 -1.819 96 HD23 LEU 10 HD23 LEU 10 12.576 -3.973 -2.012 97 H ARG 11 HN ARG 11 14.958 -2.054 -4.161 98 HA ARG 11 HA ARG 11 16.976 -0.117 -4.343 99 HB2 ARG 11 HB2 ARG 11 14.791 -0.789 -6.323 100 HB3 ARG 11 HB3 ARG 11 16.238 0.140 -6.688 101 HG2 ARG 11 HG2 ARG 11 17.635 -1.767 -6.257 102 HG3 ARG 11 HG3 ARG 11 16.245 -2.708 -5.711 103 HD2 ARG 11 HD2 ARG 11 16.898 -3.289 -8.000 104 HD3 ARG 11 HD3 ARG 11 15.275 -2.607 -7.934 105 HE ARG 11 HE ARG 11 17.234 -0.613 -8.476 106 HH11 ARG 11 HH12 ARG 11 15.400 -3.193 -9.933 107 HH12 ARG 11 HH11 ARG 11 15.465 -2.514 -11.525 108 HH21 ARG 11 HH22 ARG 11 17.326 0.286 -10.572 109 HH22 ARG 11 HH21 ARG 11 16.561 -0.540 -11.888 110 H THR 12 HN THR 12 16.832 1.822 -3.435 111 HA THR 12 HA THR 12 16.037 3.833 -2.727 112 HB THR 12 HB THR 12 14.864 5.187 -4.443 113 HG1 THR 12 HG1 THR 12 15.073 2.904 -6.122 114 HG21 THR 12 HG21 THR 12 17.218 3.599 -5.470 115 HG22 THR 12 HG22 THR 12 17.302 5.034 -4.448 116 HG23 THR 12 HG23 THR 12 16.677 5.158 -6.093 117 H ASP 13 HN ASP 13 14.765 3.235 -0.990 118 HA ASP 13 HA ASP 13 11.865 3.201 -1.516 119 HB2 ASP 13 HB2 ASP 13 12.661 1.001 -0.745 120 HB3 ASP 13 HB3 ASP 13 13.342 1.754 0.694 121 H ILE 14 HN ILE 14 11.136 5.159 -0.976 122 HA ILE 14 HA ILE 14 12.295 6.585 1.292 123 HB ILE 14 HB ILE 14 10.167 7.522 -0.638 124 HG12 ILE 14 HG12 ILE 14 13.138 8.103 -0.651 125 HG13 ILE 14 HG13 ILE 14 12.329 6.990 -1.749 126 HG21 ILE 14 HG21 ILE 14 10.779 9.762 0.174 127 HG22 ILE 14 HG22 ILE 14 10.140 8.735 1.458 128 HG23 ILE 14 HG23 ILE 14 11.877 9.024 1.340 129 HD11 ILE 14 HD11 ILE 14 11.016 8.839 -2.652 130 HD12 ILE 14 HD12 ILE 14 11.836 9.952 -1.556 131 HD13 ILE 14 HD13 ILE 14 12.750 9.123 -2.817 132 H SER 15 HN SER 15 9.408 4.899 0.349 133 HA SER 15 HA SER 15 7.519 4.302 1.454 134 HB2 SER 15 HB2 SER 15 9.064 3.362 3.091 135 HB3 SER 15 HB3 SER 15 9.203 4.927 3.892 136 HG SER 15 HG SER 15 7.217 4.710 4.703 137 H THR 16 HN THR 16 6.248 5.982 0.675 138 HA THR 16 HA THR 16 5.437 7.906 2.713 139 HB THR 16 HB THR 16 5.323 9.738 1.001 140 HG1 THR 16 HG1 THR 16 6.587 7.738 -0.516 141 HG21 THR 16 HG21 THR 16 8.079 8.653 1.597 142 HG22 THR 16 HG22 THR 16 7.116 9.679 2.662 143 HG23 THR 16 HG23 THR 16 7.704 10.310 1.122 144 H SER 17 HN SER 17 4.855 6.830 -0.629 145 HA SER 17 HA SER 17 2.964 6.310 -1.767 146 HB2 SER 17 HB2 SER 17 1.932 5.797 1.028 147 HB3 SER 17 HB3 SER 17 1.063 5.361 -0.443 148 HG SER 17 HG SER 17 3.552 4.441 -0.630 149 H SEP 18 HN SER 18 0.541 6.862 -1.969 150 HA SEP 18 HA SER 18 -0.448 9.210 -0.724 151 HB2 SEP 18 HB2 SER 18 -0.326 10.751 -2.627 152 HB3 SEP 18 HB3 SER 18 1.293 10.271 -2.121 153 H SER 19 HN SER 19 -2.523 8.641 -0.636 154 HA SER 19 HA SER 19 -3.978 8.133 -3.082 155 HB2 SER 19 HB2 SER 19 -3.240 5.883 -2.571 156 HB3 SER 19 HB3 SER 19 -3.811 6.035 -0.909 157 HG SER 19 HG SER 19 -5.202 5.466 -3.202 158 H SER 20 HN SER 20 -4.202 7.955 0.468 159 HA SER 20 HA SER 20 -5.706 8.791 1.950 160 HB2 SER 20 HB2 SER 20 -5.156 10.952 0.924 161 HB3 SER 20 HB3 SER 20 -6.380 10.686 -0.316 162 HG SER 20 HG SER 20 -6.764 11.889 1.916 163 H ILE 21 HN ILE 21 -8.175 9.362 2.162 164 HA ILE 21 HA ILE 21 -10.321 8.615 2.074 165 HB ILE 21 HB ILE 21 -9.718 7.857 -0.786 166 HG12 ILE 21 HG12 ILE 21 -10.823 10.460 0.292 167 HG13 ILE 21 HG13 ILE 21 -9.165 10.232 -0.250 168 HG21 ILE 21 HG21 ILE 21 -12.327 8.509 0.581 169 HG22 ILE 21 HG22 ILE 21 -12.116 8.096 -1.121 170 HG23 ILE 21 HG23 ILE 21 -11.780 6.894 0.127 171 HD11 ILE 21 HD11 ILE 21 -11.639 9.984 -1.943 172 HD12 ILE 21 HD12 ILE 21 -10.485 11.317 -1.957 173 HD13 ILE 21 HD13 ILE 21 -9.987 9.713 -2.497 174 H SER 22 HN SER 22 -10.615 6.903 3.344 175 HA SER 22 HA SER 22 -10.631 4.772 4.144 176 HB2 SER 22 HB2 SER 22 -11.458 3.075 2.619 177 HB3 SER 22 HB3 SER 22 -12.279 4.599 2.287 178 HG SER 22 HG SER 22 -11.586 3.576 0.369 179 H SER 23 HN SER 23 -9.781 2.339 3.078 180 HA SER 23 HA SER 23 -6.963 2.689 2.402 181 HB2 SER 23 HB2 SER 23 -7.898 1.111 4.811 182 HB3 SER 23 HB3 SER 23 -6.243 1.162 4.203 183 HG SER 23 HG SER 23 -6.153 3.340 4.711 184 H SER 24 HN SER 24 -9.653 1.469 1.423 185 HA SER 24 HA SER 24 -9.148 -1.325 1.157 186 HB2 SER 24 HB2 SER 24 -11.426 -0.436 1.050 187 HB3 SER 24 HB3 SER 24 -11.016 0.481 -0.398 188 HG SER 24 HG SER 24 -11.536 -2.222 -0.091 189 H GLU 25 HN GLU 25 -8.292 -2.470 -0.522 190 HA GLU 25 HA GLU 25 -6.901 -0.894 -2.588 191 HB2 GLU 25 HB2 GLU 25 -5.462 -2.165 -0.985 192 HB3 GLU 25 HB3 GLU 25 -6.191 -3.651 -1.573 193 HG2 GLU 25 HG2 GLU 25 -4.042 -3.300 -2.610 194 HG3 GLU 25 HG3 GLU 25 -5.328 -3.188 -3.813 195 H GLU 26 HN GLU 26 -7.215 -1.358 -4.705 196 HA GLU 26 HA GLU 26 -9.507 -2.846 -5.452 197 HB2 GLU 26 HB2 GLU 26 -8.881 -2.310 -7.746 198 HB3 GLU 26 HB3 GLU 26 -8.730 -0.894 -6.716 199 HG2 GLU 26 HG2 GLU 26 -6.310 -1.259 -6.586 200 HG3 GLU 26 HG3 GLU 26 -6.474 -2.655 -7.649 201 H ASN 27 HN ASN 27 -6.423 -3.846 -4.678 202 HA ASN 27 HA ASN 27 -6.596 -6.238 -6.376 203 HB2 ASN 27 HB2 ASN 27 -4.494 -4.951 -6.532 204 HB3 ASN 27 HB3 ASN 27 -4.237 -5.176 -4.804 205 HD21 ASN 27 HD21 ASN 27 -4.239 -6.686 -7.927 206 HD22 ASN 27 HD22 ASN 27 -3.415 -8.130 -7.456 207 H ASP 28 HN ASP 28 -7.806 -7.712 -5.338 208 HA ASP 28 HA ASP 28 -6.805 -8.816 -2.870 209 HB2 ASP 28 HB2 ASP 28 -8.938 -8.615 -1.651 210 HB3 ASP 28 HB3 ASP 28 -8.235 -7.040 -1.998 211 H PHE 29 HN PHE 29 -7.331 -9.579 -5.698 212 HA PHE 29 HA PHE 29 -8.993 -11.944 -5.140 213 HB2 PHE 29 HB2 PHE 29 -10.175 -10.318 -6.610 214 HB3 PHE 29 HB3 PHE 29 -8.865 -10.465 -7.776 215 HD1 PHE 29 HD2 PHE 29 -11.605 -12.292 -6.113 216 HD2 PHE 29 HD1 PHE 29 -8.773 -12.275 -9.290 217 HE1 PHE 29 HE2 PHE 29 -12.748 -14.216 -7.136 218 HE2 PHE 29 HE1 PHE 29 -9.911 -14.199 -10.320 219 HZ PHE 29 HZ PHE 29 -11.900 -15.173 -9.241 220 H TRP 30 HN TRP 30 -6.064 -10.655 -6.348 221 HA TRP 30 HA TRP 30 -5.340 -13.154 -7.677 222 HB2 TRP 30 HB2 TRP 30 -4.098 -10.415 -7.615 223 HB3 TRP 30 HB3 TRP 30 -3.209 -11.811 -8.220 224 HD1 TRP 30 HD1 TRP 30 -5.748 -9.264 -9.245 225 HE1 TRP 30 HE1 TRP 30 -6.544 -9.744 -11.647 226 HE3 TRP 30 HE3 TRP 30 -3.725 -13.916 -9.847 227 HZ2 TRP 30 HZ2 TRP 30 -6.340 -11.825 -13.546 228 HZ3 TRP 30 HZ3 TRP 30 -4.072 -15.087 -11.986 229 HH2 TRP 30 HH2 TRP 30 -5.353 -14.062 -13.794 230 H GLN 31 HN GLN 31 -2.820 -11.271 -6.221 231 HA GLN 31 HA GLN 31 -2.601 -13.112 -3.968 232 HB2 GLN 31 HB2 GLN 31 -0.392 -12.669 -5.983 233 HB3 GLN 31 HB3 GLN 31 -0.206 -13.522 -4.456 234 HG2 GLN 31 HG2 GLN 31 -1.840 -15.188 -5.201 235 HG3 GLN 31 HG3 GLN 31 -1.986 -14.342 -6.741 236 HE21 GLN 31 HE21 GLN 31 -0.275 -14.407 -8.203 237 HE22 GLN 31 HE22 GLN 31 0.984 -15.583 -8.087 238 HA PRO 32 HA PRO 32 -1.566 -8.658 -2.980 239 HB2 PRO 32 HB2 PRO 32 -3.358 -9.111 -0.701 240 HB3 PRO 32 HB3 PRO 32 -3.395 -7.833 -1.917 241 HG2 PRO 32 HG2 PRO 32 -5.245 -9.784 -1.844 242 HG3 PRO 32 HG3 PRO 32 -4.690 -9.063 -3.366 243 HD2 PRO 32 HD2 PRO 32 -3.913 -11.670 -2.109 244 HD3 PRO 32 HD3 PRO 32 -4.256 -11.298 -3.813 245 H LYS 33 HN LYS 33 -1.683 -11.634 -1.155 246 HA LYS 33 HA LYS 33 0.033 -10.572 0.935 247 HB2 LYS 33 HB2 LYS 33 -1.325 -13.223 0.511 248 HB3 LYS 33 HB3 LYS 33 -0.103 -13.010 1.757 249 HG2 LYS 33 HG2 LYS 33 -2.248 -12.753 2.762 250 HG3 LYS 33 HG3 LYS 33 -1.476 -11.168 2.706 251 HD2 LYS 33 HD2 LYS 33 -2.772 -10.672 0.644 252 HD3 LYS 33 HD3 LYS 33 -3.609 -12.212 0.845 253 HE2 LYS 33 HE2 LYS 33 -4.462 -11.474 3.008 254 HE3 LYS 33 HE3 LYS 33 -3.597 -9.947 2.838 255 HZ1 LYS 33 HZ1 LYS 33 -4.937 -9.487 0.853 256 HZ2 LYS 33 HZ2 LYS 33 -5.892 -9.662 2.238 257 HZ3 LYS 33 HZ3 LYS 33 -5.807 -10.917 1.107 258 HA PRO 34 HA PRO 34 3.838 -11.811 -0.942 259 HB2 PRO 34 HB2 PRO 34 4.891 -12.329 1.756 260 HB3 PRO 34 HB3 PRO 34 5.402 -11.133 0.562 261 HG2 PRO 34 HG2 PRO 34 4.099 -10.424 2.799 262 HG3 PRO 34 HG3 PRO 34 3.852 -9.573 1.262 263 HD2 PRO 34 HD2 PRO 34 2.132 -11.642 2.582 264 HD3 PRO 34 HD3 PRO 34 1.658 -10.150 1.742 265 H THR 35 HN THR 35 1.853 -13.890 0.720 266 HA THR 35 HA THR 35 1.683 -16.151 0.885 267 HB THR 35 HB THR 35 3.844 -16.193 -1.233 268 HG1 THR 35 HG1 THR 35 2.214 -16.034 -2.690 269 HG21 THR 35 HG21 THR 35 3.549 -18.363 -0.162 270 HG22 THR 35 HG22 THR 35 2.903 -18.396 -1.802 271 HG23 THR 35 HG23 THR 35 1.808 -18.274 -0.425 Start of MODEL 3 1 H1 GLU 1 H1 GLU 1 33.936 9.288 5.142 2 H2 GLU 1 H2 GLU 1 34.978 8.011 5.522 3 H3 GLU 1 H3 GLU 1 35.598 9.439 4.861 4 HA GLU 1 HA GLU 1 34.254 9.235 7.490 5 HB2 GLU 1 HB2 GLU 1 36.464 9.499 8.482 6 HB3 GLU 1 HB3 GLU 1 36.414 8.060 7.477 7 HG2 GLU 1 HG2 GLU 1 37.521 10.694 6.546 8 HG3 GLU 1 HG3 GLU 1 38.497 9.435 7.301 9 H LYS 2 HN LYS 2 34.686 11.116 4.878 10 HA LYS 2 HA LYS 2 34.803 13.580 6.490 11 HB2 LYS 2 HB2 LYS 2 35.734 13.224 3.635 12 HB3 LYS 2 HB3 LYS 2 35.795 14.716 4.563 13 HG2 LYS 2 HG2 LYS 2 37.376 13.702 6.113 14 HG3 LYS 2 HG3 LYS 2 37.300 12.187 5.208 15 HD2 LYS 2 HD2 LYS 2 38.169 13.344 3.225 16 HD3 LYS 2 HD3 LYS 2 38.265 14.843 4.149 17 HE2 LYS 2 HE2 LYS 2 39.856 13.799 5.683 18 HE3 LYS 2 HE3 LYS 2 39.755 12.297 4.768 19 HZ1 LYS 2 HZ1 LYS 2 40.637 13.474 2.836 20 HZ2 LYS 2 HZ2 LYS 2 41.708 13.548 4.143 21 HZ3 LYS 2 HZ3 LYS 2 40.765 14.896 3.745 22 H LEU 3 HN LEU 3 32.973 11.643 4.434 23 HA LEU 3 HA LEU 3 31.015 13.780 4.113 24 HB2 LEU 3 HB2 LEU 3 31.675 11.786 1.951 25 HB3 LEU 3 HB3 LEU 3 30.483 13.067 1.857 26 HG LEU 3 HG LEU 3 32.578 14.611 2.302 27 HD11 LEU 3 HD11 LEU 3 33.810 12.170 1.028 28 HD12 LEU 3 HD12 LEU 3 34.590 13.740 1.227 29 HD13 LEU 3 HD13 LEU 3 34.155 12.787 2.644 30 HD21 LEU 3 HD21 LEU 3 31.167 14.740 0.339 31 HD22 LEU 3 HD22 LEU 3 32.866 14.817 -0.131 32 HD23 LEU 3 HD23 LEU 3 31.956 13.323 -0.352 33 H LYS 4 HN LYS 4 29.033 13.225 4.739 34 HA LYS 4 HA LYS 4 28.544 10.415 5.418 35 HB2 LYS 4 HB2 LYS 4 27.070 12.916 6.265 36 HB3 LYS 4 HB3 LYS 4 26.737 11.287 6.841 37 HG2 LYS 4 HG2 LYS 4 28.660 11.196 8.110 38 HG3 LYS 4 HG3 LYS 4 29.469 12.449 7.164 39 HD2 LYS 4 HD2 LYS 4 28.878 13.367 9.305 40 HD3 LYS 4 HD3 LYS 4 27.847 14.101 8.076 41 HE2 LYS 4 HE2 LYS 4 26.052 12.530 8.668 42 HE3 LYS 4 HE3 LYS 4 27.085 11.831 9.915 43 HZ1 LYS 4 HZ1 LYS 4 25.537 13.438 10.843 44 HZ2 LYS 4 HZ2 LYS 4 26.145 14.648 9.832 45 HZ3 LYS 4 HZ3 LYS 4 27.130 13.975 11.029 46 H GLN 5 HN GLN 5 25.827 10.334 5.496 47 HA GLN 5 HA GLN 5 23.961 9.969 4.261 48 HB2 GLN 5 HB2 GLN 5 25.106 12.167 2.534 49 HB3 GLN 5 HB3 GLN 5 23.500 11.482 2.331 50 HG2 GLN 5 HG2 GLN 5 24.510 12.939 4.764 51 HG3 GLN 5 HG3 GLN 5 23.418 13.584 3.541 52 HE21 GLN 5 HE21 GLN 5 23.020 13.252 6.409 53 HE22 GLN 5 HE22 GLN 5 21.620 12.257 6.587 54 H ASP 6 HN ASP 6 26.013 10.823 1.497 55 HA ASP 6 HA ASP 6 26.166 7.998 0.753 56 HB2 ASP 6 HB2 ASP 6 25.136 10.162 -1.095 57 HB3 ASP 6 HB3 ASP 6 25.416 8.479 -1.534 58 H ILE 7 HN ILE 7 28.300 7.701 0.684 59 HA ILE 7 HA ILE 7 30.117 9.757 -0.181 60 HB ILE 7 HB ILE 7 30.625 6.855 0.502 61 HG12 ILE 7 HG12 ILE 7 31.734 8.022 2.532 62 HG13 ILE 7 HG13 ILE 7 30.765 9.417 2.073 63 HG21 ILE 7 HG21 ILE 7 32.568 9.106 0.014 64 HG22 ILE 7 HG22 ILE 7 32.994 7.519 0.655 65 HG23 ILE 7 HG23 ILE 7 32.352 7.666 -0.981 66 HD11 ILE 7 HD11 ILE 7 28.737 8.158 2.383 67 HD12 ILE 7 HD12 ILE 7 29.661 6.695 2.714 68 HD13 ILE 7 HD13 ILE 7 29.730 8.055 3.835 69 H LEU 8 HN LEU 8 28.661 6.879 -1.517 70 HA LEU 8 HA LEU 8 30.202 7.184 -3.992 71 HB2 LEU 8 HB2 LEU 8 28.486 4.943 -2.936 72 HB3 LEU 8 HB3 LEU 8 29.082 4.979 -4.583 73 HG LEU 8 HG LEU 8 30.489 3.540 -3.273 74 HD11 LEU 8 HD11 LEU 8 31.890 6.152 -3.811 75 HD12 LEU 8 HD12 LEU 8 32.664 4.580 -3.621 76 HD13 LEU 8 HD13 LEU 8 31.590 4.873 -4.988 77 HD21 LEU 8 HD21 LEU 8 29.986 4.497 -1.067 78 HD22 LEU 8 HD22 LEU 8 31.719 4.301 -1.331 79 HD23 LEU 8 HD23 LEU 8 30.983 5.898 -1.461 80 H ASN 9 HN ASN 9 27.694 8.622 -2.799 81 HA ASN 9 HA ASN 9 25.874 9.702 -3.611 82 HB2 ASN 9 HB2 ASN 9 27.564 10.113 -5.499 83 HB3 ASN 9 HB3 ASN 9 26.694 8.864 -6.384 84 HD21 ASN 9 HD21 ASN 9 25.166 11.088 -4.164 85 HD22 ASN 9 HD22 ASN 9 24.278 11.970 -5.355 86 H LEU 10 HN LEU 10 26.006 6.646 -3.264 87 HA LEU 10 HA LEU 10 23.734 5.857 -4.924 88 HB2 LEU 10 HB2 LEU 10 25.645 4.324 -4.766 89 HB3 LEU 10 HB3 LEU 10 25.442 4.241 -3.027 90 HG LEU 10 HG LEU 10 23.187 3.229 -3.397 91 HD11 LEU 10 HD11 LEU 10 22.685 2.305 -5.606 92 HD12 LEU 10 HD12 LEU 10 22.763 4.066 -5.638 93 HD13 LEU 10 HD13 LEU 10 24.107 3.114 -6.266 94 HD21 LEU 10 HD21 LEU 10 24.046 1.023 -4.017 95 HD22 LEU 10 HD22 LEU 10 25.533 1.769 -4.603 96 HD23 LEU 10 HD23 LEU 10 25.123 1.846 -2.888 97 H ARG 11 HN ARG 11 21.969 6.823 -4.042 98 HA ARG 11 HA ARG 11 21.402 7.276 -1.379 99 HB2 ARG 11 HB2 ARG 11 19.401 6.619 -3.546 100 HB3 ARG 11 HB3 ARG 11 19.065 7.474 -2.046 101 HG2 ARG 11 HG2 ARG 11 20.579 9.278 -2.770 102 HG3 ARG 11 HG3 ARG 11 20.825 8.426 -4.296 103 HD2 ARG 11 HD2 ARG 11 19.168 10.151 -4.601 104 HD3 ARG 11 HD3 ARG 11 18.397 8.570 -4.728 105 HE ARG 11 HE ARG 11 18.245 9.574 -2.076 106 HH11 ARG 11 HH12 ARG 11 16.841 9.913 -5.250 107 HH12 ARG 11 HH11 ARG 11 15.317 10.482 -4.654 108 HH21 ARG 11 HH22 ARG 11 16.246 10.323 -1.286 109 HH22 ARG 11 HH21 ARG 11 14.981 10.719 -2.402 110 H THR 12 HN THR 12 21.380 5.867 0.224 111 HA THR 12 HA THR 12 19.734 3.470 -0.004 112 HB THR 12 HB THR 12 21.962 2.668 -0.608 113 HG1 THR 12 HG1 THR 12 21.437 0.963 0.513 114 HG21 THR 12 HG21 THR 12 23.301 4.387 0.502 115 HG22 THR 12 HG22 THR 12 23.816 2.773 0.995 116 HG23 THR 12 HG23 THR 12 22.826 3.752 2.077 117 H ASP 13 HN ASP 13 20.210 6.183 1.542 118 HA ASP 13 HA ASP 13 20.353 5.339 4.284 119 HB2 ASP 13 HB2 ASP 13 19.524 8.012 3.131 120 HB3 ASP 13 HB3 ASP 13 19.937 7.691 4.813 121 H ILE 14 HN ILE 14 17.978 5.059 2.034 122 HA ILE 14 HA ILE 14 15.870 5.168 4.087 123 HB ILE 14 HB ILE 14 15.549 6.989 2.478 124 HG12 ILE 14 HG12 ILE 14 13.520 4.774 2.098 125 HG13 ILE 14 HG13 ILE 14 13.596 5.837 3.498 126 HG21 ILE 14 HG21 ILE 14 16.675 6.001 0.563 127 HG22 ILE 14 HG22 ILE 14 15.395 4.798 0.412 128 HG23 ILE 14 HG23 ILE 14 15.041 6.503 0.131 129 HD11 ILE 14 HD11 ILE 14 13.161 7.759 2.045 130 HD12 ILE 14 HD12 ILE 14 13.047 6.672 0.661 131 HD13 ILE 14 HD13 ILE 14 11.872 6.558 1.971 132 H SER 15 HN SER 15 14.487 3.468 4.205 133 HA SER 15 HA SER 15 14.511 1.415 2.147 134 HB2 SER 15 HB2 SER 15 15.258 0.820 5.020 135 HB3 SER 15 HB3 SER 15 14.985 -0.389 3.767 136 HG SER 15 HG SER 15 17.040 -0.137 3.409 137 H THR 16 HN THR 16 12.930 3.265 4.388 138 HA THR 16 HA THR 16 10.697 1.375 4.671 139 HB THR 16 HB THR 16 11.154 3.967 6.161 140 HG1 THR 16 HG1 THR 16 12.592 2.696 7.116 141 HG21 THR 16 HG21 THR 16 8.795 3.330 6.007 142 HG22 THR 16 HG22 THR 16 9.393 3.144 7.656 143 HG23 THR 16 HG23 THR 16 9.183 1.724 6.627 144 H SER 17 HN SER 17 9.361 1.568 2.978 145 HA SER 17 HA SER 17 8.261 4.226 2.421 146 HB2 SER 17 HB2 SER 17 9.958 3.837 0.693 147 HB3 SER 17 HB3 SER 17 9.210 2.292 0.290 148 HG SER 17 HG SER 17 8.292 3.606 -1.139 149 H SEP 18 HN SER 18 6.186 4.149 1.289 150 HA SEP 18 HA SER 18 4.776 1.593 1.678 151 HB2 SEP 18 HB2 SER 18 4.164 3.172 3.463 152 HB3 SEP 18 HB3 SER 18 3.694 4.364 2.248 153 H SER 19 HN SER 19 4.016 0.829 -0.167 154 HA SER 19 HA SER 19 4.020 2.258 -2.587 155 HB2 SER 19 HB2 SER 19 2.793 0.305 -3.500 156 HB3 SER 19 HB3 SER 19 4.191 -0.174 -2.538 157 HG SER 19 HG SER 19 2.321 -1.400 -2.032 158 H SER 20 HN SER 20 2.044 2.467 -4.009 159 HA SER 20 HA SER 20 0.102 4.085 -2.625 160 HB2 SER 20 HB2 SER 20 0.974 4.800 -4.802 161 HB3 SER 20 HB3 SER 20 0.326 3.342 -5.554 162 HG SER 20 HG SER 20 -0.973 5.647 -4.719 163 H ILE 21 HN ILE 21 0.365 0.846 -3.069 164 HA ILE 21 HA ILE 21 -2.194 0.057 -3.930 165 HB ILE 21 HB ILE 21 -0.330 -1.408 -2.056 166 HG12 ILE 21 HG12 ILE 21 -0.617 -1.627 -5.063 167 HG13 ILE 21 HG13 ILE 21 0.687 -0.776 -4.240 168 HG21 ILE 21 HG21 ILE 21 -2.612 -2.282 -2.006 169 HG22 ILE 21 HG22 ILE 21 -2.594 -2.440 -3.764 170 HG23 ILE 21 HG23 ILE 21 -1.508 -3.421 -2.779 171 HD11 ILE 21 HD11 ILE 21 1.434 -2.948 -4.954 172 HD12 ILE 21 HD12 ILE 21 1.365 -2.897 -3.192 173 HD13 ILE 21 HD13 ILE 21 0.100 -3.724 -4.101 174 H SER 22 HN SER 22 -4.021 0.691 -2.997 175 HA SER 22 HA SER 22 -4.162 0.754 -0.055 176 HB2 SER 22 HB2 SER 22 -4.553 2.945 -1.090 177 HB3 SER 22 HB3 SER 22 -5.839 2.260 -2.080 178 HG SER 22 HG SER 22 -5.800 2.827 0.660 179 H SER 23 HN SER 23 -5.205 -0.874 -2.818 180 HA SER 23 HA SER 23 -7.760 -1.733 -1.798 181 HB2 SER 23 HB2 SER 23 -6.144 -2.754 -4.147 182 HB3 SER 23 HB3 SER 23 -7.818 -3.180 -3.791 183 HG SER 23 HG SER 23 -7.353 -0.479 -3.884 184 H SER 24 HN SER 24 -8.214 -4.147 -1.742 185 HA SER 24 HA SER 24 -5.987 -5.578 -0.449 186 HB2 SER 24 HB2 SER 24 -7.624 -6.576 1.112 187 HB3 SER 24 HB3 SER 24 -7.574 -4.820 1.261 188 HG SER 24 HG SER 24 -9.398 -5.008 -0.394 189 H GLU 25 HN GLU 25 -6.055 -7.890 -0.610 190 HA GLU 25 HA GLU 25 -6.737 -8.837 -3.162 191 HB2 GLU 25 HB2 GLU 25 -6.097 -10.330 -0.615 192 HB3 GLU 25 HB3 GLU 25 -6.280 -11.109 -2.181 193 HG2 GLU 25 HG2 GLU 25 -3.957 -10.808 -1.764 194 HG3 GLU 25 HG3 GLU 25 -4.435 -9.688 -3.039 195 H GLU 26 HN GLU 26 -8.718 -9.104 -3.930 196 HA GLU 26 HA GLU 26 -10.961 -9.570 -2.177 197 HB2 GLU 26 HB2 GLU 26 -11.190 -8.073 -4.103 198 HB3 GLU 26 HB3 GLU 26 -10.811 -9.401 -5.193 199 HG2 GLU 26 HG2 GLU 26 -12.840 -10.533 -4.619 200 HG3 GLU 26 HG3 GLU 26 -13.192 -9.356 -3.354 201 H ASN 27 HN ASN 27 -12.049 -11.429 -1.857 202 HA ASN 27 HA ASN 27 -10.868 -13.861 -2.970 203 HB2 ASN 27 HB2 ASN 27 -12.780 -13.435 -0.665 204 HB3 ASN 27 HB3 ASN 27 -12.199 -15.010 -1.196 205 HD21 ASN 27 HD21 ASN 27 -11.317 -11.979 0.276 206 HD22 ASN 27 HD22 ASN 27 -9.824 -12.518 0.959 207 H ASP 28 HN ASP 28 -12.660 -15.703 -3.117 208 HA ASP 28 HA ASP 28 -15.234 -15.015 -4.029 209 HB2 ASP 28 HB2 ASP 28 -14.089 -14.027 -5.927 210 HB3 ASP 28 HB3 ASP 28 -13.178 -15.509 -6.191 211 H PHE 29 HN PHE 29 -16.273 -16.759 -3.366 212 HA PHE 29 HA PHE 29 -15.252 -19.405 -4.138 213 HB2 PHE 29 HB2 PHE 29 -16.728 -19.063 -1.555 214 HB3 PHE 29 HB3 PHE 29 -15.603 -20.329 -2.032 215 HD1 PHE 29 HD2 PHE 29 -15.897 -16.883 -0.804 216 HD2 PHE 29 HD1 PHE 29 -13.265 -20.102 -1.696 217 HE1 PHE 29 HE2 PHE 29 -14.090 -15.729 0.401 218 HE2 PHE 29 HE1 PHE 29 -11.446 -18.953 -0.492 219 HZ PHE 29 HZ PHE 29 -11.877 -16.769 0.589 220 H TRP 30 HN TRP 30 -17.968 -17.548 -2.944 221 HA TRP 30 HA TRP 30 -19.724 -18.754 -4.893 222 HB2 TRP 30 HB2 TRP 30 -20.249 -18.964 -1.925 223 HB3 TRP 30 HB3 TRP 30 -21.474 -19.229 -3.160 224 HD1 TRP 30 HD1 TRP 30 -18.830 -20.968 -1.254 225 HE1 TRP 30 HE1 TRP 30 -18.540 -23.383 -2.107 226 HE3 TRP 30 HE3 TRP 30 -21.551 -20.625 -5.558 227 HZ2 TRP 30 HZ2 TRP 30 -19.359 -24.932 -4.322 228 HZ3 TRP 30 HZ3 TRP 30 -21.750 -22.616 -6.992 229 HH2 TRP 30 HH2 TRP 30 -20.675 -24.723 -6.385 230 H GLN 31 HN GLN 31 -21.201 -17.375 -5.582 231 HA GLN 31 HA GLN 31 -21.474 -14.813 -4.169 232 HB2 GLN 31 HB2 GLN 31 -20.321 -14.563 -6.299 233 HB3 GLN 31 HB3 GLN 31 -21.625 -15.398 -7.130 234 HG2 GLN 31 HG2 GLN 31 -23.145 -13.610 -6.658 235 HG3 GLN 31 HG3 GLN 31 -21.940 -12.795 -5.663 236 HE21 GLN 31 HE21 GLN 31 -23.365 -11.863 -8.041 237 HE22 GLN 31 HE22 GLN 31 -22.145 -11.431 -9.187 238 HA PRO 32 HA PRO 32 -25.650 -16.787 -4.101 239 HB2 PRO 32 HB2 PRO 32 -25.903 -15.462 -1.510 240 HB3 PRO 32 HB3 PRO 32 -26.011 -17.179 -1.898 241 HG2 PRO 32 HG2 PRO 32 -23.946 -16.123 -0.505 242 HG3 PRO 32 HG3 PRO 32 -23.771 -17.535 -1.565 243 HD2 PRO 32 HD2 PRO 32 -23.046 -14.675 -2.081 244 HD3 PRO 32 HD3 PRO 32 -22.167 -16.158 -2.506 245 H LYS 33 HN LYS 33 -25.069 -13.633 -2.520 246 HA LYS 33 HA LYS 33 -27.396 -12.561 -3.953 247 HB2 LYS 33 HB2 LYS 33 -25.951 -11.687 -1.459 248 HB3 LYS 33 HB3 LYS 33 -27.070 -10.623 -2.296 249 HG2 LYS 33 HG2 LYS 33 -28.343 -11.597 -0.608 250 HG3 LYS 33 HG3 LYS 33 -28.774 -12.505 -2.056 251 HD2 LYS 33 HD2 LYS 33 -28.461 -14.058 -0.257 252 HD3 LYS 33 HD3 LYS 33 -27.117 -14.239 -1.384 253 HE2 LYS 33 HE2 LYS 33 -25.699 -12.896 0.062 254 HE3 LYS 33 HE3 LYS 33 -27.045 -12.636 1.170 255 HZ1 LYS 33 HZ1 LYS 33 -25.582 -14.372 1.973 256 HZ2 LYS 33 HZ2 LYS 33 -25.789 -15.256 0.545 257 HZ3 LYS 33 HZ3 LYS 33 -27.099 -15.022 1.591 258 HA PRO 34 HA PRO 34 -25.104 -10.011 -6.727 259 HB2 PRO 34 HB2 PRO 34 -26.637 -7.688 -5.663 260 HB3 PRO 34 HB3 PRO 34 -26.430 -8.228 -7.334 261 HG2 PRO 34 HG2 PRO 34 -28.721 -8.656 -6.053 262 HG3 PRO 34 HG3 PRO 34 -28.043 -9.889 -7.133 263 HD2 PRO 34 HD2 PRO 34 -28.065 -9.786 -4.149 264 HD3 PRO 34 HD3 PRO 34 -28.237 -11.181 -5.232 265 H THR 35 HN THR 35 -23.035 -9.577 -6.285 266 HA THR 35 HA THR 35 -22.110 -8.550 -3.823 267 HB THR 35 HB THR 35 -19.915 -8.307 -4.961 268 HG1 THR 35 HG1 THR 35 -20.344 -9.498 -7.251 269 HG21 THR 35 HG21 THR 35 -19.607 -10.690 -5.476 270 HG22 THR 35 HG22 THR 35 -21.358 -10.904 -5.517 271 HG23 THR 35 HG23 THR 35 -20.558 -10.460 -4.008 Start of MODEL 4 1 H1 GLU 1 H1 GLU 1 30.678 18.152 -1.653 2 H2 GLU 1 H2 GLU 1 29.537 18.365 -0.423 3 H3 GLU 1 H3 GLU 1 29.298 17.174 -1.598 4 HA GLU 1 HA GLU 1 31.254 15.988 -0.825 5 HB2 GLU 1 HB2 GLU 1 31.247 18.082 1.362 6 HB3 GLU 1 HB3 GLU 1 32.291 16.668 1.301 7 HG2 GLU 1 HG2 GLU 1 32.281 18.942 -0.674 8 HG3 GLU 1 HG3 GLU 1 33.464 18.683 0.608 9 H LYS 2 HN LYS 2 28.367 17.299 0.445 10 HA LYS 2 HA LYS 2 28.024 15.416 2.582 11 HB2 LYS 2 HB2 LYS 2 26.969 17.644 2.615 12 HB3 LYS 2 HB3 LYS 2 26.004 17.202 1.214 13 HG2 LYS 2 HG2 LYS 2 24.924 15.436 2.527 14 HG3 LYS 2 HG3 LYS 2 25.878 15.912 3.934 15 HD2 LYS 2 HD2 LYS 2 23.702 16.906 4.124 16 HD3 LYS 2 HD3 LYS 2 24.868 18.184 3.770 17 HE2 LYS 2 HE2 LYS 2 24.216 18.096 1.402 18 HE3 LYS 2 HE3 LYS 2 23.029 16.848 1.784 19 HZ1 LYS 2 HZ1 LYS 2 21.978 19.002 1.654 20 HZ2 LYS 2 HZ2 LYS 2 23.032 19.634 2.816 21 HZ3 LYS 2 HZ3 LYS 2 21.917 18.439 3.248 22 H LEU 3 HN LEU 3 26.766 13.570 2.622 23 HA LEU 3 HA LEU 3 25.177 12.753 0.397 24 HB2 LEU 3 HB2 LEU 3 27.525 12.304 -0.380 25 HB3 LEU 3 HB3 LEU 3 27.676 11.157 0.936 26 HG LEU 3 HG LEU 3 25.819 9.836 -0.031 27 HD11 LEU 3 HD11 LEU 3 24.646 11.597 -1.207 28 HD12 LEU 3 HD12 LEU 3 26.021 11.823 -2.289 29 HD13 LEU 3 HD13 LEU 3 25.102 10.317 -2.331 30 HD21 LEU 3 HD21 LEU 3 28.130 10.372 -1.893 31 HD22 LEU 3 HD22 LEU 3 28.121 9.245 -0.538 32 HD23 LEU 3 HD23 LEU 3 27.086 8.952 -1.935 33 H LYS 4 HN LYS 4 23.585 11.521 1.148 34 HA LYS 4 HA LYS 4 23.815 10.430 3.843 35 HB2 LYS 4 HB2 LYS 4 21.397 10.652 2.043 36 HB3 LYS 4 HB3 LYS 4 21.388 10.202 3.744 37 HG2 LYS 4 HG2 LYS 4 21.920 12.361 4.442 38 HG3 LYS 4 HG3 LYS 4 22.493 12.834 2.843 39 HD2 LYS 4 HD2 LYS 4 20.213 12.702 1.981 40 HD3 LYS 4 HD3 LYS 4 19.633 12.213 3.576 41 HE2 LYS 4 HE2 LYS 4 20.307 14.334 4.514 42 HE3 LYS 4 HE3 LYS 4 21.029 14.818 2.980 43 HZ1 LYS 4 HZ1 LYS 4 18.840 14.775 1.970 44 HZ2 LYS 4 HZ2 LYS 4 18.850 15.817 3.301 45 HZ3 LYS 4 HZ3 LYS 4 18.140 14.288 3.432 46 H GLN 5 HN GLN 5 24.164 9.366 0.679 47 HA GLN 5 HA GLN 5 23.086 6.716 1.059 48 HB2 GLN 5 HB2 GLN 5 24.856 7.775 -1.151 49 HB3 GLN 5 HB3 GLN 5 23.987 6.246 -1.165 50 HG2 GLN 5 HG2 GLN 5 22.779 9.004 -1.151 51 HG3 GLN 5 HG3 GLN 5 22.815 7.869 -2.500 52 HE21 GLN 5 HE21 GLN 5 21.348 8.675 0.533 53 HE22 GLN 5 HE22 GLN 5 20.036 7.557 0.434 54 H ASP 6 HN ASP 6 25.534 8.032 2.542 55 HA ASP 6 HA ASP 6 27.620 6.100 2.012 56 HB2 ASP 6 HB2 ASP 6 28.079 8.489 2.648 57 HB3 ASP 6 HB3 ASP 6 27.457 8.127 4.254 58 H ILE 7 HN ILE 7 24.861 5.423 3.130 59 HA ILE 7 HA ILE 7 25.019 4.590 5.777 60 HB ILE 7 HB ILE 7 23.524 3.145 3.593 61 HG12 ILE 7 HG12 ILE 7 22.999 5.530 3.489 62 HG13 ILE 7 HG13 ILE 7 21.627 4.631 4.127 63 HG21 ILE 7 HG21 ILE 7 21.985 2.528 5.389 64 HG22 ILE 7 HG22 ILE 7 23.621 1.956 5.718 65 HG23 ILE 7 HG23 ILE 7 23.000 3.378 6.554 66 HD11 ILE 7 HD11 ILE 7 21.926 6.687 5.346 67 HD12 ILE 7 HD12 ILE 7 22.265 5.314 6.398 68 HD13 ILE 7 HD13 ILE 7 23.593 6.257 5.723 69 H LEU 8 HN LEU 8 25.282 2.453 2.955 70 HA LEU 8 HA LEU 8 27.336 0.920 4.379 71 HB2 LEU 8 HB2 LEU 8 25.105 -0.247 2.726 72 HB3 LEU 8 HB3 LEU 8 26.390 -1.155 3.497 73 HG LEU 8 HG LEU 8 24.294 0.446 4.967 74 HD11 LEU 8 HD11 LEU 8 23.325 -1.487 3.839 75 HD12 LEU 8 HD12 LEU 8 24.545 -2.532 4.570 76 HD13 LEU 8 HD13 LEU 8 23.356 -1.717 5.588 77 HD21 LEU 8 HD21 LEU 8 26.362 -1.497 5.986 78 HD22 LEU 8 HD22 LEU 8 26.433 0.256 6.157 79 HD23 LEU 8 HD23 LEU 8 25.151 -0.657 6.953 80 H ASN 9 HN ASN 9 25.761 1.313 1.272 81 HA ASN 9 HA ASN 9 28.042 2.092 -0.142 82 HB2 ASN 9 HB2 ASN 9 28.744 -0.258 0.302 83 HB3 ASN 9 HB3 ASN 9 27.328 -0.816 -0.582 84 HD21 ASN 9 HD21 ASN 9 29.002 2.045 -1.586 85 HD22 ASN 9 HD22 ASN 9 29.734 1.368 -2.999 86 H LEU 10 HN LEU 10 25.491 3.036 -0.061 87 HA LEU 10 HA LEU 10 23.813 3.783 -1.413 88 HB2 LEU 10 HB2 LEU 10 25.753 4.105 -2.975 89 HB3 LEU 10 HB3 LEU 10 25.393 2.537 -3.667 90 HG LEU 10 HG LEU 10 23.106 3.444 -4.260 91 HD11 LEU 10 HD11 LEU 10 24.429 6.060 -3.558 92 HD12 LEU 10 HD12 LEU 10 22.880 5.875 -4.382 93 HD13 LEU 10 HD13 LEU 10 23.065 5.321 -2.717 94 HD21 LEU 10 HD21 LEU 10 25.541 4.735 -5.481 95 HD22 LEU 10 HD22 LEU 10 24.839 3.179 -5.926 96 HD23 LEU 10 HD23 LEU 10 23.942 4.669 -6.222 97 H ARG 11 HN ARG 11 24.081 0.851 -0.460 98 HA ARG 11 HA ARG 11 22.751 -0.836 -2.240 99 HB2 ARG 11 HB2 ARG 11 22.698 -0.861 0.779 100 HB3 ARG 11 HB3 ARG 11 22.180 -2.188 -0.252 101 HG2 ARG 11 HG2 ARG 11 24.433 -2.414 -1.127 102 HG3 ARG 11 HG3 ARG 11 24.968 -1.063 -0.126 103 HD2 ARG 11 HD2 ARG 11 24.341 -2.332 1.884 104 HD3 ARG 11 HD3 ARG 11 23.857 -3.686 0.866 105 HE ARG 11 HE ARG 11 26.532 -2.951 0.319 106 HH11 ARG 11 HH12 ARG 11 24.566 -4.548 2.711 107 HH12 ARG 11 HH11 ARG 11 25.856 -5.546 3.292 108 HH21 ARG 11 HH22 ARG 11 28.236 -4.263 1.077 109 HH22 ARG 11 HH21 ARG 11 27.942 -5.384 2.364 110 H THR 12 HN THR 12 21.182 0.213 0.726 111 HA THR 12 HA THR 12 19.011 1.535 -0.537 112 HB THR 12 HB THR 12 18.240 -0.585 -1.267 113 HG1 THR 12 HG1 THR 12 16.411 0.245 -0.544 114 HG21 THR 12 HG21 THR 12 18.718 -1.566 1.550 115 HG22 THR 12 HG22 THR 12 19.614 -2.038 0.105 116 HG23 THR 12 HG23 THR 12 17.918 -2.491 0.281 117 H ASP 13 HN ASP 13 18.391 2.985 0.908 118 HA ASP 13 HA ASP 13 18.734 2.386 3.759 119 HB2 ASP 13 HB2 ASP 13 19.882 4.393 2.990 120 HB3 ASP 13 HB3 ASP 13 18.377 5.031 2.333 121 H ILE 14 HN ILE 14 16.910 1.327 4.352 122 HA ILE 14 HA ILE 14 14.754 1.003 4.986 123 HB ILE 14 HB ILE 14 14.479 3.989 4.621 124 HG12 ILE 14 HG12 ILE 14 15.125 2.417 7.126 125 HG13 ILE 14 HG13 ILE 14 16.319 3.284 6.164 126 HG21 ILE 14 HG21 ILE 14 12.627 3.774 6.222 127 HG22 ILE 14 HG22 ILE 14 12.329 2.870 4.738 128 HG23 ILE 14 HG23 ILE 14 12.828 2.022 6.201 129 HD11 ILE 14 HD11 ILE 14 15.640 4.551 8.128 130 HD12 ILE 14 HD12 ILE 14 15.190 5.384 6.639 131 HD13 ILE 14 HD13 ILE 14 13.967 4.523 7.574 132 H SER 15 HN SER 15 13.988 3.761 2.915 133 HA SER 15 HA SER 15 12.757 3.981 1.022 134 HB2 SER 15 HB2 SER 15 14.442 2.536 -0.013 135 HB3 SER 15 HB3 SER 15 13.571 1.104 0.536 136 HG SER 15 HG SER 15 13.242 2.164 -1.729 137 H THR 16 HN THR 16 10.683 3.538 0.136 138 HA THR 16 HA THR 16 9.049 1.636 1.674 139 HB THR 16 HB THR 16 7.198 3.260 1.724 140 HG1 THR 16 HG1 THR 16 8.903 5.384 1.116 141 HG21 THR 16 HG21 THR 16 8.687 3.098 3.658 142 HG22 THR 16 HG22 THR 16 8.116 4.753 3.438 143 HG23 THR 16 HG23 THR 16 9.753 4.312 2.948 144 H SER 17 HN SER 17 8.333 0.180 0.265 145 HA SER 17 HA SER 17 7.853 0.939 -2.509 146 HB2 SER 17 HB2 SER 17 7.610 -1.491 -2.900 147 HB3 SER 17 HB3 SER 17 9.137 -1.106 -2.104 148 HG SER 17 HG SER 17 7.675 -2.911 -1.274 149 H SEP 18 HN SER 18 6.128 0.346 0.392 150 HA SEP 18 HA SER 18 3.599 0.053 -1.077 151 HB2 SEP 18 HB2 SER 18 4.024 -1.691 0.594 152 HB3 SEP 18 HB3 SER 18 4.212 -0.459 1.843 153 H SER 19 HN SER 19 1.778 1.325 -0.464 154 HA SER 19 HA SER 19 2.236 3.641 1.233 155 HB2 SER 19 HB2 SER 19 3.015 4.451 -0.920 156 HB3 SER 19 HB3 SER 19 1.531 3.904 -1.698 157 HG SER 19 HG SER 19 0.574 5.655 -1.044 158 H SER 20 HN SER 20 0.210 4.932 1.506 159 HA SER 20 HA SER 20 -1.939 3.252 2.191 160 HB2 SER 20 HB2 SER 20 -1.906 6.259 1.841 161 HB3 SER 20 HB3 SER 20 -3.164 5.341 2.667 162 HG SER 20 HG SER 20 -0.964 4.567 3.787 163 H ILE 21 HN ILE 21 -2.978 2.134 0.655 164 HA ILE 21 HA ILE 21 -3.835 3.532 -1.782 165 HB ILE 21 HB ILE 21 -2.565 1.485 -2.170 166 HG12 ILE 21 HG12 ILE 21 -4.252 0.266 -3.571 167 HG13 ILE 21 HG13 ILE 21 -5.507 1.267 -2.846 168 HG21 ILE 21 HG21 ILE 21 -3.082 0.312 -0.108 169 HG22 ILE 21 HG22 ILE 21 -4.756 0.112 -0.621 170 HG23 ILE 21 HG23 ILE 21 -3.462 -0.699 -1.502 171 HD11 ILE 21 HD11 ILE 21 -3.199 2.245 -4.510 172 HD12 ILE 21 HD12 ILE 21 -4.880 2.108 -5.026 173 HD13 ILE 21 HD13 ILE 21 -4.432 3.263 -3.770 174 H SER 22 HN SER 22 -5.959 3.700 -2.350 175 HA SER 22 HA SER 22 -7.899 3.399 -0.251 176 HB2 SER 22 HB2 SER 22 -7.973 5.333 -1.763 177 HB3 SER 22 HB3 SER 22 -8.250 4.258 -3.134 178 HG SER 22 HG SER 22 -10.146 3.544 -1.771 179 H SER 23 HN SER 23 -8.937 1.570 0.173 180 HA SER 23 HA SER 23 -9.093 -0.514 -1.855 181 HB2 SER 23 HB2 SER 23 -9.905 -1.940 -0.004 182 HB3 SER 23 HB3 SER 23 -8.367 -1.169 0.383 183 HG SER 23 HG SER 23 -9.752 0.493 1.428 184 H SER 24 HN SER 24 -10.764 -0.530 -3.192 185 HA SER 24 HA SER 24 -13.300 0.659 -2.360 186 HB2 SER 24 HB2 SER 24 -12.385 -0.309 -5.081 187 HB3 SER 24 HB3 SER 24 -13.915 0.503 -4.747 188 HG SER 24 HG SER 24 -12.784 2.347 -4.175 189 H GLU 25 HN GLU 25 -15.265 -0.546 -3.460 190 HA GLU 25 HA GLU 25 -15.152 -3.302 -2.460 191 HB2 GLU 25 HB2 GLU 25 -17.619 -3.155 -2.379 192 HB3 GLU 25 HB3 GLU 25 -16.840 -1.914 -1.407 193 HG2 GLU 25 HG2 GLU 25 -17.220 -0.284 -3.188 194 HG3 GLU 25 HG3 GLU 25 -18.011 -1.528 -4.155 195 H GLU 26 HN GLU 26 -14.526 -1.971 -5.237 196 HA GLU 26 HA GLU 26 -16.210 -3.712 -6.888 197 HB2 GLU 26 HB2 GLU 26 -16.075 -1.302 -7.483 198 HB3 GLU 26 HB3 GLU 26 -14.346 -1.489 -7.740 199 HG2 GLU 26 HG2 GLU 26 -15.541 -1.507 -9.844 200 HG3 GLU 26 HG3 GLU 26 -14.779 -3.069 -9.547 201 H ASN 27 HN ASN 27 -13.171 -3.579 -5.483 202 HA ASN 27 HA ASN 27 -12.078 -5.487 -7.443 203 HB2 ASN 27 HB2 ASN 27 -10.539 -3.742 -5.510 204 HB3 ASN 27 HB3 ASN 27 -9.849 -4.813 -6.726 205 HD21 ASN 27 HD21 ASN 27 -9.982 -4.241 -8.903 206 HD22 ASN 27 HD22 ASN 27 -10.321 -2.623 -9.402 207 H ASP 28 HN ASP 28 -13.405 -5.231 -4.414 208 HA ASP 28 HA ASP 28 -12.797 -7.924 -3.735 209 HB2 ASP 28 HB2 ASP 28 -11.657 -7.415 -1.563 210 HB3 ASP 28 HB3 ASP 28 -10.685 -7.050 -2.985 211 H PHE 29 HN PHE 29 -14.663 -8.611 -2.946 212 HA PHE 29 HA PHE 29 -15.916 -7.347 -0.713 213 HB2 PHE 29 HB2 PHE 29 -16.754 -5.915 -2.553 214 HB3 PHE 29 HB3 PHE 29 -17.428 -7.345 -3.331 215 HD1 PHE 29 HD2 PHE 29 -17.637 -5.220 -0.312 216 HD2 PHE 29 HD1 PHE 29 -19.527 -8.188 -2.706 217 HE1 PHE 29 HE2 PHE 29 -19.713 -4.931 0.976 218 HE2 PHE 29 HE1 PHE 29 -21.606 -7.904 -1.424 219 HZ PHE 29 HZ PHE 29 -21.699 -6.283 0.425 220 H TRP 30 HN TRP 30 -16.033 -9.706 -3.282 221 HA TRP 30 HA TRP 30 -17.770 -11.445 -1.702 222 HB2 TRP 30 HB2 TRP 30 -17.025 -11.262 -4.564 223 HB3 TRP 30 HB3 TRP 30 -17.296 -12.884 -3.935 224 HD1 TRP 30 HD1 TRP 30 -19.119 -9.987 -5.320 225 HE1 TRP 30 HE1 TRP 30 -21.660 -10.295 -5.028 226 HE3 TRP 30 HE3 TRP 30 -19.084 -13.902 -2.042 227 HZ2 TRP 30 HZ2 TRP 30 -23.416 -11.981 -3.593 228 HZ3 TRP 30 HZ3 TRP 30 -21.234 -14.805 -1.255 229 HH2 TRP 30 HH2 TRP 30 -23.355 -13.863 -2.015 230 H GLN 31 HN GLN 31 -14.987 -12.192 -3.782 231 HA GLN 31 HA GLN 31 -13.267 -13.649 -3.542 232 HB2 GLN 31 HB2 GLN 31 -12.803 -11.803 -1.787 233 HB3 GLN 31 HB3 GLN 31 -13.273 -13.016 -0.604 234 HG2 GLN 31 HG2 GLN 31 -11.526 -14.506 -1.472 235 HG3 GLN 31 HG3 GLN 31 -11.036 -13.241 -2.598 236 HE21 GLN 31 HE21 GLN 31 -8.975 -13.098 -1.733 237 HE22 GLN 31 HE22 GLN 31 -8.665 -12.389 -0.189 238 HA PRO 32 HA PRO 32 -16.112 -16.911 -1.768 239 HB2 PRO 32 HB2 PRO 32 -15.727 -18.194 -4.374 240 HB3 PRO 32 HB3 PRO 32 -17.227 -17.773 -3.548 241 HG2 PRO 32 HG2 PRO 32 -16.390 -16.471 -5.754 242 HG3 PRO 32 HG3 PRO 32 -17.298 -15.664 -4.462 243 HD2 PRO 32 HD2 PRO 32 -14.355 -15.622 -5.023 244 HD3 PRO 32 HD3 PRO 32 -15.428 -14.294 -4.531 245 H LYS 33 HN LYS 33 -13.853 -18.028 -4.272 246 HA LYS 33 HA LYS 33 -12.457 -19.590 -2.201 247 HB2 LYS 33 HB2 LYS 33 -13.079 -20.291 -5.070 248 HB3 LYS 33 HB3 LYS 33 -11.890 -21.166 -4.118 249 HG2 LYS 33 HG2 LYS 33 -13.808 -22.454 -3.927 250 HG3 LYS 33 HG3 LYS 33 -13.790 -21.519 -2.431 251 HD2 LYS 33 HD2 LYS 33 -15.375 -19.928 -3.411 252 HD3 LYS 33 HD3 LYS 33 -15.393 -20.869 -4.904 253 HE2 LYS 33 HE2 LYS 33 -16.250 -22.803 -3.634 254 HE3 LYS 33 HE3 LYS 33 -16.296 -21.805 -2.183 255 HZ1 LYS 33 HZ1 LYS 33 -18.465 -21.875 -3.154 256 HZ2 LYS 33 HZ2 LYS 33 -17.874 -21.401 -4.666 257 HZ3 LYS 33 HZ3 LYS 33 -17.846 -20.314 -3.368 258 HA PRO 34 HA PRO 34 -8.702 -17.498 -3.194 259 HB2 PRO 34 HB2 PRO 34 -6.925 -19.620 -3.102 260 HB3 PRO 34 HB3 PRO 34 -7.488 -18.708 -1.697 261 HG2 PRO 34 HG2 PRO 34 -8.422 -21.340 -2.751 262 HG3 PRO 34 HG3 PRO 34 -8.217 -20.810 -1.070 263 HD2 PRO 34 HD2 PRO 34 -10.640 -20.946 -2.224 264 HD3 PRO 34 HD3 PRO 34 -10.236 -19.676 -1.050 265 H THR 35 HN THR 35 -8.833 -16.851 -5.293 266 HA THR 35 HA THR 35 -8.848 -18.562 -7.532 267 HB THR 35 HB THR 35 -8.337 -16.530 -8.858 268 HG1 THR 35 HG1 THR 35 -7.691 -14.713 -7.898 269 HG21 THR 35 HG21 THR 35 -10.351 -15.279 -8.259 270 HG22 THR 35 HG22 THR 35 -10.411 -16.101 -6.702 271 HG23 THR 35 HG23 THR 35 -10.648 -17.015 -8.192 Start of MODEL 5 1 H1 GLU 1 H1 GLU 1 26.073 13.429 0.135 2 H2 GLU 1 H2 GLU 1 25.864 13.159 -1.520 3 H3 GLU 1 H3 GLU 1 24.654 12.706 -0.430 4 HA GLU 1 HA GLU 1 24.209 14.974 0.133 5 HB2 GLU 1 HB2 GLU 1 25.353 16.799 -1.023 6 HB3 GLU 1 HB3 GLU 1 26.502 15.809 -0.136 7 HG2 GLU 1 HG2 GLU 1 27.087 14.654 -2.233 8 HG3 GLU 1 HG3 GLU 1 25.991 15.728 -3.100 9 H LYS 2 HN LYS 2 24.343 12.949 -2.498 10 HA LYS 2 HA LYS 2 22.072 14.320 -3.742 11 HB2 LYS 2 HB2 LYS 2 24.167 14.834 -5.020 12 HB3 LYS 2 HB3 LYS 2 24.340 13.114 -5.335 13 HG2 LYS 2 HG2 LYS 2 22.249 13.100 -6.564 14 HG3 LYS 2 HG3 LYS 2 22.005 14.809 -6.197 15 HD2 LYS 2 HD2 LYS 2 22.873 14.715 -8.400 16 HD3 LYS 2 HD3 LYS 2 24.198 15.248 -7.367 17 HE2 LYS 2 HE2 LYS 2 25.061 13.619 -8.883 18 HE3 LYS 2 HE3 LYS 2 24.985 12.882 -7.284 19 HZ1 LYS 2 HZ1 LYS 2 23.035 12.486 -9.488 20 HZ2 LYS 2 HZ2 LYS 2 22.891 11.824 -7.940 21 HZ3 LYS 2 HZ3 LYS 2 24.172 11.358 -8.942 22 H LEU 3 HN LEU 3 23.497 11.527 -2.547 23 HA LEU 3 HA LEU 3 21.360 9.893 -3.693 24 HB2 LEU 3 HB2 LEU 3 24.150 8.925 -3.102 25 HB3 LEU 3 HB3 LEU 3 22.843 7.970 -3.766 26 HG LEU 3 HG LEU 3 22.901 9.719 -5.706 27 HD11 LEU 3 HD11 LEU 3 24.438 11.284 -4.716 28 HD12 LEU 3 HD12 LEU 3 25.648 10.020 -4.506 29 HD13 LEU 3 HD13 LEU 3 25.195 10.546 -6.127 30 HD21 LEU 3 HD21 LEU 3 23.412 7.354 -5.959 31 HD22 LEU 3 HD22 LEU 3 24.542 8.338 -6.887 32 HD23 LEU 3 HD23 LEU 3 25.045 7.625 -5.354 33 H LYS 4 HN LYS 4 20.083 9.022 -2.220 34 HA LYS 4 HA LYS 4 20.970 8.989 0.574 35 HB2 LYS 4 HB2 LYS 4 18.185 8.696 -0.562 36 HB3 LYS 4 HB3 LYS 4 18.601 8.848 1.140 37 HG2 LYS 4 HG2 LYS 4 19.138 11.089 0.945 38 HG3 LYS 4 HG3 LYS 4 19.390 10.978 -0.799 39 HD2 LYS 4 HD2 LYS 4 16.990 10.647 -1.124 40 HD3 LYS 4 HD3 LYS 4 16.735 10.752 0.620 41 HE2 LYS 4 HE2 LYS 4 16.206 12.868 -0.468 42 HE3 LYS 4 HE3 LYS 4 17.593 13.042 0.607 43 HZ1 LYS 4 HZ1 LYS 4 17.704 12.749 -2.347 44 HZ2 LYS 4 HZ2 LYS 4 19.048 12.872 -1.328 45 HZ3 LYS 4 HZ3 LYS 4 17.978 14.174 -1.478 46 H GLN 5 HN GLN 5 21.109 6.940 -1.887 47 HA GLN 5 HA GLN 5 20.005 4.593 -0.580 48 HB2 GLN 5 HB2 GLN 5 21.446 4.949 -3.212 49 HB3 GLN 5 HB3 GLN 5 20.836 3.407 -2.623 50 HG2 GLN 5 HG2 GLN 5 18.582 4.185 -2.715 51 HG3 GLN 5 HG3 GLN 5 19.109 5.829 -3.067 52 HE21 GLN 5 HE21 GLN 5 19.852 6.332 -5.122 53 HE22 GLN 5 HE22 GLN 5 19.569 5.306 -6.483 54 H ASP 6 HN ASP 6 21.195 4.041 1.157 55 HA ASP 6 HA ASP 6 23.960 3.220 0.664 56 HB2 ASP 6 HB2 ASP 6 23.070 4.869 3.044 57 HB3 ASP 6 HB3 ASP 6 24.678 4.187 2.817 58 H ILE 7 HN ILE 7 24.623 2.260 3.122 59 HA ILE 7 HA ILE 7 22.512 0.279 3.679 60 HB ILE 7 HB ILE 7 25.428 -0.326 4.041 61 HG12 ILE 7 HG12 ILE 7 23.837 -0.816 1.513 62 HG13 ILE 7 HG13 ILE 7 25.069 0.429 1.691 63 HG21 ILE 7 HG21 ILE 7 23.814 -1.824 5.080 64 HG22 ILE 7 HG22 ILE 7 23.001 -2.046 3.530 65 HG23 ILE 7 HG23 ILE 7 24.647 -2.638 3.757 66 HD11 ILE 7 HD11 ILE 7 25.962 -1.496 0.537 67 HD12 ILE 7 HD12 ILE 7 26.746 -1.307 2.106 68 HD13 ILE 7 HD13 ILE 7 25.506 -2.542 1.882 69 H LEU 8 HN LEU 8 23.186 2.866 5.026 70 HA LEU 8 HA LEU 8 23.315 1.779 7.729 71 HB2 LEU 8 HB2 LEU 8 24.994 3.274 8.498 72 HB3 LEU 8 HB3 LEU 8 25.624 2.454 7.084 73 HG LEU 8 HG LEU 8 24.405 5.194 6.887 74 HD11 LEU 8 HD11 LEU 8 27.285 4.504 7.457 75 HD12 LEU 8 HD12 LEU 8 26.675 6.108 7.046 76 HD13 LEU 8 HD13 LEU 8 26.174 5.332 8.548 77 HD21 LEU 8 HD21 LEU 8 25.902 5.304 4.908 78 HD22 LEU 8 HD22 LEU 8 26.334 3.617 5.189 79 HD23 LEU 8 HD23 LEU 8 24.671 4.046 4.792 80 H ASN 9 HN ASN 9 22.097 3.943 5.478 81 HA ASN 9 HA ASN 9 21.081 5.865 7.392 82 HB2 ASN 9 HB2 ASN 9 20.260 7.081 5.546 83 HB3 ASN 9 HB3 ASN 9 21.772 6.380 4.975 84 HD21 ASN 9 HD21 ASN 9 21.678 4.561 3.580 85 HD22 ASN 9 HD22 ASN 9 20.280 4.264 2.612 86 H LEU 10 HN LEU 10 19.918 3.113 5.558 87 HA LEU 10 HA LEU 10 17.755 2.661 7.337 88 HB2 LEU 10 HB2 LEU 10 16.780 4.533 6.083 89 HB3 LEU 10 HB3 LEU 10 17.048 3.671 4.580 90 HG LEU 10 HG LEU 10 15.474 1.909 5.350 91 HD11 LEU 10 HD11 LEU 10 14.954 3.818 7.623 92 HD12 LEU 10 HD12 LEU 10 14.032 2.359 7.264 93 HD13 LEU 10 HD13 LEU 10 15.719 2.236 7.755 94 HD21 LEU 10 HD21 LEU 10 14.721 3.722 3.900 95 HD22 LEU 10 HD22 LEU 10 13.448 3.227 5.016 96 HD23 LEU 10 HD23 LEU 10 14.357 4.709 5.315 97 H ARG 11 HN ARG 11 17.136 0.575 7.235 98 HA ARG 11 HA ARG 11 18.578 -1.221 5.581 99 HB2 ARG 11 HB2 ARG 11 16.132 -1.758 7.275 100 HB3 ARG 11 HB3 ARG 11 17.236 -2.971 6.641 101 HG2 ARG 11 HG2 ARG 11 19.043 -2.011 7.995 102 HG3 ARG 11 HG3 ARG 11 17.908 -0.828 8.645 103 HD2 ARG 11 HD2 ARG 11 18.213 -2.683 10.193 104 HD3 ARG 11 HD3 ARG 11 16.558 -2.632 9.588 105 HE ARG 11 HE ARG 11 17.838 -4.356 7.907 106 HH11 ARG 11 HH12 ARG 11 17.430 -4.157 11.361 107 HH12 ARG 11 HH11 ARG 11 17.481 -5.872 11.595 108 HH21 ARG 11 HH22 ARG 11 17.905 -6.615 8.207 109 HH22 ARG 11 HH21 ARG 11 17.750 -7.269 9.804 110 H THR 12 HN THR 12 18.158 -1.874 3.588 111 HA THR 12 HA THR 12 17.157 -2.060 1.552 112 HB THR 12 HB THR 12 14.965 -3.199 1.531 113 HG1 THR 12 HG1 THR 12 13.722 -3.230 3.262 114 HG21 THR 12 HG21 THR 12 16.918 -4.271 3.570 115 HG22 THR 12 HG22 THR 12 16.980 -4.529 1.827 116 HG23 THR 12 HG23 THR 12 15.657 -5.212 2.772 117 H ASP 13 HN ASP 13 17.109 0.062 0.849 118 HA ASP 13 HA ASP 13 14.774 1.692 1.491 119 HB2 ASP 13 HB2 ASP 13 17.044 2.700 1.567 120 HB3 ASP 13 HB3 ASP 13 17.207 2.401 -0.161 121 H ILE 14 HN ILE 14 13.026 1.254 0.313 122 HA ILE 14 HA ILE 14 13.219 1.430 -2.585 123 HB ILE 14 HB ILE 14 13.426 -0.960 -2.236 124 HG12 ILE 14 HG12 ILE 14 11.413 -1.742 -3.467 125 HG13 ILE 14 HG13 ILE 14 10.651 -0.184 -3.168 126 HG21 ILE 14 HG21 ILE 14 10.868 -0.749 -0.654 127 HG22 ILE 14 HG22 ILE 14 11.683 -2.251 -1.097 128 HG23 ILE 14 HG23 ILE 14 12.471 -1.106 -0.010 129 HD11 ILE 14 HD11 ILE 14 12.388 0.922 -4.469 130 HD12 ILE 14 HD12 ILE 14 13.169 -0.635 -4.750 131 HD13 ILE 14 HD13 ILE 14 11.566 -0.319 -5.415 132 H SER 15 HN SER 15 11.529 2.507 -3.438 133 HA SER 15 HA SER 15 9.215 3.000 -1.682 134 HB2 SER 15 HB2 SER 15 8.960 5.170 -2.832 135 HB3 SER 15 HB3 SER 15 10.534 5.028 -2.051 136 HG SER 15 HG SER 15 11.490 5.019 -3.944 137 H THR 16 HN THR 16 7.186 2.744 -2.467 138 HA THR 16 HA THR 16 6.959 1.652 -5.194 139 HB THR 16 HB THR 16 4.920 0.515 -4.442 140 HG1 THR 16 HG1 THR 16 4.794 0.531 -1.956 141 HG21 THR 16 HG21 THR 16 7.078 -0.646 -4.249 142 HG22 THR 16 HG22 THR 16 5.958 -1.140 -2.980 143 HG23 THR 16 HG23 THR 16 7.265 -0.015 -2.612 144 H SER 17 HN SER 17 6.796 4.499 -4.075 145 HA SER 17 HA SER 17 5.587 6.402 -4.374 146 HB2 SER 17 HB2 SER 17 4.561 6.676 -6.546 147 HB3 SER 17 HB3 SER 17 6.027 5.713 -6.738 148 HG SER 17 HG SER 17 4.140 4.902 -7.863 149 H SEP 18 HN SER 18 4.384 4.276 -2.734 150 HA SEP 18 HA SER 18 1.718 5.405 -2.599 151 HB2 SEP 18 HB2 SER 18 0.621 3.175 -2.550 152 HB3 SEP 18 HB3 SER 18 1.348 3.538 -4.115 153 H SER 19 HN SER 19 0.601 4.842 -0.604 154 HA SER 19 HA SER 19 2.013 3.425 1.458 155 HB2 SER 19 HB2 SER 19 2.256 5.349 2.986 156 HB3 SER 19 HB3 SER 19 3.230 5.553 1.530 157 HG SER 19 HG SER 19 0.759 6.578 1.182 158 H SER 20 HN SER 20 -0.649 5.442 0.425 159 HA SER 20 HA SER 20 -2.264 5.069 2.735 160 HB2 SER 20 HB2 SER 20 -4.101 5.936 1.319 161 HB3 SER 20 HB3 SER 20 -2.657 6.943 1.223 162 HG SER 20 HG SER 20 -3.794 5.262 -0.698 163 H ILE 21 HN ILE 21 -2.767 3.063 3.353 164 HA ILE 21 HA ILE 21 -3.602 0.949 3.353 165 HB ILE 21 HB ILE 21 -5.181 1.923 0.967 166 HG12 ILE 21 HG12 ILE 21 -5.952 1.815 3.892 167 HG13 ILE 21 HG13 ILE 21 -5.453 3.276 3.048 168 HG21 ILE 21 HG21 ILE 21 -5.606 -0.439 2.794 169 HG22 ILE 21 HG22 ILE 21 -6.758 0.124 1.583 170 HG23 ILE 21 HG23 ILE 21 -5.183 -0.491 1.084 171 HD11 ILE 21 HD11 ILE 21 -7.381 3.109 1.585 172 HD12 ILE 21 HD12 ILE 21 -7.867 1.610 2.376 173 HD13 ILE 21 HD13 ILE 21 -7.877 3.124 3.278 174 H SER 22 HN SER 22 -1.881 -0.329 2.894 175 HA SER 22 HA SER 22 -1.479 -1.046 0.064 176 HB2 SER 22 HB2 SER 22 0.870 -1.561 0.635 177 HB3 SER 22 HB3 SER 22 0.476 0.129 0.951 178 HG SER 22 HG SER 22 1.598 -1.396 2.626 179 H SER 23 HN SER 23 -0.197 -3.281 0.039 180 HA SER 23 HA SER 23 -1.341 -5.126 2.000 181 HB2 SER 23 HB2 SER 23 -2.085 -6.657 0.202 182 HB3 SER 23 HB3 SER 23 -2.946 -5.120 0.156 183 HG SER 23 HG SER 23 -1.041 -6.156 -1.607 184 H SER 24 HN SER 24 -0.006 -6.778 2.529 185 HA SER 24 HA SER 24 2.622 -6.802 1.268 186 HB2 SER 24 HB2 SER 24 2.540 -6.696 3.713 187 HB3 SER 24 HB3 SER 24 1.625 -8.204 3.759 188 HG SER 24 HG SER 24 4.274 -7.861 3.645 189 H GLU 25 HN GLU 25 -0.205 -8.824 1.663 190 HA GLU 25 HA GLU 25 0.692 -10.538 -0.471 191 HB2 GLU 25 HB2 GLU 25 0.607 -12.623 0.753 192 HB3 GLU 25 HB3 GLU 25 1.786 -11.557 1.499 193 HG2 GLU 25 HG2 GLU 25 0.140 -10.969 3.222 194 HG3 GLU 25 HG3 GLU 25 -1.007 -12.086 2.486 195 H GLU 26 HN GLU 26 -1.652 -8.877 1.003 196 HA GLU 26 HA GLU 26 -3.880 -10.635 0.870 197 HB2 GLU 26 HB2 GLU 26 -3.791 -7.614 0.770 198 HB3 GLU 26 HB3 GLU 26 -5.239 -8.578 1.020 199 HG2 GLU 26 HG2 GLU 26 -4.282 -9.460 3.095 200 HG3 GLU 26 HG3 GLU 26 -2.851 -8.461 2.848 201 H ASN 27 HN ASN 27 -5.320 -11.034 -0.746 202 HA ASN 27 HA ASN 27 -4.505 -10.173 -3.423 203 HB2 ASN 27 HB2 ASN 27 -6.440 -12.334 -2.560 204 HB3 ASN 27 HB3 ASN 27 -5.984 -11.984 -4.224 205 HD21 ASN 27 HD21 ASN 27 -4.929 -13.271 -1.174 206 HD22 ASN 27 HD22 ASN 27 -3.520 -14.072 -1.770 207 H ASP 28 HN ASP 28 -5.335 -8.084 -3.454 208 HA ASP 28 HA ASP 28 -7.978 -7.803 -4.382 209 HB2 ASP 28 HB2 ASP 28 -8.862 -6.372 -2.528 210 HB3 ASP 28 HB3 ASP 28 -8.676 -8.068 -2.091 211 H PHE 29 HN PHE 29 -7.618 -6.327 -5.901 212 HA PHE 29 HA PHE 29 -6.160 -3.886 -5.165 213 HB2 PHE 29 HB2 PHE 29 -5.873 -5.116 -7.891 214 HB3 PHE 29 HB3 PHE 29 -4.865 -3.890 -7.130 215 HD1 PHE 29 HD1 PHE 29 -3.200 -4.500 -5.479 216 HD2 PHE 29 HD2 PHE 29 -5.559 -7.452 -7.434 217 HE1 PHE 29 HE1 PHE 29 -1.632 -6.245 -4.725 218 HE2 PHE 29 HE2 PHE 29 -4.000 -9.203 -6.685 219 HZ PHE 29 HZ PHE 29 -2.037 -8.609 -5.342 220 H TRP 30 HN TRP 30 -8.421 -5.470 -7.308 221 HA TRP 30 HA TRP 30 -9.385 -2.915 -8.309 222 HB2 TRP 30 HB2 TRP 30 -9.850 -5.775 -9.075 223 HB3 TRP 30 HB3 TRP 30 -10.991 -4.535 -9.589 224 HD1 TRP 30 HD1 TRP 30 -7.873 -6.167 -10.657 225 HE1 TRP 30 HE1 TRP 30 -6.778 -4.857 -12.586 226 HE3 TRP 30 HE3 TRP 30 -10.575 -1.845 -10.330 227 HZ2 TRP 30 HZ2 TRP 30 -7.029 -2.320 -13.807 228 HZ3 TRP 30 HZ3 TRP 30 -10.088 -0.022 -11.914 229 HH2 TRP 30 HH2 TRP 30 -8.350 -0.256 -13.615 230 H GLN 31 HN GLN 31 -11.497 -5.643 -7.777 231 HA GLN 31 HA GLN 31 -12.692 -4.642 -5.390 232 HB2 GLN 31 HB2 GLN 31 -14.916 -4.142 -6.416 233 HB3 GLN 31 HB3 GLN 31 -13.655 -2.993 -6.847 234 HG2 GLN 31 HG2 GLN 31 -13.375 -4.091 -9.001 235 HG3 GLN 31 HG3 GLN 31 -14.617 -5.267 -8.569 236 HE21 GLN 31 HE21 GLN 31 -13.964 -1.988 -9.494 237 HE22 GLN 31 HE22 GLN 31 -15.597 -1.544 -9.848 238 HA PRO 32 HA PRO 32 -13.608 -9.061 -6.749 239 HB2 PRO 32 HB2 PRO 32 -11.831 -10.424 -5.267 240 HB3 PRO 32 HB3 PRO 32 -11.407 -9.747 -6.845 241 HG2 PRO 32 HG2 PRO 32 -10.792 -8.713 -4.111 242 HG3 PRO 32 HG3 PRO 32 -9.771 -8.735 -5.560 243 HD2 PRO 32 HD2 PRO 32 -11.176 -6.535 -4.665 244 HD3 PRO 32 HD3 PRO 32 -10.646 -6.777 -6.340 245 H LYS 33 HN LYS 33 -15.236 -10.029 -5.722 246 HA LYS 33 HA LYS 33 -15.262 -10.158 -2.810 247 HB2 LYS 33 HB2 LYS 33 -17.519 -9.275 -2.628 248 HB3 LYS 33 HB3 LYS 33 -16.467 -8.079 -3.374 249 HG2 LYS 33 HG2 LYS 33 -18.174 -9.908 -5.024 250 HG3 LYS 33 HG3 LYS 33 -18.805 -8.407 -4.349 251 HD2 LYS 33 HD2 LYS 33 -17.003 -7.169 -5.492 252 HD3 LYS 33 HD3 LYS 33 -16.442 -8.682 -6.206 253 HE2 LYS 33 HE2 LYS 33 -19.148 -7.414 -6.616 254 HE3 LYS 33 HE3 LYS 33 -17.822 -7.427 -7.778 255 HZ1 LYS 33 HZ1 LYS 33 -19.455 -9.135 -8.275 256 HZ2 LYS 33 HZ2 LYS 33 -19.239 -9.828 -6.747 257 HZ3 LYS 33 HZ3 LYS 33 -17.971 -9.838 -7.866 258 HA PRO 34 HA PRO 34 -16.898 -14.201 -3.432 259 HB2 PRO 34 HB2 PRO 34 -18.779 -14.358 -1.427 260 HB3 PRO 34 HB3 PRO 34 -17.043 -14.580 -1.186 261 HG2 PRO 34 HG2 PRO 34 -18.733 -12.165 -0.697 262 HG3 PRO 34 HG3 PRO 34 -17.398 -12.817 0.270 263 HD2 PRO 34 HD2 PRO 34 -17.079 -10.693 -1.349 264 HD3 PRO 34 HD3 PRO 34 -15.785 -11.880 -1.096 265 H THR 35 HN THR 35 -18.177 -14.748 -5.067 266 HA THR 35 HA THR 35 -20.303 -13.232 -6.047 267 HB THR 35 HB THR 35 -19.934 -16.205 -6.455 268 HG1 THR 35 HG1 THR 35 -18.152 -15.644 -7.439 269 HG21 THR 35 HG21 THR 35 -22.071 -15.300 -7.264 270 HG22 THR 35 HG22 THR 35 -21.032 -15.797 -8.600 271 HG23 THR 35 HG23 THR 35 -21.197 -14.087 -8.201 Start of MODEL 6 1 H1 GLU 1 H1 GLU 1 23.389 14.244 8.490 2 H2 GLU 1 H2 GLU 1 23.807 12.672 8.030 3 H3 GLU 1 H3 GLU 1 25.017 13.781 8.443 4 HA GLU 1 HA GLU 1 24.679 12.225 10.229 5 HB2 GLU 1 HB2 GLU 1 25.345 14.481 10.827 6 HB3 GLU 1 HB3 GLU 1 23.673 15.021 10.789 7 HG2 GLU 1 HG2 GLU 1 23.157 13.574 12.685 8 HG3 GLU 1 HG3 GLU 1 24.834 13.027 12.723 9 H LYS 2 HN LYS 2 21.735 14.000 9.380 10 HA LYS 2 HA LYS 2 20.182 11.971 10.845 11 HB2 LYS 2 HB2 LYS 2 18.387 13.654 10.999 12 HB3 LYS 2 HB3 LYS 2 19.869 14.178 11.789 13 HG2 LYS 2 HG2 LYS 2 20.419 15.537 9.821 14 HG3 LYS 2 HG3 LYS 2 18.899 15.044 9.075 15 HD2 LYS 2 HD2 LYS 2 17.654 16.071 10.907 16 HD3 LYS 2 HD3 LYS 2 19.168 16.536 11.684 17 HE2 LYS 2 HE2 LYS 2 19.727 17.932 9.753 18 HE3 LYS 2 HE3 LYS 2 18.210 17.470 8.981 19 HZ1 LYS 2 HZ1 LYS 2 18.513 18.999 11.508 20 HZ2 LYS 2 HZ2 LYS 2 17.034 18.473 10.879 21 HZ3 LYS 2 HZ3 LYS 2 17.961 19.599 10.024 22 H LEU 3 HN LEU 3 21.213 12.296 7.917 23 HA LEU 3 HA LEU 3 18.630 11.762 6.642 24 HB2 LEU 3 HB2 LEU 3 21.154 12.810 5.377 25 HB3 LEU 3 HB3 LEU 3 19.669 12.451 4.520 26 HG LEU 3 HG LEU 3 20.010 14.593 6.623 27 HD11 LEU 3 HD11 LEU 3 19.662 14.788 3.633 28 HD12 LEU 3 HD12 LEU 3 19.703 16.145 4.760 29 HD13 LEU 3 HD13 LEU 3 21.136 15.143 4.536 30 HD21 LEU 3 HD21 LEU 3 17.764 13.672 6.666 31 HD22 LEU 3 HD22 LEU 3 17.748 15.285 5.953 32 HD23 LEU 3 HD23 LEU 3 17.631 13.862 4.918 33 H LYS 4 HN LYS 4 18.306 9.833 5.752 34 HA LYS 4 HA LYS 4 20.607 8.006 5.554 35 HB2 LYS 4 HB2 LYS 4 17.681 7.343 5.924 36 HB3 LYS 4 HB3 LYS 4 19.002 6.184 5.865 37 HG2 LYS 4 HG2 LYS 4 19.763 6.730 7.956 38 HG3 LYS 4 HG3 LYS 4 19.082 8.357 7.896 39 HD2 LYS 4 HD2 LYS 4 17.813 7.046 9.461 40 HD3 LYS 4 HD3 LYS 4 16.815 7.354 8.038 41 HE2 LYS 4 HE2 LYS 4 16.576 5.046 8.763 42 HE3 LYS 4 HE3 LYS 4 17.362 5.119 7.186 43 HZ1 LYS 4 HZ1 LYS 4 18.768 4.765 9.778 44 HZ2 LYS 4 HZ2 LYS 4 19.489 4.781 8.249 45 HZ3 LYS 4 HZ3 LYS 4 18.432 3.530 8.672 46 H GLN 5 HN GLN 5 20.161 6.173 3.928 47 HA GLN 5 HA GLN 5 20.002 5.547 1.748 48 HB2 GLN 5 HB2 GLN 5 17.592 7.372 1.758 49 HB3 GLN 5 HB3 GLN 5 17.946 6.144 0.550 50 HG2 GLN 5 HG2 GLN 5 17.778 4.416 2.299 51 HG3 GLN 5 HG3 GLN 5 17.342 5.669 3.461 52 HE21 GLN 5 HE21 GLN 5 15.336 4.769 3.871 53 HE22 GLN 5 HE22 GLN 5 14.041 4.824 2.728 54 H ASP 6 HN ASP 6 21.788 6.352 0.772 55 HA ASP 6 HA ASP 6 21.487 8.942 -0.583 56 HB2 ASP 6 HB2 ASP 6 24.039 7.916 0.676 57 HB3 ASP 6 HB3 ASP 6 23.829 9.452 -0.158 58 H ILE 7 HN ILE 7 23.639 9.051 -2.112 59 HA ILE 7 HA ILE 7 23.193 6.919 -4.021 60 HB ILE 7 HB ILE 7 25.033 9.303 -4.261 61 HG12 ILE 7 HG12 ILE 7 22.707 10.008 -3.848 62 HG13 ILE 7 HG13 ILE 7 23.220 10.400 -5.485 63 HG21 ILE 7 HG21 ILE 7 25.579 7.592 -5.855 64 HG22 ILE 7 HG22 ILE 7 23.886 7.422 -6.318 65 HG23 ILE 7 HG23 ILE 7 24.759 8.908 -6.695 66 HD11 ILE 7 HD11 ILE 7 22.023 8.415 -6.307 67 HD12 ILE 7 HD12 ILE 7 21.467 8.095 -4.664 68 HD13 ILE 7 HD13 ILE 7 20.962 9.565 -5.496 69 H LEU 8 HN LEU 8 25.310 7.521 -1.484 70 HA LEU 8 HA LEU 8 27.226 5.549 -2.537 71 HB2 LEU 8 HB2 LEU 8 27.843 7.929 -0.781 72 HB3 LEU 8 HB3 LEU 8 28.992 6.682 -1.226 73 HG LEU 8 HG LEU 8 27.633 8.524 -3.194 74 HD11 LEU 8 HD11 LEU 8 29.810 9.635 -3.355 75 HD12 LEU 8 HD12 LEU 8 29.117 9.780 -1.740 76 HD13 LEU 8 HD13 LEU 8 30.417 8.627 -2.041 77 HD21 LEU 8 HD21 LEU 8 29.291 7.679 -4.767 78 HD22 LEU 8 HD22 LEU 8 29.934 6.604 -3.525 79 HD23 LEU 8 HD23 LEU 8 28.297 6.366 -4.134 80 H ASN 9 HN ASN 9 24.994 6.353 -0.191 81 HA ASN 9 HA ASN 9 26.172 4.566 1.812 82 HB2 ASN 9 HB2 ASN 9 25.475 6.781 2.620 83 HB3 ASN 9 HB3 ASN 9 23.836 6.478 2.050 84 HD21 ASN 9 HD21 ASN 9 22.957 6.713 4.087 85 HD22 ASN 9 HD22 ASN 9 23.158 5.525 5.326 86 H LEU 10 HN LEU 10 24.027 4.542 -0.723 87 HA LEU 10 HA LEU 10 23.016 1.955 -0.022 88 HB2 LEU 10 HB2 LEU 10 21.432 3.475 1.142 89 HB3 LEU 10 HB3 LEU 10 21.052 4.218 -0.399 90 HG LEU 10 HG LEU 10 20.176 2.040 -1.202 91 HD11 LEU 10 HD11 LEU 10 19.758 0.257 0.424 92 HD12 LEU 10 HD12 LEU 10 21.482 0.559 0.217 93 HD13 LEU 10 HD13 LEU 10 20.646 1.167 1.647 94 HD21 LEU 10 HD21 LEU 10 18.670 3.708 -0.266 95 HD22 LEU 10 HD22 LEU 10 18.130 2.078 0.139 96 HD23 LEU 10 HD23 LEU 10 18.945 3.065 1.353 97 H ARG 11 HN ARG 11 22.320 0.826 -1.795 98 HA ARG 11 HA ARG 11 23.394 1.311 -4.253 99 HB2 ARG 11 HB2 ARG 11 20.809 -0.166 -3.760 100 HB3 ARG 11 HB3 ARG 11 21.851 -0.341 -5.164 101 HG2 ARG 11 HG2 ARG 11 23.626 -1.222 -3.752 102 HG3 ARG 11 HG3 ARG 11 22.595 -1.035 -2.332 103 HD2 ARG 11 HD2 ARG 11 22.530 -3.330 -3.064 104 HD3 ARG 11 HD3 ARG 11 20.964 -2.580 -3.361 105 HE ARG 11 HE ARG 11 22.594 -2.385 -5.661 106 HH11 ARG 11 HH12 ARG 11 20.735 -4.683 -3.816 107 HH12 ARG 11 HH11 ARG 11 20.415 -5.708 -5.174 108 HH21 ARG 11 HH22 ARG 11 22.185 -3.732 -7.453 109 HH22 ARG 11 HH21 ARG 11 21.244 -5.173 -7.240 110 H THR 12 HN THR 12 19.894 1.258 -4.201 111 HA THR 12 HA THR 12 19.643 3.977 -5.137 112 HB THR 12 HB THR 12 18.948 1.707 -7.015 113 HG1 THR 12 HG1 THR 12 20.779 2.158 -8.009 114 HG21 THR 12 HG21 THR 12 18.680 4.697 -7.348 115 HG22 THR 12 HG22 THR 12 17.353 3.550 -7.159 116 HG23 THR 12 HG23 THR 12 18.370 3.492 -8.599 117 H ASP 13 HN ASP 13 18.080 4.493 -3.704 118 HA ASP 13 HA ASP 13 15.466 3.294 -4.057 119 HB2 ASP 13 HB2 ASP 13 16.885 3.225 -1.386 120 HB3 ASP 13 HB3 ASP 13 15.164 2.922 -1.602 121 H ILE 14 HN ILE 14 14.072 4.919 -4.180 122 HA ILE 14 HA ILE 14 14.000 7.031 -2.257 123 HB ILE 14 HB ILE 14 15.810 7.892 -3.666 124 HG12 ILE 14 HG12 ILE 14 14.757 10.081 -4.277 125 HG13 ILE 14 HG13 ILE 14 13.183 9.366 -3.948 126 HG21 ILE 14 HG21 ILE 14 13.799 7.780 -5.908 127 HG22 ILE 14 HG22 ILE 14 15.409 8.491 -6.000 128 HG23 ILE 14 HG23 ILE 14 15.225 6.755 -5.741 129 HD11 ILE 14 HD11 ILE 14 13.845 9.004 -1.622 130 HD12 ILE 14 HD12 ILE 14 15.413 9.739 -1.960 131 HD13 ILE 14 HD13 ILE 14 13.942 10.705 -2.079 132 H SER 15 HN SER 15 11.982 7.829 -2.093 133 HA SER 15 HA SER 15 9.742 8.046 -2.418 134 HB2 SER 15 HB2 SER 15 10.436 9.562 -4.192 135 HB3 SER 15 HB3 SER 15 10.611 8.212 -5.313 136 HG SER 15 HG SER 15 8.588 9.438 -5.436 137 H THR 16 HN THR 16 11.121 5.317 -2.705 138 HA THR 16 HA THR 16 8.990 3.919 -4.172 139 HB THR 16 HB THR 16 11.629 2.785 -3.226 140 HG1 THR 16 HG1 THR 16 11.155 3.162 -5.936 141 HG21 THR 16 HG21 THR 16 11.109 0.958 -4.779 142 HG22 THR 16 HG22 THR 16 9.564 1.720 -5.159 143 HG23 THR 16 HG23 THR 16 9.869 1.109 -3.533 144 H SER 17 HN SER 17 10.645 4.090 -1.063 145 HA SER 17 HA SER 17 8.454 2.505 0.103 146 HB2 SER 17 HB2 SER 17 10.062 1.505 1.682 147 HB3 SER 17 HB3 SER 17 10.474 1.114 0.012 148 HG SER 17 HG SER 17 11.764 3.288 0.444 149 H SEP 18 HN SER 18 8.053 2.921 2.376 150 HA SEP 18 HA SER 18 7.577 4.306 4.108 151 HB2 SEP 18 HB2 SER 18 10.334 5.337 3.422 152 HB3 SEP 18 HB3 SER 18 9.425 5.869 4.836 153 H SER 19 HN SER 19 7.226 5.168 1.138 154 HA SER 19 HA SER 19 6.753 8.028 1.651 155 HB2 SER 19 HB2 SER 19 6.917 6.598 -1.011 156 HB3 SER 19 HB3 SER 19 6.759 8.337 -0.764 157 HG SER 19 HG SER 19 8.977 6.974 -0.949 158 H SER 20 HN SER 20 5.323 5.435 -0.334 159 HA SER 20 HA SER 20 2.724 5.861 0.846 160 HB2 SER 20 HB2 SER 20 2.737 7.651 -0.821 161 HB3 SER 20 HB3 SER 20 3.191 6.503 -2.079 162 HG SER 20 HG SER 20 0.849 6.140 -0.549 163 H ILE 21 HN ILE 21 2.483 3.754 1.350 164 HA ILE 21 HA ILE 21 2.723 1.793 -0.838 165 HB ILE 21 HB ILE 21 2.955 1.284 2.133 166 HG12 ILE 21 HG12 ILE 21 5.344 0.601 1.325 167 HG13 ILE 21 HG13 ILE 21 4.988 1.644 -0.048 168 HG21 ILE 21 HG21 ILE 21 3.649 -0.977 1.463 169 HG22 ILE 21 HG22 ILE 21 1.998 -0.612 0.963 170 HG23 ILE 21 HG23 ILE 21 3.308 -0.571 -0.218 171 HD11 ILE 21 HD11 ILE 21 6.242 2.811 1.682 172 HD12 ILE 21 HD12 ILE 21 4.644 3.522 1.453 173 HD13 ILE 21 HD13 ILE 21 4.954 2.482 2.842 174 H SER 22 HN SER 22 0.977 0.609 -1.377 175 HA SER 22 HA SER 22 -1.218 0.224 0.447 176 HB2 SER 22 HB2 SER 22 -2.917 1.256 -1.040 177 HB3 SER 22 HB3 SER 22 -1.783 2.442 -0.393 178 HG SER 22 HG SER 22 -0.698 1.651 -2.606 179 H SER 23 HN SER 23 -1.938 -1.767 0.144 180 HA SER 23 HA SER 23 -1.418 -3.081 -2.428 181 HB2 SER 23 HB2 SER 23 -2.029 -4.264 0.292 182 HB3 SER 23 HB3 SER 23 -1.722 -5.197 -1.171 183 HG SER 23 HG SER 23 0.152 -4.943 0.145 184 H SER 24 HN SER 24 -3.087 -2.968 -3.774 185 HA SER 24 HA SER 24 -5.812 -2.915 -2.757 186 HB2 SER 24 HB2 SER 24 -6.434 -2.485 -5.115 187 HB3 SER 24 HB3 SER 24 -5.219 -1.345 -4.538 188 HG SER 24 HG SER 24 -4.148 -1.967 -6.234 189 H GLU 25 HN GLU 25 -3.753 -5.314 -3.157 190 HA GLU 25 HA GLU 25 -5.019 -7.146 -4.881 191 HB2 GLU 25 HB2 GLU 25 -3.283 -7.692 -2.464 192 HB3 GLU 25 HB3 GLU 25 -3.697 -8.866 -3.706 193 HG2 GLU 25 HG2 GLU 25 -2.117 -6.339 -4.138 194 HG3 GLU 25 HG3 GLU 25 -1.453 -7.967 -4.013 195 H GLU 26 HN GLU 26 -4.974 -7.213 -1.309 196 HA GLU 26 HA GLU 26 -7.083 -9.069 -1.095 197 HB2 GLU 26 HB2 GLU 26 -7.158 -8.404 1.288 198 HB3 GLU 26 HB3 GLU 26 -5.527 -8.753 0.732 199 HG2 GLU 26 HG2 GLU 26 -4.991 -6.432 0.621 200 HG3 GLU 26 HG3 GLU 26 -6.667 -5.979 0.933 201 H ASN 27 HN ASN 27 -9.253 -8.808 -0.560 202 HA ASN 27 HA ASN 27 -10.404 -6.161 -0.409 203 HB2 ASN 27 HB2 ASN 27 -11.945 -6.531 -2.320 204 HB3 ASN 27 HB3 ASN 27 -10.261 -6.420 -2.821 205 HD21 ASN 27 HD21 ASN 27 -9.190 -8.276 -3.524 206 HD22 ASN 27 HD22 ASN 27 -10.051 -9.692 -4.016 207 H ASP 28 HN ASP 28 -12.663 -6.194 0.169 208 HA ASP 28 HA ASP 28 -13.710 -8.796 1.015 209 HB2 ASP 28 HB2 ASP 28 -12.552 -7.791 2.963 210 HB3 ASP 28 HB3 ASP 28 -13.590 -6.374 2.828 211 H PHE 29 HN PHE 29 -15.498 -8.919 -0.177 212 HA PHE 29 HA PHE 29 -17.705 -7.232 0.316 213 HB2 PHE 29 HB2 PHE 29 -16.114 -5.914 -1.323 214 HB3 PHE 29 HB3 PHE 29 -16.842 -6.966 -2.533 215 HD1 PHE 29 HD1 PHE 29 -19.206 -6.781 -3.081 216 HD2 PHE 29 HD2 PHE 29 -17.390 -4.199 -0.228 217 HE1 PHE 29 HE1 PHE 29 -21.144 -5.273 -3.217 218 HE2 PHE 29 HE2 PHE 29 -19.326 -2.686 -0.358 219 HZ PHE 29 HZ PHE 29 -21.208 -3.223 -1.855 220 H TRP 30 HN TRP 30 -16.146 -9.674 -1.592 221 HA TRP 30 HA TRP 30 -18.690 -11.071 -1.851 222 HB2 TRP 30 HB2 TRP 30 -16.730 -10.592 -4.100 223 HB3 TRP 30 HB3 TRP 30 -17.995 -11.813 -4.155 224 HD1 TRP 30 HD1 TRP 30 -17.362 -8.224 -4.837 225 HE1 TRP 30 HE1 TRP 30 -19.548 -7.048 -5.519 226 HE3 TRP 30 HE3 TRP 30 -20.675 -11.881 -3.535 227 HZ2 TRP 30 HZ2 TRP 30 -22.319 -7.604 -5.505 228 HZ3 TRP 30 HZ3 TRP 30 -23.076 -11.487 -3.902 229 HH2 TRP 30 HH2 TRP 30 -23.880 -9.391 -4.866 230 H GLN 31 HN GLN 31 -18.562 -13.177 -1.516 231 HA GLN 31 HA GLN 31 -15.906 -14.373 -1.132 232 HB2 GLN 31 HB2 GLN 31 -17.076 -14.113 0.990 233 HB3 GLN 31 HB3 GLN 31 -18.482 -14.947 0.340 234 HG2 GLN 31 HG2 GLN 31 -17.339 -17.004 0.250 235 HG3 GLN 31 HG3 GLN 31 -15.781 -16.235 0.536 236 HE21 GLN 31 HE21 GLN 31 -18.727 -15.455 2.278 237 HE22 GLN 31 HE22 GLN 31 -18.211 -16.075 3.803 238 HA PRO 32 HA PRO 32 -17.977 -16.720 -4.533 239 HB2 PRO 32 HB2 PRO 32 -15.288 -16.913 -5.650 240 HB3 PRO 32 HB3 PRO 32 -16.738 -16.201 -6.357 241 HG2 PRO 32 HG2 PRO 32 -14.622 -14.715 -5.551 242 HG3 PRO 32 HG3 PRO 32 -16.292 -14.115 -5.511 243 HD2 PRO 32 HD2 PRO 32 -14.603 -15.188 -3.278 244 HD3 PRO 32 HD3 PRO 32 -15.716 -13.801 -3.288 245 H LYS 33 HN LYS 33 -17.762 -18.919 -5.151 246 HA LYS 33 HA LYS 33 -16.515 -20.558 -3.110 247 HB2 LYS 33 HB2 LYS 33 -18.213 -21.312 -5.499 248 HB3 LYS 33 HB3 LYS 33 -17.692 -22.419 -4.236 249 HG2 LYS 33 HG2 LYS 33 -19.074 -21.426 -2.635 250 HG3 LYS 33 HG3 LYS 33 -19.300 -19.969 -3.605 251 HD2 LYS 33 HD2 LYS 33 -20.619 -21.193 -5.215 252 HD3 LYS 33 HD3 LYS 33 -20.305 -22.709 -4.368 253 HE2 LYS 33 HE2 LYS 33 -21.756 -20.347 -3.182 254 HE3 LYS 33 HE3 LYS 33 -22.547 -21.751 -3.897 255 HZ1 LYS 33 HZ1 LYS 33 -22.407 -21.931 -1.491 256 HZ2 LYS 33 HZ2 LYS 33 -20.720 -21.812 -1.554 257 HZ3 LYS 33 HZ3 LYS 33 -21.501 -23.150 -2.234 258 HA PRO 34 HA PRO 34 -12.817 -21.768 -5.192 259 HB2 PRO 34 HB2 PRO 34 -13.671 -24.594 -4.779 260 HB3 PRO 34 HB3 PRO 34 -12.151 -23.803 -4.346 261 HG2 PRO 34 HG2 PRO 34 -13.959 -24.354 -2.478 262 HG3 PRO 34 HG3 PRO 34 -13.051 -22.829 -2.436 263 HD2 PRO 34 HD2 PRO 34 -15.874 -23.335 -3.279 264 HD3 PRO 34 HD3 PRO 34 -15.187 -21.951 -2.401 265 H THR 35 HN THR 35 -13.020 -21.264 -7.324 266 HA THR 35 HA THR 35 -14.827 -22.320 -9.147 267 HB THR 35 HB THR 35 -13.709 -20.376 -9.840 268 HG1 THR 35 HG1 THR 35 -13.949 -21.614 -11.646 269 HG21 THR 35 HG21 THR 35 -11.087 -21.834 -9.481 270 HG22 THR 35 HG22 THR 35 -11.728 -20.583 -8.415 271 HG23 THR 35 HG23 THR 35 -11.281 -20.184 -10.074 Start of MODEL 7 1 H1 GLU 1 H1 GLU 1 17.802 1.053 11.575 2 H2 GLU 1 H2 GLU 1 16.404 1.344 10.667 3 H3 GLU 1 H3 GLU 1 16.705 2.244 12.066 4 HA GLU 1 HA GLU 1 18.334 2.294 9.594 5 HB2 GLU 1 HB2 GLU 1 17.466 4.585 9.332 6 HB3 GLU 1 HB3 GLU 1 16.180 3.387 9.275 7 HG2 GLU 1 HG2 GLU 1 15.605 3.893 11.595 8 HG3 GLU 1 HG3 GLU 1 16.895 5.095 11.650 9 H LYS 2 HN LYS 2 20.135 3.631 9.637 10 HA LYS 2 HA LYS 2 20.801 5.108 12.032 11 HB2 LYS 2 HB2 LYS 2 21.474 2.727 12.503 12 HB3 LYS 2 HB3 LYS 2 22.610 2.848 11.167 13 HG2 LYS 2 HG2 LYS 2 23.792 4.640 12.304 14 HG3 LYS 2 HG3 LYS 2 22.630 4.579 13.629 15 HD2 LYS 2 HD2 LYS 2 23.299 2.225 14.040 16 HD3 LYS 2 HD3 LYS 2 24.538 2.398 12.794 17 HE2 LYS 2 HE2 LYS 2 25.578 4.198 14.078 18 HE3 LYS 2 HE3 LYS 2 24.334 4.040 15.316 19 HZ1 LYS 2 HZ1 LYS 2 25.097 1.761 15.700 20 HZ2 LYS 2 HZ2 LYS 2 26.323 2.888 15.985 21 HZ3 LYS 2 HZ3 LYS 2 26.330 1.974 14.562 22 H LEU 3 HN LEU 3 21.194 4.322 8.743 23 HA LEU 3 HA LEU 3 22.749 6.729 8.328 24 HB2 LEU 3 HB2 LEU 3 24.443 4.971 8.516 25 HB3 LEU 3 HB3 LEU 3 23.627 4.049 7.267 26 HG LEU 3 HG LEU 3 24.116 5.838 5.639 27 HD11 LEU 3 HD11 LEU 3 25.653 7.066 7.923 28 HD12 LEU 3 HD12 LEU 3 25.731 7.589 6.240 29 HD13 LEU 3 HD13 LEU 3 24.221 7.735 7.139 30 HD21 LEU 3 HD21 LEU 3 26.509 5.402 5.448 31 HD22 LEU 3 HD22 LEU 3 26.537 4.795 7.103 32 HD23 LEU 3 HD23 LEU 3 25.626 3.932 5.863 33 H LYS 4 HN LYS 4 22.044 7.824 6.620 34 HA LYS 4 HA LYS 4 20.169 6.476 4.802 35 HB2 LYS 4 HB2 LYS 4 20.454 9.438 5.317 36 HB3 LYS 4 HB3 LYS 4 19.189 8.650 4.387 37 HG2 LYS 4 HG2 LYS 4 18.126 9.055 6.385 38 HG3 LYS 4 HG3 LYS 4 18.691 7.401 6.610 39 HD2 LYS 4 HD2 LYS 4 19.168 8.622 8.611 40 HD3 LYS 4 HD3 LYS 4 20.696 8.328 7.782 41 HE2 LYS 4 HE2 LYS 4 20.568 10.609 6.831 42 HE3 LYS 4 HE3 LYS 4 19.102 10.887 7.770 43 HZ1 LYS 4 HZ1 LYS 4 21.029 11.796 8.888 44 HZ2 LYS 4 HZ2 LYS 4 21.790 10.286 8.880 45 HZ3 LYS 4 HZ3 LYS 4 20.387 10.519 9.793 46 H GLN 5 HN GLN 5 22.408 9.246 4.670 47 HA GLN 5 HA GLN 5 22.804 8.976 1.858 48 HB2 GLN 5 HB2 GLN 5 24.483 10.744 2.136 49 HB3 GLN 5 HB3 GLN 5 22.983 11.149 2.959 50 HG2 GLN 5 HG2 GLN 5 23.950 10.531 5.089 51 HG3 GLN 5 HG3 GLN 5 25.439 10.027 4.292 52 HE21 GLN 5 HE21 GLN 5 26.697 11.478 5.431 53 HE22 GLN 5 HE22 GLN 5 26.651 13.180 5.139 54 H ASP 6 HN ASP 6 24.528 8.141 0.736 55 HA ASP 6 HA ASP 6 26.864 7.134 2.056 56 HB2 ASP 6 HB2 ASP 6 25.203 5.336 2.516 57 HB3 ASP 6 HB3 ASP 6 24.985 5.133 0.781 58 H ILE 7 HN ILE 7 28.392 6.173 0.515 59 HA ILE 7 HA ILE 7 28.391 7.659 -1.943 60 HB ILE 7 HB ILE 7 30.370 5.518 -1.183 61 HG12 ILE 7 HG12 ILE 7 30.102 7.055 0.726 62 HG13 ILE 7 HG13 ILE 7 31.678 7.244 -0.034 63 HG21 ILE 7 HG21 ILE 7 30.566 6.340 -3.447 64 HG22 ILE 7 HG22 ILE 7 30.578 8.009 -2.871 65 HG23 ILE 7 HG23 ILE 7 31.919 6.931 -2.484 66 HD11 ILE 7 HD11 ILE 7 30.747 9.395 0.557 67 HD12 ILE 7 HD12 ILE 7 30.859 9.242 -1.197 68 HD13 ILE 7 HD13 ILE 7 29.300 9.055 -0.393 69 H LEU 8 HN LEU 8 26.996 4.789 -1.049 70 HA LEU 8 HA LEU 8 27.089 3.760 -3.807 71 HB2 LEU 8 HB2 LEU 8 26.781 2.198 -1.242 72 HB3 LEU 8 HB3 LEU 8 26.673 1.514 -2.853 73 HG LEU 8 HG LEU 8 29.143 2.857 -1.756 74 HD11 LEU 8 HD11 LEU 8 28.663 0.855 -0.473 75 HD12 LEU 8 HD12 LEU 8 28.469 -0.074 -1.960 76 HD13 LEU 8 HD13 LEU 8 30.047 0.587 -1.532 77 HD21 LEU 8 HD21 LEU 8 30.244 1.769 -3.661 78 HD22 LEU 8 HD22 LEU 8 28.679 1.172 -4.215 79 HD23 LEU 8 HD23 LEU 8 28.998 2.906 -4.182 80 H ASN 9 HN ASN 9 25.196 5.131 -1.434 81 HA ASN 9 HA ASN 9 22.727 4.083 -2.642 82 HB2 ASN 9 HB2 ASN 9 22.949 3.529 -0.248 83 HB3 ASN 9 HB3 ASN 9 23.109 5.241 0.129 84 HD21 ASN 9 HD21 ASN 9 21.301 5.245 1.440 85 HD22 ASN 9 HD22 ASN 9 19.696 5.131 0.812 86 H LEU 10 HN LEU 10 24.733 6.715 -2.447 87 HA LEU 10 HA LEU 10 24.601 8.861 -3.166 88 HB2 LEU 10 HB2 LEU 10 22.971 7.541 -4.831 89 HB3 LEU 10 HB3 LEU 10 21.789 8.582 -4.072 90 HG LEU 10 HG LEU 10 22.625 9.516 -6.181 91 HD11 LEU 10 HD11 LEU 10 23.510 11.114 -3.786 92 HD12 LEU 10 HD12 LEU 10 23.131 11.746 -5.387 93 HD13 LEU 10 HD13 LEU 10 21.861 11.019 -4.404 94 HD21 LEU 10 HD21 LEU 10 24.872 8.559 -6.124 95 HD22 LEU 10 HD22 LEU 10 24.921 10.306 -6.365 96 HD23 LEU 10 HD23 LEU 10 25.295 9.624 -4.783 97 H ARG 11 HN ARG 11 24.315 10.644 -2.003 98 HA ARG 11 HA ARG 11 22.990 10.696 0.417 99 HB2 ARG 11 HB2 ARG 11 23.685 13.042 -1.356 100 HB3 ARG 11 HB3 ARG 11 23.286 13.145 0.353 101 HG2 ARG 11 HG2 ARG 11 25.245 11.841 0.922 102 HG3 ARG 11 HG3 ARG 11 25.637 11.652 -0.789 103 HD2 ARG 11 HD2 ARG 11 25.908 14.072 -0.996 104 HD3 ARG 11 HD3 ARG 11 25.495 14.268 0.707 105 HE ARG 11 HE ARG 11 27.599 12.594 0.811 106 HH11 ARG 11 HH12 ARG 11 27.094 15.620 -0.849 107 HH12 ARG 11 HH11 ARG 11 28.758 16.088 -0.769 108 HH21 ARG 11 HH22 ARG 11 29.792 13.207 0.921 109 HH22 ARG 11 HH21 ARG 11 30.293 14.718 0.240 110 H THR 12 HN THR 12 21.654 11.045 -2.711 111 HA THR 12 HA THR 12 19.070 11.767 -1.512 112 HB THR 12 HB THR 12 18.509 13.051 -3.575 113 HG1 THR 12 HG1 THR 12 20.572 13.781 -4.688 114 HG21 THR 12 HG21 THR 12 20.889 14.061 -2.013 115 HG22 THR 12 HG22 THR 12 19.196 14.229 -1.552 116 HG23 THR 12 HG23 THR 12 19.806 15.058 -2.984 117 H ASP 13 HN ASP 13 18.126 9.795 -1.606 118 HA ASP 13 HA ASP 13 17.819 8.602 -4.282 119 HB2 ASP 13 HB2 ASP 13 17.780 6.374 -3.223 120 HB3 ASP 13 HB3 ASP 13 19.316 7.194 -2.961 121 H ILE 14 HN ILE 14 16.287 10.233 -1.959 122 HA ILE 14 HA ILE 14 13.919 8.703 -1.565 123 HB ILE 14 HB ILE 14 14.469 10.376 0.057 124 HG12 ILE 14 HG12 ILE 14 12.054 11.305 -1.513 125 HG13 ILE 14 HG13 ILE 14 12.065 9.955 -0.383 126 HG21 ILE 14 HG21 ILE 14 14.146 12.478 -2.076 127 HG22 ILE 14 HG22 ILE 14 14.630 12.722 -0.398 128 HG23 ILE 14 HG23 ILE 14 15.699 11.866 -1.510 129 HD11 ILE 14 HD11 ILE 14 12.500 12.862 0.253 130 HD12 ILE 14 HD12 ILE 14 11.122 11.857 0.702 131 HD13 ILE 14 HD13 ILE 14 12.709 11.549 1.410 132 H SER 15 HN SER 15 12.541 8.212 -3.120 133 HA SER 15 HA SER 15 11.255 10.206 -4.682 134 HB2 SER 15 HB2 SER 15 11.959 9.416 -6.913 135 HB3 SER 15 HB3 SER 15 13.318 10.067 -6.000 136 HG SER 15 HG SER 15 14.072 8.182 -6.764 137 H THR 16 HN THR 16 9.286 9.434 -4.247 138 HA THR 16 HA THR 16 7.495 8.036 -4.085 139 HB THR 16 HB THR 16 7.043 6.623 -6.001 140 HG1 THR 16 HG1 THR 16 8.989 6.767 -7.618 141 HG21 THR 16 HG21 THR 16 7.321 8.259 -7.806 142 HG22 THR 16 HG22 THR 16 8.481 9.150 -6.819 143 HG23 THR 16 HG23 THR 16 6.796 9.034 -6.311 144 H SER 17 HN SER 17 10.065 7.204 -2.754 145 HA SER 17 HA SER 17 10.062 4.328 -2.829 146 HB2 SER 17 HB2 SER 17 12.140 5.542 -2.382 147 HB3 SER 17 HB3 SER 17 11.431 6.251 -0.933 148 HG SER 17 HG SER 17 11.512 3.458 -1.226 149 H SEP 18 HN SER 18 9.447 6.648 -0.186 150 HA SEP 18 HA SER 18 8.084 4.660 1.376 151 HB2 SEP 18 HB2 SER 18 8.326 7.650 1.793 152 HB3 SEP 18 HB3 SER 18 7.716 6.495 2.979 153 H SER 19 HN SER 19 7.145 6.241 -1.298 154 HA SER 19 HA SER 19 4.384 6.670 -0.397 155 HB2 SER 19 HB2 SER 19 5.362 8.573 -1.548 156 HB3 SER 19 HB3 SER 19 5.783 7.559 -2.928 157 HG SER 19 HG SER 19 3.134 7.443 -2.233 158 H SER 20 HN SER 20 3.296 4.800 -0.499 159 HA SER 20 HA SER 20 3.571 3.153 -2.923 160 HB2 SER 20 HB2 SER 20 2.517 2.395 -0.188 161 HB3 SER 20 HB3 SER 20 2.618 1.313 -1.575 162 HG SER 20 HG SER 20 4.767 2.564 -0.211 163 H ILE 21 HN ILE 21 1.382 1.795 -3.176 164 HA ILE 21 HA ILE 21 -0.942 3.530 -2.850 165 HB ILE 21 HB ILE 21 -0.028 4.138 -5.042 166 HG12 ILE 21 HG12 ILE 21 -2.536 2.467 -5.325 167 HG13 ILE 21 HG13 ILE 21 -2.495 4.087 -4.633 168 HG21 ILE 21 HG21 ILE 21 -0.403 1.224 -5.728 169 HG22 ILE 21 HG22 ILE 21 0.047 2.499 -6.861 170 HG23 ILE 21 HG23 ILE 21 1.138 2.060 -5.546 171 HD11 ILE 21 HD11 ILE 21 -1.692 4.969 -6.765 172 HD12 ILE 21 HD12 ILE 21 -1.751 3.348 -7.454 173 HD13 ILE 21 HD13 ILE 21 -3.239 4.141 -6.937 174 H SER 22 HN SER 22 -2.891 2.449 -2.773 175 HA SER 22 HA SER 22 -4.326 0.729 -2.403 176 HB2 SER 22 HB2 SER 22 -3.865 0.219 -4.773 177 HB3 SER 22 HB3 SER 22 -2.499 -0.784 -4.286 178 HG SER 22 HG SER 22 -4.971 -1.338 -3.129 179 H SER 23 HN SER 23 -4.302 -1.785 -1.801 180 HA SER 23 HA SER 23 -1.985 -2.648 -0.343 181 HB2 SER 23 HB2 SER 23 -3.059 -2.659 1.881 182 HB3 SER 23 HB3 SER 23 -2.874 -1.020 1.258 183 HG SER 23 HG SER 23 -4.934 -1.106 1.962 184 H SER 24 HN SER 24 -2.420 -4.725 0.823 185 HA SER 24 HA SER 24 -3.892 -6.475 -0.879 186 HB2 SER 24 HB2 SER 24 -3.168 -8.244 0.683 187 HB3 SER 24 HB3 SER 24 -1.823 -7.207 0.210 188 HG SER 24 HG SER 24 -2.486 -6.018 2.257 189 H GLU 25 HN GLU 25 -5.453 -8.109 0.047 190 HA GLU 25 HA GLU 25 -7.110 -7.045 2.202 191 HB2 GLU 25 HB2 GLU 25 -9.168 -7.460 0.793 192 HB3 GLU 25 HB3 GLU 25 -8.203 -6.061 0.347 193 HG2 GLU 25 HG2 GLU 25 -8.813 -7.094 -1.667 194 HG3 GLU 25 HG3 GLU 25 -7.123 -7.516 -1.406 195 H GLU 26 HN GLU 26 -8.663 -8.577 3.032 196 HA GLU 26 HA GLU 26 -8.126 -11.375 2.321 197 HB2 GLU 26 HB2 GLU 26 -8.118 -10.200 5.104 198 HB3 GLU 26 HB3 GLU 26 -8.172 -11.925 4.772 199 HG2 GLU 26 HG2 GLU 26 -5.971 -10.094 3.849 200 HG3 GLU 26 HG3 GLU 26 -5.918 -11.053 5.327 201 H ASN 27 HN ASN 27 -10.344 -9.069 2.411 202 HA ASN 27 HA ASN 27 -12.509 -10.243 3.826 203 HB2 ASN 27 HB2 ASN 27 -13.896 -8.632 2.456 204 HB3 ASN 27 HB3 ASN 27 -12.600 -7.897 3.398 205 HD21 ASN 27 HD21 ASN 27 -12.566 -6.095 2.052 206 HD22 ASN 27 HD22 ASN 27 -11.882 -6.149 0.468 207 H ASP 28 HN ASP 28 -14.635 -10.240 2.100 208 HA ASP 28 HA ASP 28 -15.809 -11.564 0.679 209 HB2 ASP 28 HB2 ASP 28 -13.131 -11.625 -0.711 210 HB3 ASP 28 HB3 ASP 28 -14.563 -12.411 -1.371 211 H PHE 29 HN PHE 29 -16.466 -13.303 1.782 212 HA PHE 29 HA PHE 29 -14.656 -15.628 1.875 213 HB2 PHE 29 HB2 PHE 29 -16.868 -15.236 3.866 214 HB3 PHE 29 HB3 PHE 29 -15.407 -16.207 4.012 215 HD1 PHE 29 HD2 PHE 29 -16.800 -12.823 4.191 216 HD2 PHE 29 HD1 PHE 29 -13.338 -15.237 4.744 217 HE1 PHE 29 HE2 PHE 29 -15.715 -10.980 5.408 218 HE2 PHE 29 HE1 PHE 29 -12.246 -13.399 5.963 219 HZ PHE 29 HZ PHE 29 -13.434 -11.269 6.295 220 H TRP 30 HN TRP 30 -17.680 -14.350 0.959 221 HA TRP 30 HA TRP 30 -19.264 -16.671 0.882 222 HB2 TRP 30 HB2 TRP 30 -19.341 -14.056 -0.599 223 HB3 TRP 30 HB3 TRP 30 -20.486 -15.341 -0.972 224 HD1 TRP 30 HD1 TRP 30 -19.701 -12.692 1.617 225 HE1 TRP 30 HE1 TRP 30 -21.609 -12.616 3.347 226 HE3 TRP 30 HE3 TRP 30 -22.254 -16.878 0.187 227 HZ2 TRP 30 HZ2 TRP 30 -23.896 -14.135 4.017 228 HZ3 TRP 30 HZ3 TRP 30 -24.291 -17.502 1.424 229 HH2 TRP 30 HH2 TRP 30 -25.093 -16.158 3.298 230 H GLN 31 HN GLN 31 -18.490 -15.079 -2.147 231 HA GLN 31 HA GLN 31 -17.260 -17.537 -3.151 232 HB2 GLN 31 HB2 GLN 31 -19.558 -16.076 -4.466 233 HB3 GLN 31 HB3 GLN 31 -18.609 -17.337 -5.243 234 HG2 GLN 31 HG2 GLN 31 -19.329 -18.935 -3.555 235 HG3 GLN 31 HG3 GLN 31 -20.260 -17.675 -2.751 236 HE21 GLN 31 HE21 GLN 31 -22.178 -18.800 -2.998 237 HE22 GLN 31 HE22 GLN 31 -22.978 -18.944 -4.523 238 HA PRO 32 HA PRO 32 -15.035 -13.577 -4.320 239 HB2 PRO 32 HB2 PRO 32 -12.679 -15.058 -3.372 240 HB3 PRO 32 HB3 PRO 32 -13.244 -13.447 -2.926 241 HG2 PRO 32 HG2 PRO 32 -13.398 -15.514 -1.221 242 HG3 PRO 32 HG3 PRO 32 -14.638 -14.247 -1.270 243 HD2 PRO 32 HD2 PRO 32 -14.695 -16.999 -2.456 244 HD3 PRO 32 HD3 PRO 32 -15.969 -16.126 -1.577 245 H LYS 33 HN LYS 33 -15.230 -16.723 -5.323 246 HA LYS 33 HA LYS 33 -13.002 -16.976 -7.042 247 HB2 LYS 33 HB2 LYS 33 -15.740 -18.239 -7.287 248 HB3 LYS 33 HB3 LYS 33 -14.276 -18.780 -8.098 249 HG2 LYS 33 HG2 LYS 33 -13.297 -19.489 -6.073 250 HG3 LYS 33 HG3 LYS 33 -14.516 -18.653 -5.108 251 HD2 LYS 33 HD2 LYS 33 -16.232 -20.176 -5.979 252 HD3 LYS 33 HD3 LYS 33 -15.000 -21.020 -6.918 253 HE2 LYS 33 HE2 LYS 33 -15.507 -22.219 -4.855 254 HE3 LYS 33 HE3 LYS 33 -13.844 -21.636 -4.858 255 HZ1 LYS 33 HZ1 LYS 33 -16.125 -20.348 -3.460 256 HZ2 LYS 33 HZ2 LYS 33 -14.532 -19.783 -3.466 257 HZ3 LYS 33 HZ3 LYS 33 -14.903 -21.258 -2.724 258 HA PRO 34 HA PRO 34 -14.088 -14.421 -10.478 259 HB2 PRO 34 HB2 PRO 34 -13.128 -15.820 -12.586 260 HB3 PRO 34 HB3 PRO 34 -12.073 -15.020 -11.416 261 HG2 PRO 34 HG2 PRO 34 -12.878 -17.901 -11.578 262 HG3 PRO 34 HG3 PRO 34 -11.276 -17.204 -11.271 263 HD2 PRO 34 HD2 PRO 34 -12.860 -18.148 -9.287 264 HD3 PRO 34 HD3 PRO 34 -11.742 -16.789 -9.053 265 H THR 35 HN THR 35 -15.733 -17.149 -9.804 266 HA THR 35 HA THR 35 -17.575 -18.226 -10.601 267 HB THR 35 HB THR 35 -19.334 -16.763 -11.545 268 HG1 THR 35 HG1 THR 35 -18.140 -14.391 -11.225 269 HG21 THR 35 HG21 THR 35 -17.854 -15.587 -9.190 270 HG22 THR 35 HG22 THR 35 -19.047 -16.884 -9.127 271 HG23 THR 35 HG23 THR 35 -19.535 -15.261 -9.612 Start of MODEL 8 1 H1 GLU 1 H1 GLU 1 32.699 11.357 7.968 2 H2 GLU 1 H2 GLU 1 31.773 12.374 6.984 3 H3 GLU 1 H3 GLU 1 33.450 12.591 7.083 4 HA GLU 1 HA GLU 1 32.823 11.520 5.014 5 HB2 GLU 1 HB2 GLU 1 34.305 9.742 6.962 6 HB3 GLU 1 HB3 GLU 1 34.343 9.571 5.213 7 HG2 GLU 1 HG2 GLU 1 35.323 11.952 6.769 8 HG3 GLU 1 HG3 GLU 1 36.331 10.695 6.055 9 H LYS 2 HN LYS 2 31.489 10.103 7.874 10 HA LYS 2 HA LYS 2 30.375 7.811 6.513 11 HB2 LYS 2 HB2 LYS 2 31.048 7.659 8.870 12 HB3 LYS 2 HB3 LYS 2 29.865 8.890 9.291 13 HG2 LYS 2 HG2 LYS 2 28.068 7.389 8.532 14 HG3 LYS 2 HG3 LYS 2 29.277 6.146 8.195 15 HD2 LYS 2 HD2 LYS 2 28.861 7.409 10.902 16 HD3 LYS 2 HD3 LYS 2 28.110 5.895 10.394 17 HE2 LYS 2 HE2 LYS 2 31.082 6.406 10.487 18 HE3 LYS 2 HE3 LYS 2 30.164 5.563 11.733 19 HZ1 LYS 2 HZ1 LYS 2 31.233 4.013 10.228 20 HZ2 LYS 2 HZ2 LYS 2 30.435 4.702 8.905 21 HZ3 LYS 2 HZ3 LYS 2 29.550 3.893 10.096 22 H LEU 3 HN LEU 3 28.318 7.542 5.797 23 HA LEU 3 HA LEU 3 26.148 9.222 6.481 24 HB2 LEU 3 HB2 LEU 3 27.428 10.787 5.042 25 HB3 LEU 3 HB3 LEU 3 27.305 9.637 3.723 26 HG LEU 3 HG LEU 3 24.804 9.862 3.868 27 HD11 LEU 3 HD11 LEU 3 25.504 12.184 5.661 28 HD12 LEU 3 HD12 LEU 3 23.903 11.809 5.023 29 HD13 LEU 3 HD13 LEU 3 24.680 10.704 6.157 30 HD21 LEU 3 HD21 LEU 3 24.750 12.013 2.705 31 HD22 LEU 3 HD22 LEU 3 26.385 12.362 3.272 32 HD23 LEU 3 HD23 LEU 3 26.104 11.019 2.162 33 H LYS 4 HN LYS 4 24.272 8.217 6.014 34 HA LYS 4 HA LYS 4 24.440 5.756 4.436 35 HB2 LYS 4 HB2 LYS 4 22.243 6.699 6.288 36 HB3 LYS 4 HB3 LYS 4 22.348 5.118 5.526 37 HG2 LYS 4 HG2 LYS 4 23.166 4.604 7.581 38 HG3 LYS 4 HG3 LYS 4 24.670 5.058 6.778 39 HD2 LYS 4 HD2 LYS 4 24.372 7.365 7.678 40 HD3 LYS 4 HD3 LYS 4 22.985 6.774 8.596 41 HE2 LYS 4 HE2 LYS 4 24.458 5.144 9.714 42 HE3 LYS 4 HE3 LYS 4 25.834 5.814 8.839 43 HZ1 LYS 4 HZ1 LYS 4 25.384 7.959 9.904 44 HZ2 LYS 4 HZ2 LYS 4 25.719 6.749 11.040 45 HZ3 LYS 4 HZ3 LYS 4 24.124 7.258 10.791 46 H GLN 5 HN GLN 5 23.626 5.670 2.449 47 HA GLN 5 HA GLN 5 21.368 7.380 1.743 48 HB2 GLN 5 HB2 GLN 5 22.515 8.004 -0.407 49 HB3 GLN 5 HB3 GLN 5 23.187 8.742 1.040 50 HG2 GLN 5 HG2 GLN 5 25.027 7.203 1.043 51 HG3 GLN 5 HG3 GLN 5 24.319 6.293 -0.290 52 HE21 GLN 5 HE21 GLN 5 24.305 9.787 -0.104 53 HE22 GLN 5 HE22 GLN 5 25.401 10.052 -1.411 54 H ASP 6 HN ASP 6 23.567 4.790 0.752 55 HA ASP 6 HA ASP 6 21.343 3.595 -0.771 56 HB2 ASP 6 HB2 ASP 6 23.277 4.275 -2.173 57 HB3 ASP 6 HB3 ASP 6 24.307 3.198 -1.232 58 H ILE 7 HN ILE 7 20.448 2.205 0.662 59 HA ILE 7 HA ILE 7 22.199 0.099 1.733 60 HB ILE 7 HB ILE 7 19.937 1.414 3.244 61 HG12 ILE 7 HG12 ILE 7 21.995 2.781 3.143 62 HG13 ILE 7 HG13 ILE 7 21.654 2.216 4.774 63 HG21 ILE 7 HG21 ILE 7 20.660 -0.037 5.115 64 HG22 ILE 7 HG22 ILE 7 20.018 -0.941 3.743 65 HG23 ILE 7 HG23 ILE 7 21.760 -0.862 4.010 66 HD11 ILE 7 HD11 ILE 7 24.033 2.091 4.210 67 HD12 ILE 7 HD12 ILE 7 23.350 0.505 4.566 68 HD13 ILE 7 HD13 ILE 7 23.654 0.981 2.894 69 H LEU 8 HN LEU 8 18.839 1.040 1.098 70 HA LEU 8 HA LEU 8 18.327 -1.556 -0.076 71 HB2 LEU 8 HB2 LEU 8 17.809 -1.627 2.426 72 HB3 LEU 8 HB3 LEU 8 16.494 -0.522 2.076 73 HG LEU 8 HG LEU 8 15.534 -2.206 0.524 74 HD11 LEU 8 HD11 LEU 8 17.742 -3.318 0.102 75 HD12 LEU 8 HD12 LEU 8 17.577 -4.084 1.681 76 HD13 LEU 8 HD13 LEU 8 16.393 -4.413 0.413 77 HD21 LEU 8 HD21 LEU 8 14.752 -2.046 2.829 78 HD22 LEU 8 HD22 LEU 8 14.729 -3.718 2.268 79 HD23 LEU 8 HD23 LEU 8 16.013 -3.166 3.344 80 H ASN 9 HN ASN 9 17.825 1.754 0.197 81 HA ASN 9 HA ASN 9 15.315 1.888 -1.204 82 HB2 ASN 9 HB2 ASN 9 17.346 4.048 -0.596 83 HB3 ASN 9 HB3 ASN 9 15.733 4.324 -1.245 84 HD21 ASN 9 HD21 ASN 9 16.930 5.289 1.219 85 HD22 ASN 9 HD22 ASN 9 15.914 4.735 2.502 86 H LEU 10 HN LEU 10 18.725 2.296 -1.984 87 HA LEU 10 HA LEU 10 19.858 2.350 -3.956 88 HB2 LEU 10 HB2 LEU 10 18.545 0.231 -4.274 89 HB3 LEU 10 HB3 LEU 10 17.348 1.166 -5.148 90 HG LEU 10 HG LEU 10 19.067 1.742 -6.837 91 HD11 LEU 10 HD11 LEU 10 20.794 -0.167 -5.269 92 HD12 LEU 10 HD12 LEU 10 21.181 0.505 -6.852 93 HD13 LEU 10 HD13 LEU 10 21.052 1.568 -5.452 94 HD21 LEU 10 HD21 LEU 10 19.151 -0.448 -7.889 95 HD22 LEU 10 HD22 LEU 10 18.730 -1.214 -6.358 96 HD23 LEU 10 HD23 LEU 10 17.567 -0.163 -7.166 97 H ARG 11 HN ARG 11 17.745 4.467 -3.169 98 HA ARG 11 HA ARG 11 17.284 5.677 -5.790 99 HB2 ARG 11 HB2 ARG 11 16.307 6.648 -3.105 100 HB3 ARG 11 HB3 ARG 11 15.755 7.170 -4.690 101 HG2 ARG 11 HG2 ARG 11 14.848 4.949 -5.110 102 HG3 ARG 11 HG3 ARG 11 15.390 4.427 -3.515 103 HD2 ARG 11 HD2 ARG 11 13.949 6.114 -2.478 104 HD3 ARG 11 HD3 ARG 11 13.409 6.631 -4.074 105 HE ARG 11 HE ARG 11 12.984 3.836 -3.541 106 HH11 ARG 11 HH12 ARG 11 11.665 7.047 -3.248 107 HH12 ARG 11 HH11 ARG 11 10.024 6.504 -3.153 108 HH21 ARG 11 HH22 ARG 11 10.828 3.111 -3.415 109 HH22 ARG 11 HH21 ARG 11 9.547 4.266 -3.249 110 H THR 12 HN THR 12 17.612 7.641 -2.950 111 HA THR 12 HA THR 12 20.310 8.475 -3.591 112 HB THR 12 HB THR 12 18.032 10.454 -3.794 113 HG1 THR 12 HG1 THR 12 18.184 9.204 -5.676 114 HG21 THR 12 HG21 THR 12 20.024 11.462 -2.831 115 HG22 THR 12 HG22 THR 12 19.794 12.038 -4.483 116 HG23 THR 12 HG23 THR 12 21.011 10.809 -4.138 117 H ASP 13 HN ASP 13 17.746 10.329 -2.011 118 HA ASP 13 HA ASP 13 18.386 9.531 0.633 119 HB2 ASP 13 HB2 ASP 13 20.437 10.816 0.162 120 HB3 ASP 13 HB3 ASP 13 19.458 12.226 -0.237 121 H ILE 14 HN ILE 14 16.099 9.393 0.615 122 HA ILE 14 HA ILE 14 14.804 11.710 1.621 123 HB ILE 14 HB ILE 14 14.715 12.349 -0.726 124 HG12 ILE 14 HG12 ILE 14 12.240 12.574 -0.957 125 HG13 ILE 14 HG13 ILE 14 12.047 11.454 0.387 126 HG21 ILE 14 HG21 ILE 14 14.875 10.146 -1.737 127 HG22 ILE 14 HG22 ILE 14 13.257 9.747 -1.159 128 HG23 ILE 14 HG23 ILE 14 13.475 11.017 -2.363 129 HD11 ILE 14 HD11 ILE 14 13.234 13.025 1.845 130 HD12 ILE 14 HD12 ILE 14 13.381 14.148 0.494 131 HD13 ILE 14 HD13 ILE 14 11.787 13.739 1.132 132 H SER 15 HN SER 15 14.366 8.529 0.115 133 HA SER 15 HA SER 15 13.024 6.762 0.618 134 HB2 SER 15 HB2 SER 15 13.117 7.967 3.394 135 HB3 SER 15 HB3 SER 15 12.615 6.322 3.007 136 HG SER 15 HG SER 15 15.009 6.815 1.908 137 H THR 16 HN THR 16 11.208 7.202 -0.568 138 HA THR 16 HA THR 16 8.998 8.498 0.892 139 HB THR 16 HB THR 16 9.495 8.591 -2.091 140 HG1 THR 16 HG1 THR 16 10.105 10.677 -1.747 141 HG21 THR 16 HG21 THR 16 7.328 9.859 -0.410 142 HG22 THR 16 HG22 THR 16 7.113 8.548 -1.570 143 HG23 THR 16 HG23 THR 16 7.594 10.151 -2.129 144 H SER 17 HN SER 17 7.500 7.066 1.417 145 HA SER 17 HA SER 17 7.155 4.659 -0.218 146 HB2 SER 17 HB2 SER 17 6.114 5.335 2.545 147 HB3 SER 17 HB3 SER 17 5.861 3.800 1.715 148 HG SER 17 HG SER 17 7.792 4.257 3.278 149 H SEP 18 HN SER 18 6.116 7.490 -0.720 150 HA SEP 18 HA SER 18 4.287 8.466 -1.644 151 HB2 SEP 18 HB2 SER 18 4.255 6.496 -3.100 152 HB3 SEP 18 HB3 SER 18 3.318 5.607 -1.900 153 H SER 19 HN SER 19 1.803 8.643 -1.411 154 HA SER 19 HA SER 19 1.241 9.047 1.333 155 HB2 SER 19 HB2 SER 19 0.246 10.481 -0.348 156 HB3 SER 19 HB3 SER 19 -0.587 9.107 -1.076 157 HG SER 19 HG SER 19 -2.106 9.354 0.341 158 H SER 20 HN SER 20 -0.159 6.781 -1.038 159 HA SER 20 HA SER 20 -0.628 4.881 1.132 160 HB2 SER 20 HB2 SER 20 -2.795 5.779 -0.783 161 HB3 SER 20 HB3 SER 20 -2.943 4.456 0.375 162 HG SER 20 HG SER 20 -2.700 5.947 2.044 163 H ILE 21 HN ILE 21 0.029 2.920 0.563 164 HA ILE 21 HA ILE 21 -0.010 2.178 -2.285 165 HB ILE 21 HB ILE 21 2.304 2.782 -1.432 166 HG12 ILE 21 HG12 ILE 21 3.376 0.758 -2.454 167 HG13 ILE 21 HG13 ILE 21 1.792 -0.008 -2.486 168 HG21 ILE 21 HG21 ILE 21 1.973 0.211 0.106 169 HG22 ILE 21 HG22 ILE 21 3.466 1.134 -0.060 170 HG23 ILE 21 HG23 ILE 21 2.092 1.828 0.800 171 HD11 ILE 21 HD11 ILE 21 2.339 0.903 -4.651 172 HD12 ILE 21 HD12 ILE 21 0.977 1.778 -3.951 173 HD13 ILE 21 HD13 ILE 21 2.585 2.499 -3.942 174 H SER 22 HN SER 22 -1.498 1.616 0.412 175 HA SER 22 HA SER 22 -1.231 -1.262 0.621 176 HB2 SER 22 HB2 SER 22 -3.122 0.653 2.011 177 HB3 SER 22 HB3 SER 22 -2.940 -1.059 2.395 178 HG SER 22 HG SER 22 -1.017 1.000 2.679 179 H SER 23 HN SER 23 -2.997 -2.731 0.342 180 HA SER 23 HA SER 23 -4.995 -1.803 -1.617 181 HB2 SER 23 HB2 SER 23 -3.343 -3.286 -2.659 182 HB3 SER 23 HB3 SER 23 -3.672 -4.521 -1.445 183 HG SER 23 HG SER 23 -5.909 -3.612 -2.745 184 H SER 24 HN SER 24 -6.983 -3.181 -1.676 185 HA SER 24 HA SER 24 -7.659 -4.789 0.576 186 HB2 SER 24 HB2 SER 24 -7.744 -2.597 1.681 187 HB3 SER 24 HB3 SER 24 -8.864 -2.011 0.452 188 HG SER 24 HG SER 24 -9.412 -4.270 2.066 189 H GLU 25 HN GLU 25 -8.030 -3.844 -2.517 190 HA GLU 25 HA GLU 25 -10.856 -4.405 -2.815 191 HB2 GLU 25 HB2 GLU 25 -9.759 -2.710 -4.229 192 HB3 GLU 25 HB3 GLU 25 -8.722 -3.954 -4.910 193 HG2 GLU 25 HG2 GLU 25 -10.551 -3.385 -6.411 194 HG3 GLU 25 HG3 GLU 25 -10.645 -5.065 -5.881 195 H GLU 26 HN GLU 26 -8.091 -5.755 -4.602 196 HA GLU 26 HA GLU 26 -9.475 -8.248 -4.967 197 HB2 GLU 26 HB2 GLU 26 -7.873 -7.102 -6.619 198 HB3 GLU 26 HB3 GLU 26 -6.579 -7.735 -5.615 199 HG2 GLU 26 HG2 GLU 26 -8.694 -9.416 -6.940 200 HG3 GLU 26 HG3 GLU 26 -7.083 -9.128 -7.590 201 H ASN 27 HN ASN 27 -9.674 -9.514 -3.219 202 HA ASN 27 HA ASN 27 -7.235 -10.110 -1.677 203 HB2 ASN 27 HB2 ASN 27 -10.093 -9.971 -0.695 204 HB3 ASN 27 HB3 ASN 27 -8.744 -10.577 0.260 205 HD21 ASN 27 HD21 ASN 27 -8.987 -9.002 1.822 206 HD22 ASN 27 HD22 ASN 27 -8.561 -7.351 1.552 207 H ASP 28 HN ASP 28 -6.894 -12.250 -1.044 208 HA ASP 28 HA ASP 28 -8.758 -14.277 -2.013 209 HB2 ASP 28 HB2 ASP 28 -6.924 -15.531 -3.117 210 HB3 ASP 28 HB3 ASP 28 -7.239 -13.978 -3.885 211 H PHE 29 HN PHE 29 -9.108 -15.640 -0.406 212 HA PHE 29 HA PHE 29 -7.083 -16.996 0.997 213 HB2 PHE 29 HB2 PHE 29 -6.789 -14.829 2.125 214 HB3 PHE 29 HB3 PHE 29 -8.489 -14.839 2.587 215 HD1 PHE 29 HD1 PHE 29 -5.260 -16.579 3.063 216 HD2 PHE 29 HD2 PHE 29 -9.218 -15.974 4.509 217 HE1 PHE 29 HE1 PHE 29 -4.686 -17.787 5.127 218 HE2 PHE 29 HE2 PHE 29 -8.648 -17.179 6.577 219 HZ PHE 29 HZ PHE 29 -6.380 -18.080 6.892 220 H TRP 30 HN TRP 30 -10.401 -15.973 0.765 221 HA TRP 30 HA TRP 30 -11.258 -18.408 2.165 222 HB2 TRP 30 HB2 TRP 30 -12.633 -15.779 1.668 223 HB3 TRP 30 HB3 TRP 30 -13.538 -17.218 2.134 224 HD1 TRP 30 HD1 TRP 30 -11.527 -14.418 3.571 225 HE1 TRP 30 HE1 TRP 30 -11.271 -14.743 6.113 226 HE3 TRP 30 HE3 TRP 30 -13.225 -19.221 3.940 227 HZ2 TRP 30 HZ2 TRP 30 -11.734 -16.772 8.023 228 HZ3 TRP 30 HZ3 TRP 30 -13.290 -20.285 6.162 229 HH2 TRP 30 HH2 TRP 30 -12.558 -19.083 8.159 230 H GLN 31 HN GLN 31 -13.391 -16.695 0.014 231 HA GLN 31 HA GLN 31 -13.035 -18.685 -2.085 232 HB2 GLN 31 HB2 GLN 31 -15.649 -18.197 -0.648 233 HB3 GLN 31 HB3 GLN 31 -15.506 -19.084 -2.161 234 HG2 GLN 31 HG2 GLN 31 -14.102 -20.744 -1.073 235 HG3 GLN 31 HG3 GLN 31 -14.202 -19.847 0.441 236 HE21 GLN 31 HE21 GLN 31 -16.105 -19.874 1.618 237 HE22 GLN 31 HE22 GLN 31 -17.364 -21.021 1.319 238 HA PRO 32 HA PRO 32 -13.864 -14.341 -3.586 239 HB2 PRO 32 HB2 PRO 32 -11.528 -14.771 -5.283 240 HB3 PRO 32 HB3 PRO 32 -11.829 -13.491 -4.107 241 HG2 PRO 32 HG2 PRO 32 -9.985 -15.436 -3.719 242 HG3 PRO 32 HG3 PRO 32 -10.860 -14.655 -2.389 243 HD2 PRO 32 HD2 PRO 32 -11.325 -17.325 -3.659 244 HD3 PRO 32 HD3 PRO 32 -11.414 -16.859 -1.947 245 H LYS 33 HN LYS 33 -15.010 -13.893 -5.385 246 HA LYS 33 HA LYS 33 -14.827 -15.672 -7.696 247 HB2 LYS 33 HB2 LYS 33 -17.277 -15.898 -7.813 248 HB3 LYS 33 HB3 LYS 33 -16.623 -16.623 -6.352 249 HG2 LYS 33 HG2 LYS 33 -17.654 -13.822 -6.294 250 HG3 LYS 33 HG3 LYS 33 -18.773 -15.185 -6.226 251 HD2 LYS 33 HD2 LYS 33 -17.546 -16.059 -4.272 252 HD3 LYS 33 HD3 LYS 33 -16.486 -14.650 -4.329 253 HE2 LYS 33 HE2 LYS 33 -18.258 -14.391 -2.656 254 HE3 LYS 33 HE3 LYS 33 -18.379 -13.181 -3.932 255 HZ1 LYS 33 HZ1 LYS 33 -20.540 -14.113 -3.374 256 HZ2 LYS 33 HZ2 LYS 33 -19.995 -15.668 -3.759 257 HZ3 LYS 33 HZ3 LYS 33 -20.118 -14.493 -4.968 258 HA PRO 34 HA PRO 34 -15.207 -12.030 -10.138 259 HB2 PRO 34 HB2 PRO 34 -17.119 -12.750 -11.999 260 HB3 PRO 34 HB3 PRO 34 -15.406 -13.167 -12.100 261 HG2 PRO 34 HG2 PRO 34 -17.705 -14.806 -11.112 262 HG3 PRO 34 HG3 PRO 34 -16.317 -15.301 -12.101 263 HD2 PRO 34 HD2 PRO 34 -16.425 -15.858 -9.484 264 HD3 PRO 34 HD3 PRO 34 -14.893 -15.410 -10.268 265 H THR 35 HN THR 35 -17.850 -13.262 -8.428 266 HA THR 35 HA THR 35 -19.096 -10.630 -8.379 267 HB THR 35 HB THR 35 -21.382 -11.628 -8.627 268 HG1 THR 35 HG1 THR 35 -20.528 -13.790 -10.057 269 HG21 THR 35 HG21 THR 35 -20.306 -10.430 -10.482 270 HG22 THR 35 HG22 THR 35 -21.319 -11.750 -11.068 271 HG23 THR 35 HG23 THR 35 -19.565 -11.937 -11.021 Start of MODEL 9 1 H1 GLU 1 H1 GLU 1 15.312 10.649 3.820 2 H2 GLU 1 H2 GLU 1 15.017 12.301 4.026 3 H3 GLU 1 H3 GLU 1 13.925 11.350 3.149 4 HA GLU 1 HA GLU 1 14.499 11.173 6.048 5 HB2 GLU 1 HB2 GLU 1 12.073 12.070 4.486 6 HB3 GLU 1 HB3 GLU 1 12.048 11.739 6.212 7 HG2 GLU 1 HG2 GLU 1 12.257 14.077 5.954 8 HG3 GLU 1 HG3 GLU 1 13.828 13.477 6.480 9 H LYS 2 HN LYS 2 13.139 9.654 7.194 10 HA LYS 2 HA LYS 2 12.349 7.558 7.572 11 HB2 LYS 2 HB2 LYS 2 10.399 8.334 6.355 12 HB3 LYS 2 HB3 LYS 2 11.172 7.969 4.818 13 HG2 LYS 2 HG2 LYS 2 11.177 5.581 5.417 14 HG3 LYS 2 HG3 LYS 2 10.331 5.977 6.915 15 HD2 LYS 2 HD2 LYS 2 8.446 6.840 5.662 16 HD3 LYS 2 HD3 LYS 2 9.300 6.569 4.142 17 HE2 LYS 2 HE2 LYS 2 7.672 4.800 4.571 18 HE3 LYS 2 HE3 LYS 2 9.318 4.171 4.565 19 HZ1 LYS 2 HZ1 LYS 2 8.047 3.254 6.393 20 HZ2 LYS 2 HZ2 LYS 2 7.711 4.801 6.984 21 HZ3 LYS 2 HZ3 LYS 2 9.300 4.222 6.988 22 H LEU 3 HN LEU 3 14.163 6.347 7.722 23 HA LEU 3 HA LEU 3 15.664 4.722 7.223 24 HB2 LEU 3 HB2 LEU 3 13.683 3.607 6.234 25 HB3 LEU 3 HB3 LEU 3 14.055 4.358 4.695 26 HG LEU 3 HG LEU 3 16.210 3.130 4.650 27 HD11 LEU 3 HD11 LEU 3 15.120 1.812 7.131 28 HD12 LEU 3 HD12 LEU 3 16.529 1.264 6.222 29 HD13 LEU 3 HD13 LEU 3 16.555 2.833 7.027 30 HD21 LEU 3 HD21 LEU 3 15.240 0.927 4.180 31 HD22 LEU 3 HD22 LEU 3 13.743 1.426 4.969 32 HD23 LEU 3 HD23 LEU 3 14.275 2.232 3.492 33 H LYS 4 HN LYS 4 17.667 4.619 6.314 34 HA LYS 4 HA LYS 4 18.270 6.679 4.307 35 HB2 LYS 4 HB2 LYS 4 20.181 5.329 6.220 36 HB3 LYS 4 HB3 LYS 4 20.529 6.702 5.177 37 HG2 LYS 4 HG2 LYS 4 18.606 6.678 7.496 38 HG3 LYS 4 HG3 LYS 4 20.213 7.412 7.476 39 HD2 LYS 4 HD2 LYS 4 19.463 8.911 5.659 40 HD3 LYS 4 HD3 LYS 4 17.849 8.207 5.773 41 HE2 LYS 4 HE2 LYS 4 17.929 10.297 6.991 42 HE3 LYS 4 HE3 LYS 4 17.712 8.954 8.113 43 HZ1 LYS 4 HZ1 LYS 4 20.275 10.345 7.546 44 HZ2 LYS 4 HZ2 LYS 4 20.081 9.041 8.607 45 HZ3 LYS 4 HZ3 LYS 4 19.337 10.521 8.944 46 H GLN 5 HN GLN 5 20.110 6.179 2.838 47 HA GLN 5 HA GLN 5 19.617 3.685 1.517 48 HB2 GLN 5 HB2 GLN 5 21.290 4.482 -0.113 49 HB3 GLN 5 HB3 GLN 5 20.046 5.681 0.207 50 HG2 GLN 5 HG2 GLN 5 21.549 6.898 1.659 51 HG3 GLN 5 HG3 GLN 5 22.791 5.667 1.437 52 HE21 GLN 5 HE21 GLN 5 21.066 8.302 -0.035 53 HE22 GLN 5 HE22 GLN 5 22.137 8.524 -1.371 54 H ASP 6 HN ASP 6 21.444 2.274 0.805 55 HA ASP 6 HA ASP 6 23.740 2.155 2.563 56 HB2 ASP 6 HB2 ASP 6 23.295 -0.015 3.475 57 HB3 ASP 6 HB3 ASP 6 21.866 0.969 3.769 58 H ILE 7 HN ILE 7 24.405 -0.557 1.955 59 HA ILE 7 HA ILE 7 25.444 -0.182 -0.707 60 HB ILE 7 HB ILE 7 25.715 -2.699 0.911 61 HG12 ILE 7 HG12 ILE 7 27.453 -0.234 1.175 62 HG13 ILE 7 HG13 ILE 7 26.238 -0.718 2.351 63 HG21 ILE 7 HG21 ILE 7 27.504 -1.321 -1.089 64 HG22 ILE 7 HG22 ILE 7 27.904 -2.806 -0.225 65 HG23 ILE 7 HG23 ILE 7 26.555 -2.782 -1.361 66 HD11 ILE 7 HD11 ILE 7 28.461 -1.369 3.066 67 HD12 ILE 7 HD12 ILE 7 27.462 -2.790 2.760 68 HD13 ILE 7 HD13 ILE 7 28.681 -2.299 1.584 69 H LEU 8 HN LEU 8 22.537 -0.528 -0.395 70 HA LEU 8 HA LEU 8 22.217 -2.770 -2.259 71 HB2 LEU 8 HB2 LEU 8 20.517 -2.249 0.177 72 HB3 LEU 8 HB3 LEU 8 20.051 -3.331 -1.121 73 HG LEU 8 HG LEU 8 22.578 -3.706 0.476 74 HD11 LEU 8 HD11 LEU 8 19.859 -4.918 0.942 75 HD12 LEU 8 HD12 LEU 8 21.351 -5.400 1.751 76 HD13 LEU 8 HD13 LEU 8 20.693 -3.784 2.004 77 HD21 LEU 8 HD21 LEU 8 22.527 -4.825 -1.684 78 HD22 LEU 8 HD22 LEU 8 22.413 -5.999 -0.375 79 HD23 LEU 8 HD23 LEU 8 20.970 -5.552 -1.286 80 H ASN 9 HN ASN 9 21.750 0.436 -1.564 81 HA ASN 9 HA ASN 9 20.203 0.878 -3.912 82 HB2 ASN 9 HB2 ASN 9 18.215 1.834 -2.926 83 HB3 ASN 9 HB3 ASN 9 18.407 0.189 -2.333 84 HD21 ASN 9 HD21 ASN 9 20.509 0.864 -0.453 85 HD22 ASN 9 HD22 ASN 9 19.748 1.715 0.842 86 H LEU 10 HN LEU 10 22.716 1.732 -2.832 87 HA LEU 10 HA LEU 10 22.529 4.387 -1.840 88 HB2 LEU 10 HB2 LEU 10 24.846 4.460 -1.927 89 HB3 LEU 10 HB3 LEU 10 24.513 2.754 -1.705 90 HG LEU 10 HG LEU 10 25.162 4.037 -4.362 91 HD11 LEU 10 HD11 LEU 10 27.340 2.964 -4.133 92 HD12 LEU 10 HD12 LEU 10 27.063 4.137 -2.846 93 HD13 LEU 10 HD13 LEU 10 26.905 2.410 -2.517 94 HD21 LEU 10 HD21 LEU 10 23.832 2.046 -4.640 95 HD22 LEU 10 HD22 LEU 10 25.503 1.694 -5.080 96 HD23 LEU 10 HD23 LEU 10 24.868 1.154 -3.525 97 H ARG 11 HN ARG 11 21.449 3.369 -4.646 98 HA ARG 11 HA ARG 11 22.612 5.048 -6.582 99 HB2 ARG 11 HB2 ARG 11 19.842 3.855 -6.471 100 HB3 ARG 11 HB3 ARG 11 20.552 4.612 -7.890 101 HG2 ARG 11 HG2 ARG 11 22.268 2.915 -7.983 102 HG3 ARG 11 HG3 ARG 11 21.653 2.179 -6.502 103 HD2 ARG 11 HD2 ARG 11 19.556 1.652 -7.606 104 HD3 ARG 11 HD3 ARG 11 20.100 2.462 -9.072 105 HE ARG 11 HE ARG 11 22.001 0.566 -8.619 106 HH11 ARG 11 HH12 ARG 11 18.532 0.514 -8.948 107 HH12 ARG 11 HH11 ARG 11 18.491 -1.078 -9.629 108 HH21 ARG 11 HH22 ARG 11 21.957 -1.529 -9.516 109 HH22 ARG 11 HH21 ARG 11 20.439 -2.240 -9.952 110 H THR 12 HN THR 12 19.251 5.402 -5.625 111 HA THR 12 HA THR 12 19.699 8.285 -5.226 112 HB THR 12 HB THR 12 17.468 8.700 -6.263 113 HG1 THR 12 HG1 THR 12 17.675 5.919 -6.716 114 HG21 THR 12 HG21 THR 12 18.220 8.423 -8.596 115 HG22 THR 12 HG22 THR 12 19.521 7.371 -8.038 116 HG23 THR 12 HG23 THR 12 19.493 9.070 -7.562 117 H ASP 13 HN ASP 13 18.980 5.590 -3.685 118 HA ASP 13 HA ASP 13 17.843 5.004 -1.807 119 HB2 ASP 13 HB2 ASP 13 19.055 6.926 -0.886 120 HB3 ASP 13 HB3 ASP 13 17.763 8.004 -1.404 121 H ILE 14 HN ILE 14 16.054 4.139 -2.919 122 HA ILE 14 HA ILE 14 13.777 5.764 -3.571 123 HB ILE 14 HB ILE 14 13.907 2.753 -3.353 124 HG12 ILE 14 HG12 ILE 14 14.331 4.494 -5.794 125 HG13 ILE 14 HG13 ILE 14 15.617 3.680 -4.910 126 HG21 ILE 14 HG21 ILE 14 11.990 2.798 -4.863 127 HG22 ILE 14 HG22 ILE 14 11.645 3.679 -3.375 128 HG23 ILE 14 HG23 ILE 14 12.017 4.561 -4.856 129 HD11 ILE 14 HD11 ILE 14 13.352 2.361 -6.387 130 HD12 ILE 14 HD12 ILE 14 15.040 2.438 -6.892 131 HD13 ILE 14 HD13 ILE 14 14.592 1.517 -5.458 132 H SER 15 HN SER 15 14.231 3.077 -1.273 133 HA SER 15 HA SER 15 13.260 2.574 0.715 134 HB2 SER 15 HB2 SER 15 12.923 5.578 0.878 135 HB3 SER 15 HB3 SER 15 12.729 4.459 2.227 136 HG SER 15 HG SER 15 14.826 5.414 2.137 137 H THR 16 HN THR 16 11.485 1.414 0.211 138 HA THR 16 HA THR 16 8.943 2.891 0.057 139 HB THR 16 HB THR 16 8.069 1.122 -1.454 140 HG1 THR 16 HG1 THR 16 10.077 -0.256 -0.766 141 HG21 THR 16 HG21 THR 16 9.207 1.902 -3.479 142 HG22 THR 16 HG22 THR 16 10.505 2.576 -2.493 143 HG23 THR 16 HG23 THR 16 8.875 3.240 -2.378 144 H SER 17 HN SER 17 7.840 2.478 1.843 145 HA SER 17 HA SER 17 7.967 -0.235 2.987 146 HB2 SER 17 HB2 SER 17 7.388 2.395 4.373 147 HB3 SER 17 HB3 SER 17 7.371 0.812 5.150 148 HG SER 17 HG SER 17 9.676 1.314 3.763 149 H SEP 18 HN SER 18 5.830 2.531 2.394 150 HA SEP 18 HA SER 18 3.599 0.661 2.077 151 HB2 SEP 18 HB2 SER 18 3.496 1.560 4.394 152 HB3 SEP 18 HB3 SER 18 3.412 3.191 3.732 153 H SER 19 HN SER 19 2.036 1.313 0.609 154 HA SER 19 HA SER 19 2.896 3.234 -1.334 155 HB2 SER 19 HB2 SER 19 0.835 2.597 -2.542 156 HB3 SER 19 HB3 SER 19 1.764 1.184 -2.040 157 HG SER 19 HG SER 19 -0.014 1.932 -0.137 158 H SER 20 HN SER 20 2.068 5.226 -1.794 159 HA SER 20 HA SER 20 0.753 6.613 0.334 160 HB2 SER 20 HB2 SER 20 0.907 8.577 -1.159 161 HB3 SER 20 HB3 SER 20 2.449 7.733 -1.025 162 HG SER 20 HG SER 20 2.206 6.941 -3.046 163 H ILE 21 HN ILE 21 -0.453 4.578 -1.923 164 HA ILE 21 HA ILE 21 -2.718 5.964 -2.905 165 HB ILE 21 HB ILE 21 -2.402 2.989 -2.492 166 HG12 ILE 21 HG12 ILE 21 -1.842 4.642 -4.963 167 HG13 ILE 21 HG13 ILE 21 -0.601 4.031 -3.874 168 HG21 ILE 21 HG21 ILE 21 -4.251 4.553 -4.290 169 HG22 ILE 21 HG22 ILE 21 -4.100 2.796 -4.246 170 HG23 ILE 21 HG23 ILE 21 -4.716 3.664 -2.839 171 HD11 ILE 21 HD11 ILE 21 -1.313 1.738 -4.391 172 HD12 ILE 21 HD12 ILE 21 -2.498 2.381 -5.528 173 HD13 ILE 21 HD13 ILE 21 -0.776 2.621 -5.820 174 H SER 22 HN SER 22 -4.636 6.398 -2.004 175 HA SER 22 HA SER 22 -5.050 5.842 0.779 176 HB2 SER 22 HB2 SER 22 -6.866 7.150 -1.262 177 HB3 SER 22 HB3 SER 22 -7.158 7.107 0.477 178 HG SER 22 HG SER 22 -4.719 8.022 0.158 179 H SER 23 HN SER 23 -6.963 5.093 -2.141 180 HA SER 23 HA SER 23 -8.271 2.928 -0.668 181 HB2 SER 23 HB2 SER 23 -8.911 4.122 -3.378 182 HB3 SER 23 HB3 SER 23 -9.853 2.872 -2.563 183 HG SER 23 HG SER 23 -10.171 5.430 -2.325 184 H SER 24 HN SER 24 -7.315 1.015 -0.763 185 HA SER 24 HA SER 24 -6.414 0.012 -3.360 186 HB2 SER 24 HB2 SER 24 -4.352 -0.904 -2.354 187 HB3 SER 24 HB3 SER 24 -4.391 0.858 -2.272 188 HG SER 24 HG SER 24 -5.292 0.487 -0.079 189 H GLU 25 HN GLU 25 -7.492 -1.794 -3.724 190 HA GLU 25 HA GLU 25 -8.568 -3.773 -3.441 191 HB2 GLU 25 HB2 GLU 25 -6.627 -3.984 -1.136 192 HB3 GLU 25 HB3 GLU 25 -7.654 -5.304 -1.677 193 HG2 GLU 25 HG2 GLU 25 -5.482 -5.615 -2.598 194 HG3 GLU 25 HG3 GLU 25 -6.574 -5.161 -3.905 195 H GLU 26 HN GLU 26 -10.614 -3.003 -2.984 196 HA GLU 26 HA GLU 26 -11.336 -2.427 -0.228 197 HB2 GLU 26 HB2 GLU 26 -12.196 -1.017 -2.077 198 HB3 GLU 26 HB3 GLU 26 -13.044 -2.413 -2.724 199 HG2 GLU 26 HG2 GLU 26 -14.415 -2.534 -0.728 200 HG3 GLU 26 HG3 GLU 26 -13.536 -1.179 -0.023 201 H ASN 27 HN ASN 27 -11.132 -5.097 -2.210 202 HA ASN 27 HA ASN 27 -13.233 -6.537 -0.734 203 HB2 ASN 27 HB2 ASN 27 -11.903 -7.221 -3.365 204 HB3 ASN 27 HB3 ASN 27 -13.109 -8.216 -2.556 205 HD21 ASN 27 HD21 ASN 27 -14.639 -5.908 -1.636 206 HD22 ASN 27 HD22 ASN 27 -15.470 -5.304 -3.024 207 H ASP 28 HN ASP 28 -12.741 -8.295 0.476 208 HA ASP 28 HA ASP 28 -9.951 -9.226 0.484 209 HB2 ASP 28 HB2 ASP 28 -11.657 -8.535 2.881 210 HB3 ASP 28 HB3 ASP 28 -10.163 -9.463 2.986 211 H PHE 29 HN PHE 29 -12.667 -10.194 -0.534 212 HA PHE 29 HA PHE 29 -12.535 -12.860 0.712 213 HB2 PHE 29 HB2 PHE 29 -14.591 -11.684 1.388 214 HB3 PHE 29 HB3 PHE 29 -15.013 -11.452 -0.303 215 HD1 PHE 29 HD2 PHE 29 -14.419 -14.053 2.268 216 HD2 PHE 29 HD1 PHE 29 -16.204 -13.085 -1.472 217 HE1 PHE 29 HE2 PHE 29 -15.594 -16.215 2.274 218 HE2 PHE 29 HE1 PHE 29 -17.383 -15.242 -1.473 219 HZ PHE 29 HZ PHE 29 -17.081 -16.811 0.399 220 H TRP 30 HN TRP 30 -12.434 -10.989 -2.130 221 HA TRP 30 HA TRP 30 -13.117 -13.170 -3.907 222 HB2 TRP 30 HB2 TRP 30 -12.269 -10.316 -4.333 223 HB3 TRP 30 HB3 TRP 30 -12.330 -11.457 -5.673 224 HD1 TRP 30 HD1 TRP 30 -14.493 -9.193 -3.640 225 HE1 TRP 30 HE1 TRP 30 -16.952 -9.448 -4.364 226 HE3 TRP 30 HE3 TRP 30 -14.054 -13.384 -6.531 227 HZ2 TRP 30 HZ2 TRP 30 -18.500 -11.199 -5.953 228 HZ3 TRP 30 HZ3 TRP 30 -16.070 -14.287 -7.618 229 HH2 TRP 30 HH2 TRP 30 -18.246 -13.215 -7.333 230 H GLN 31 HN GLN 31 -10.412 -11.134 -4.713 231 HA GLN 31 HA GLN 31 -8.506 -13.265 -4.145 232 HB2 GLN 31 HB2 GLN 31 -8.984 -12.148 -6.910 233 HB3 GLN 31 HB3 GLN 31 -7.601 -13.142 -6.469 234 HG2 GLN 31 HG2 GLN 31 -9.244 -14.919 -5.776 235 HG3 GLN 31 HG3 GLN 31 -10.500 -13.935 -6.524 236 HE21 GLN 31 HE21 GLN 31 -8.784 -13.022 -8.696 237 HE22 GLN 31 HE22 GLN 31 -8.595 -14.369 -9.759 238 HA PRO 32 HA PRO 32 -6.963 -8.882 -3.437 239 HB2 PRO 32 HB2 PRO 32 -6.069 -10.038 -0.882 240 HB3 PRO 32 HB3 PRO 32 -7.000 -8.569 -1.183 241 HG2 PRO 32 HG2 PRO 32 -8.120 -10.754 -0.099 242 HG3 PRO 32 HG3 PRO 32 -9.014 -9.684 -1.195 243 HD2 PRO 32 HD2 PRO 32 -7.745 -12.338 -1.750 244 HD3 PRO 32 HD3 PRO 32 -9.302 -11.693 -2.314 245 H LYS 33 HN LYS 33 -5.576 -12.056 -2.770 246 HA LYS 33 HA LYS 33 -3.109 -11.245 -4.072 247 HB2 LYS 33 HB2 LYS 33 -1.660 -11.961 -2.277 248 HB3 LYS 33 HB3 LYS 33 -2.763 -10.736 -1.666 249 HG2 LYS 33 HG2 LYS 33 -3.229 -13.685 -1.314 250 HG3 LYS 33 HG3 LYS 33 -2.340 -12.696 -0.154 251 HD2 LYS 33 HD2 LYS 33 -4.325 -11.253 0.097 252 HD3 LYS 33 HD3 LYS 33 -5.207 -12.300 -1.017 253 HE2 LYS 33 HE2 LYS 33 -5.743 -12.840 1.298 254 HE3 LYS 33 HE3 LYS 33 -4.914 -14.181 0.511 255 HZ1 LYS 33 HZ1 LYS 33 -2.848 -13.447 1.568 256 HZ2 LYS 33 HZ2 LYS 33 -4.034 -13.832 2.711 257 HZ3 LYS 33 HZ3 LYS 33 -3.688 -12.212 2.366 258 HA PRO 34 HA PRO 34 -3.326 -15.356 -5.681 259 HB2 PRO 34 HB2 PRO 34 -0.391 -15.464 -5.731 260 HB3 PRO 34 HB3 PRO 34 -1.535 -15.476 -7.075 261 HG2 PRO 34 HG2 PRO 34 0.026 -13.348 -6.560 262 HG3 PRO 34 HG3 PRO 34 -1.620 -13.173 -7.197 263 HD2 PRO 34 HD2 PRO 34 -0.623 -12.830 -4.392 264 HD3 PRO 34 HD3 PRO 34 -1.791 -11.847 -5.300 265 H THR 35 HN THR 35 -2.122 -14.675 -2.676 266 HA THR 35 HA THR 35 -1.462 -15.878 -0.860 267 HB THR 35 HB THR 35 -2.682 -17.980 -0.464 268 HG1 THR 35 HG1 THR 35 -4.308 -18.112 -2.516 269 HG21 THR 35 HG21 THR 35 -4.950 -17.064 -0.598 270 HG22 THR 35 HG22 THR 35 -4.384 -15.818 -1.711 271 HG23 THR 35 HG23 THR 35 -3.801 -15.844 -0.048 Start of MODEL 10 1 H1 GLU 1 H1 GLU 1 32.113 1.502 0.879 2 H2 GLU 1 H2 GLU 1 31.402 3.005 1.180 3 H3 GLU 1 H3 GLU 1 33.076 2.819 1.324 4 HA GLU 1 HA GLU 1 32.561 3.959 -0.711 5 HB2 GLU 1 HB2 GLU 1 33.527 1.116 -1.022 6 HB3 GLU 1 HB3 GLU 1 33.587 2.295 -2.324 7 HG2 GLU 1 HG2 GLU 1 35.733 2.201 -1.309 8 HG3 GLU 1 HG3 GLU 1 34.991 3.738 -0.867 9 H LYS 2 HN LYS 2 30.677 1.119 -0.122 10 HA LYS 2 HA LYS 2 28.924 1.856 -2.366 11 HB2 LYS 2 HB2 LYS 2 29.656 -0.954 -1.528 12 HB3 LYS 2 HB3 LYS 2 28.455 -0.540 -2.744 13 HG2 LYS 2 HG2 LYS 2 30.215 0.513 -4.096 14 HG3 LYS 2 HG3 LYS 2 31.409 0.032 -2.890 15 HD2 LYS 2 HD2 LYS 2 30.852 -2.319 -3.276 16 HD3 LYS 2 HD3 LYS 2 29.647 -1.840 -4.473 17 HE2 LYS 2 HE2 LYS 2 31.437 -0.799 -5.815 18 HE3 LYS 2 HE3 LYS 2 32.622 -1.359 -4.634 19 HZ1 LYS 2 HZ1 LYS 2 31.977 -3.640 -5.131 20 HZ2 LYS 2 HZ2 LYS 2 32.508 -2.844 -6.526 21 HZ3 LYS 2 HZ3 LYS 2 30.854 -3.095 -6.273 22 H LEU 3 HN LEU 3 29.251 1.510 0.888 23 HA LEU 3 HA LEU 3 26.560 0.557 1.393 24 HB2 LEU 3 HB2 LEU 3 28.892 1.229 3.151 25 HB3 LEU 3 HB3 LEU 3 27.292 1.003 3.823 26 HG LEU 3 HG LEU 3 28.578 -1.030 4.062 27 HD11 LEU 3 HD11 LEU 3 27.074 -2.607 2.963 28 HD12 LEU 3 HD12 LEU 3 26.186 -1.259 3.674 29 HD13 LEU 3 HD13 LEU 3 26.465 -1.312 1.933 30 HD21 LEU 3 HD21 LEU 3 30.142 -0.691 2.218 31 HD22 LEU 3 HD22 LEU 3 29.383 -2.280 2.128 32 HD23 LEU 3 HD23 LEU 3 28.846 -0.985 1.059 33 H LYS 4 HN LYS 4 26.912 3.032 0.004 34 HA LYS 4 HA LYS 4 26.210 5.108 1.914 35 HB2 LYS 4 HB2 LYS 4 26.418 5.266 -1.099 36 HB3 LYS 4 HB3 LYS 4 26.273 6.626 0.007 37 HG2 LYS 4 HG2 LYS 4 28.591 4.710 -0.153 38 HG3 LYS 4 HG3 LYS 4 28.556 6.364 -0.767 39 HD2 LYS 4 HD2 LYS 4 28.172 7.172 1.538 40 HD3 LYS 4 HD3 LYS 4 28.308 5.512 2.119 41 HE2 LYS 4 HE2 LYS 4 30.591 5.416 1.159 42 HE3 LYS 4 HE3 LYS 4 30.443 7.118 0.719 43 HZ1 LYS 4 HZ1 LYS 4 30.133 7.631 3.085 44 HZ2 LYS 4 HZ2 LYS 4 31.629 6.902 2.785 45 HZ3 LYS 4 HZ3 LYS 4 30.373 6.002 3.472 46 H GLN 5 HN GLN 5 24.451 6.659 0.544 47 HA GLN 5 HA GLN 5 22.235 7.002 0.196 48 HB2 GLN 5 HB2 GLN 5 22.360 4.191 -0.907 49 HB3 GLN 5 HB3 GLN 5 21.001 5.287 -1.105 50 HG2 GLN 5 HG2 GLN 5 23.791 5.768 -2.120 51 HG3 GLN 5 HG3 GLN 5 22.427 5.207 -3.086 52 HE21 GLN 5 HE21 GLN 5 24.080 7.628 -3.313 53 HE22 GLN 5 HE22 GLN 5 22.975 8.955 -3.257 54 H ASP 6 HN ASP 6 21.780 3.545 0.735 55 HA ASP 6 HA ASP 6 19.979 4.143 2.924 56 HB2 ASP 6 HB2 ASP 6 20.697 1.574 1.507 57 HB3 ASP 6 HB3 ASP 6 19.601 1.638 2.885 58 H ILE 7 HN ILE 7 21.609 4.943 4.394 59 HA ILE 7 HA ILE 7 22.781 2.788 5.959 60 HB ILE 7 HB ILE 7 24.652 3.402 4.621 61 HG12 ILE 7 HG12 ILE 7 24.904 4.905 7.231 62 HG13 ILE 7 HG13 ILE 7 25.025 3.156 7.078 63 HG21 ILE 7 HG21 ILE 7 23.807 5.509 3.751 64 HG22 ILE 7 HG22 ILE 7 24.047 6.271 5.324 65 HG23 ILE 7 HG23 ILE 7 25.437 5.710 4.391 66 HD11 ILE 7 HD11 ILE 7 27.220 4.180 7.216 67 HD12 ILE 7 HD12 ILE 7 26.983 3.419 5.643 68 HD13 ILE 7 HD13 ILE 7 26.861 5.170 5.802 69 H LEU 8 HN LEU 8 22.084 6.234 5.665 70 HA LEU 8 HA LEU 8 20.840 6.382 8.199 71 HB2 LEU 8 HB2 LEU 8 23.562 6.450 8.426 72 HB3 LEU 8 HB3 LEU 8 23.187 8.156 8.287 73 HG LEU 8 HG LEU 8 23.348 7.469 10.624 74 HD11 LEU 8 HD11 LEU 8 21.228 8.364 11.416 75 HD12 LEU 8 HD12 LEU 8 21.829 9.287 10.039 76 HD13 LEU 8 HD13 LEU 8 20.519 8.127 9.819 77 HD21 LEU 8 HD21 LEU 8 21.706 5.944 11.598 78 HD22 LEU 8 HD22 LEU 8 21.042 5.631 9.994 79 HD23 LEU 8 HD23 LEU 8 22.692 5.138 10.377 80 H ASN 9 HN ASN 9 21.891 7.638 5.262 81 HA ASN 9 HA ASN 9 20.587 10.225 5.713 82 HB2 ASN 9 HB2 ASN 9 21.690 10.942 3.633 83 HB3 ASN 9 HB3 ASN 9 22.857 10.334 4.803 84 HD21 ASN 9 HD21 ASN 9 21.270 9.768 1.774 85 HD22 ASN 9 HD22 ASN 9 22.296 8.485 1.241 86 H LEU 10 HN LEU 10 19.226 7.599 5.274 87 HA LEU 10 HA LEU 10 18.106 7.648 2.655 88 HB2 LEU 10 HB2 LEU 10 18.269 5.632 4.155 89 HB3 LEU 10 HB3 LEU 10 16.968 6.316 5.108 90 HG LEU 10 HG LEU 10 15.484 6.209 3.129 91 HD11 LEU 10 HD11 LEU 10 17.828 4.807 1.849 92 HD12 LEU 10 HD12 LEU 10 16.197 4.899 1.179 93 HD13 LEU 10 HD13 LEU 10 17.153 6.367 1.375 94 HD21 LEU 10 HD21 LEU 10 15.490 4.396 4.754 95 HD22 LEU 10 HD22 LEU 10 15.215 3.775 3.125 96 HD23 LEU 10 HD23 LEU 10 16.800 3.602 3.880 97 H ARG 11 HN ARG 11 17.814 9.852 4.942 98 HA ARG 11 HA ARG 11 14.936 10.300 4.653 99 HB2 ARG 11 HB2 ARG 11 16.942 11.766 6.378 100 HB3 ARG 11 HB3 ARG 11 15.198 11.984 6.405 101 HG2 ARG 11 HG2 ARG 11 14.963 9.623 7.117 102 HG3 ARG 11 HG3 ARG 11 16.721 9.515 7.203 103 HD2 ARG 11 HD2 ARG 11 15.809 9.937 9.406 104 HD3 ARG 11 HD3 ARG 11 16.737 11.331 8.858 105 HE ARG 11 HE ARG 11 14.108 11.803 8.139 106 HH11 ARG 11 HH12 ARG 11 15.914 11.306 11.077 107 HH12 ARG 11 HH11 ARG 11 14.860 12.284 12.042 108 HH21 ARG 11 HH22 ARG 11 12.715 13.093 9.403 109 HH22 ARG 11 HH21 ARG 11 13.043 13.299 11.091 110 H THR 12 HN THR 12 17.935 11.321 3.412 111 HA THR 12 HA THR 12 16.984 13.922 2.538 112 HB THR 12 HB THR 12 19.601 12.514 1.973 113 HG1 THR 12 HG1 THR 12 19.890 13.105 3.999 114 HG21 THR 12 HG21 THR 12 18.744 15.363 1.461 115 HG22 THR 12 HG22 THR 12 19.088 14.141 0.238 116 HG23 THR 12 HG23 THR 12 20.384 14.745 1.272 117 H ASP 13 HN ASP 13 17.988 10.845 1.062 118 HA ASP 13 HA ASP 13 17.571 11.567 -1.608 119 HB2 ASP 13 HB2 ASP 13 18.782 9.536 -0.955 120 HB3 ASP 13 HB3 ASP 13 17.294 8.839 -0.322 121 H ILE 14 HN ILE 14 15.700 12.596 -2.097 122 HA ILE 14 HA ILE 14 13.163 11.852 -1.064 123 HB ILE 14 HB ILE 14 13.470 14.119 -1.738 124 HG12 ILE 14 HG12 ILE 14 11.594 14.434 -3.335 125 HG13 ILE 14 HG13 ILE 14 11.629 12.708 -3.683 126 HG21 ILE 14 HG21 ILE 14 14.036 13.090 -4.512 127 HG22 ILE 14 HG22 ILE 14 13.918 14.786 -4.044 128 HG23 ILE 14 HG23 ILE 14 15.216 13.781 -3.398 129 HD11 ILE 14 HD11 ILE 14 11.026 13.958 -1.012 130 HD12 ILE 14 HD12 ILE 14 9.850 13.266 -2.129 131 HD13 ILE 14 HD13 ILE 14 11.054 12.228 -1.362 132 H SER 15 HN SER 15 12.087 10.093 -1.572 133 HA SER 15 HA SER 15 11.800 9.318 -4.363 134 HB2 SER 15 HB2 SER 15 13.719 7.993 -3.600 135 HB3 SER 15 HB3 SER 15 12.776 7.388 -2.240 136 HG SER 15 HG SER 15 11.926 5.964 -3.519 137 H THR 16 HN THR 16 10.138 7.529 -4.576 138 HA THR 16 HA THR 16 7.763 8.302 -3.277 139 HB THR 16 HB THR 16 8.274 5.721 -4.769 140 HG1 THR 16 HG1 THR 16 8.742 7.480 -6.104 141 HG21 THR 16 HG21 THR 16 5.715 7.222 -4.196 142 HG22 THR 16 HG22 THR 16 6.204 5.690 -3.472 143 HG23 THR 16 HG23 THR 16 5.857 5.777 -5.198 144 H SER 17 HN SER 17 7.953 8.140 -1.057 145 HA SER 17 HA SER 17 8.046 5.391 -0.002 146 HB2 SER 17 HB2 SER 17 10.088 6.601 0.622 147 HB3 SER 17 HB3 SER 17 9.116 7.897 1.320 148 HG SER 17 HG SER 17 8.659 6.672 3.005 149 H SEP 18 HN SER 18 6.044 7.846 -0.617 150 HA SEP 18 HA SER 18 4.585 7.790 1.910 151 HB2 SEP 18 HB2 SER 18 4.104 9.351 -0.639 152 HB3 SEP 18 HB3 SER 18 3.124 9.488 0.821 153 H SER 19 HN SER 19 4.631 6.219 -1.097 154 HA SER 19 HA SER 19 3.315 4.642 -2.065 155 HB2 SER 19 HB2 SER 19 1.899 4.528 0.608 156 HB3 SER 19 HB3 SER 19 1.887 3.291 -0.646 157 HG SER 19 HG SER 19 3.452 2.603 0.666 158 H SER 20 HN SER 20 0.914 4.070 -2.520 159 HA SER 20 HA SER 20 -0.920 6.291 -2.257 160 HB2 SER 20 HB2 SER 20 -1.244 6.569 -4.689 161 HB3 SER 20 HB3 SER 20 0.399 6.983 -4.204 162 HG SER 20 HG SER 20 -0.497 4.617 -5.474 163 H ILE 21 HN ILE 21 -0.163 3.060 -3.309 164 HA ILE 21 HA ILE 21 -2.780 2.312 -4.118 165 HB ILE 21 HB ILE 21 -1.997 0.010 -4.004 166 HG12 ILE 21 HG12 ILE 21 0.545 1.127 -2.798 167 HG13 ILE 21 HG13 ILE 21 -0.693 0.267 -1.888 168 HG21 ILE 21 HG21 ILE 21 -1.397 1.357 -5.944 169 HG22 ILE 21 HG22 ILE 21 0.081 1.879 -5.135 170 HG23 ILE 21 HG23 ILE 21 -0.133 0.183 -5.576 171 HD11 ILE 21 HD11 ILE 21 0.983 -0.846 -4.127 172 HD12 ILE 21 HD12 ILE 21 1.137 -1.211 -2.408 173 HD13 ILE 21 HD13 ILE 21 -0.305 -1.715 -3.290 174 H SER 22 HN SER 22 -4.213 0.832 -3.018 175 HA SER 22 HA SER 22 -4.051 1.045 -0.085 176 HB2 SER 22 HB2 SER 22 -6.519 1.135 -0.049 177 HB3 SER 22 HB3 SER 22 -5.833 2.484 -0.951 178 HG SER 22 HG SER 22 -7.645 0.852 -1.801 179 H SER 23 HN SER 23 -5.767 -0.609 0.880 180 HA SER 23 HA SER 23 -5.536 -3.169 -0.540 181 HB2 SER 23 HB2 SER 23 -4.845 -2.727 2.377 182 HB3 SER 23 HB3 SER 23 -4.906 -4.295 1.572 183 HG SER 23 HG SER 23 -2.969 -3.933 0.873 184 H SER 24 HN SER 24 -7.437 -0.953 1.053 185 HA SER 24 HA SER 24 -9.395 -2.945 1.947 186 HB2 SER 24 HB2 SER 24 -9.274 0.046 2.423 187 HB3 SER 24 HB3 SER 24 -10.507 -1.037 3.072 188 HG SER 24 HG SER 24 -8.471 -0.453 4.355 189 H GLU 25 HN GLU 25 -10.870 -3.528 0.500 190 HA GLU 25 HA GLU 25 -12.375 -1.533 -0.937 191 HB2 GLU 25 HB2 GLU 25 -10.383 -1.946 -2.395 192 HB3 GLU 25 HB3 GLU 25 -10.878 -3.628 -2.517 193 HG2 GLU 25 HG2 GLU 25 -13.013 -2.887 -3.518 194 HG3 GLU 25 HG3 GLU 25 -12.417 -1.228 -3.480 195 H GLU 26 HN GLU 26 -11.702 -5.021 -1.290 196 HA GLU 26 HA GLU 26 -14.525 -5.551 -0.644 197 HB2 GLU 26 HB2 GLU 26 -12.893 -6.743 -2.889 198 HB3 GLU 26 HB3 GLU 26 -14.425 -7.411 -2.344 199 HG2 GLU 26 HG2 GLU 26 -15.570 -5.372 -2.954 200 HG3 GLU 26 HG3 GLU 26 -14.039 -4.624 -3.413 201 H ASN 27 HN ASN 27 -14.904 -7.865 -0.026 202 HA ASN 27 HA ASN 27 -12.714 -8.750 1.703 203 HB2 ASN 27 HB2 ASN 27 -15.625 -9.574 1.680 204 HB3 ASN 27 HB3 ASN 27 -14.421 -10.110 2.846 205 HD21 ASN 27 HD21 ASN 27 -15.506 -9.267 4.589 206 HD22 ASN 27 HD22 ASN 27 -15.628 -7.571 4.888 207 H ASP 28 HN ASP 28 -13.312 -9.287 -1.324 208 HA ASP 28 HA ASP 28 -12.887 -10.948 -2.813 209 HB2 ASP 28 HB2 ASP 28 -11.643 -12.254 -0.385 210 HB3 ASP 28 HB3 ASP 28 -11.492 -12.871 -2.028 211 H PHE 29 HN PHE 29 -14.872 -11.627 -3.427 212 HA PHE 29 HA PHE 29 -16.086 -13.823 -1.876 213 HB2 PHE 29 HB2 PHE 29 -17.592 -12.048 -3.787 214 HB3 PHE 29 HB3 PHE 29 -18.240 -13.092 -2.526 215 HD1 PHE 29 HD2 PHE 29 -18.146 -12.408 -0.179 216 HD2 PHE 29 HD1 PHE 29 -16.783 -9.861 -3.304 217 HE1 PHE 29 HE2 PHE 29 -18.200 -10.491 1.367 218 HE2 PHE 29 HE1 PHE 29 -16.834 -7.940 -1.766 219 HZ PHE 29 HZ PHE 29 -17.546 -8.253 0.571 220 H TRP 30 HN TRP 30 -14.780 -12.819 -4.871 221 HA TRP 30 HA TRP 30 -16.069 -14.772 -6.513 222 HB2 TRP 30 HB2 TRP 30 -13.953 -12.728 -6.863 223 HB3 TRP 30 HB3 TRP 30 -13.889 -14.105 -7.958 224 HD1 TRP 30 HD1 TRP 30 -15.672 -10.865 -7.411 225 HE1 TRP 30 HE1 TRP 30 -17.514 -10.572 -9.187 226 HE3 TRP 30 HE3 TRP 30 -15.680 -15.590 -9.349 227 HZ2 TRP 30 HZ2 TRP 30 -18.803 -12.143 -11.151 228 HZ3 TRP 30 HZ3 TRP 30 -17.246 -16.117 -11.176 229 HH2 TRP 30 HH2 TRP 30 -18.774 -14.428 -12.057 230 H GLN 31 HN GLN 31 -12.581 -14.444 -5.887 231 HA GLN 31 HA GLN 31 -10.930 -15.984 -5.656 232 HB2 GLN 31 HB2 GLN 31 -13.144 -17.551 -4.327 233 HB3 GLN 31 HB3 GLN 31 -11.436 -17.962 -4.251 234 HG2 GLN 31 HG2 GLN 31 -10.924 -16.031 -2.996 235 HG3 GLN 31 HG3 GLN 31 -12.504 -15.317 -3.316 236 HE21 GLN 31 HE21 GLN 31 -12.024 -18.684 -2.458 237 HE22 GLN 31 HE22 GLN 31 -12.763 -18.586 -0.901 238 HA PRO 32 HA PRO 32 -12.437 -18.448 -9.301 239 HB2 PRO 32 HB2 PRO 32 -10.435 -17.119 -10.899 240 HB3 PRO 32 HB3 PRO 32 -12.191 -17.061 -11.068 241 HG2 PRO 32 HG2 PRO 32 -10.640 -14.930 -10.293 242 HG3 PRO 32 HG3 PRO 32 -12.359 -15.110 -9.901 243 HD2 PRO 32 HD2 PRO 32 -9.958 -15.634 -8.198 244 HD3 PRO 32 HD3 PRO 32 -11.533 -14.943 -7.753 245 H LYS 33 HN LYS 33 -9.251 -17.594 -8.112 246 HA LYS 33 HA LYS 33 -8.037 -19.950 -9.314 247 HB2 LYS 33 HB2 LYS 33 -6.798 -17.880 -7.491 248 HB3 LYS 33 HB3 LYS 33 -5.940 -19.085 -8.443 249 HG2 LYS 33 HG2 LYS 33 -7.610 -16.855 -9.589 250 HG3 LYS 33 HG3 LYS 33 -5.851 -16.837 -9.435 251 HD2 LYS 33 HD2 LYS 33 -5.723 -18.828 -10.877 252 HD3 LYS 33 HD3 LYS 33 -7.479 -18.793 -11.057 253 HE2 LYS 33 HE2 LYS 33 -5.579 -16.606 -11.897 254 HE3 LYS 33 HE3 LYS 33 -6.338 -17.776 -12.976 255 HZ1 LYS 33 HZ1 LYS 33 -7.853 -15.881 -11.271 256 HZ2 LYS 33 HZ2 LYS 33 -8.472 -16.882 -12.485 257 HZ3 LYS 33 HZ3 LYS 33 -7.463 -15.587 -12.890 258 HA PRO 34 HA PRO 34 -8.319 -22.750 -5.924 259 HB2 PRO 34 HB2 PRO 34 -5.349 -22.968 -5.984 260 HB3 PRO 34 HB3 PRO 34 -6.573 -24.240 -6.063 261 HG2 PRO 34 HG2 PRO 34 -5.245 -23.496 -8.247 262 HG3 PRO 34 HG3 PRO 34 -6.970 -23.901 -8.323 263 HD2 PRO 34 HD2 PRO 34 -5.643 -21.227 -8.376 264 HD3 PRO 34 HD3 PRO 34 -7.091 -21.787 -9.237 265 H THR 35 HN THR 35 -8.894 -21.679 -4.105 266 HA THR 35 HA THR 35 -7.332 -19.716 -2.814 267 HB THR 35 HB THR 35 -9.530 -21.400 -1.596 268 HG1 THR 35 HG1 THR 35 -9.934 -20.073 -3.622 269 HG21 THR 35 HG21 THR 35 -9.832 -19.481 -0.097 270 HG22 THR 35 HG22 THR 35 -8.462 -18.672 -0.857 271 HG23 THR 35 HG23 THR 35 -8.213 -20.161 0.053 Start of MODEL 11 1 H1 GLU 1 H1 GLU 1 19.647 15.479 9.782 2 H2 GLU 1 H2 GLU 1 18.401 16.607 9.594 3 H3 GLU 1 H3 GLU 1 19.832 16.770 8.702 4 HA GLU 1 HA GLU 1 17.880 14.555 8.456 5 HB2 GLU 1 HB2 GLU 1 17.047 16.694 7.558 6 HB3 GLU 1 HB3 GLU 1 18.499 16.844 6.577 7 HG2 GLU 1 HG2 GLU 1 17.880 14.795 5.376 8 HG3 GLU 1 HG3 GLU 1 16.407 14.692 6.339 9 H LYS 2 HN LYS 2 18.435 12.915 7.071 10 HA LYS 2 HA LYS 2 20.935 13.052 5.596 11 HB2 LYS 2 HB2 LYS 2 21.620 12.253 7.818 12 HB3 LYS 2 HB3 LYS 2 20.448 10.948 7.713 13 HG2 LYS 2 HG2 LYS 2 21.649 10.025 5.793 14 HG3 LYS 2 HG3 LYS 2 22.831 11.329 5.912 15 HD2 LYS 2 HD2 LYS 2 23.463 10.568 8.139 16 HD3 LYS 2 HD3 LYS 2 22.256 9.282 8.054 17 HE2 LYS 2 HE2 LYS 2 23.429 8.306 6.143 18 HE3 LYS 2 HE3 LYS 2 24.628 9.597 6.216 19 HZ1 LYS 2 HZ1 LYS 2 25.267 8.833 8.415 20 HZ2 LYS 2 HZ2 LYS 2 25.426 7.584 7.286 21 HZ3 LYS 2 HZ3 LYS 2 24.113 7.596 8.352 22 H LEU 3 HN LEU 3 18.260 10.956 6.626 23 HA LEU 3 HA LEU 3 17.014 9.410 5.529 24 HB2 LEU 3 HB2 LEU 3 17.659 11.331 3.318 25 HB3 LEU 3 HB3 LEU 3 16.565 9.979 3.095 26 HG LEU 3 HG LEU 3 16.057 11.908 5.318 27 HD11 LEU 3 HD11 LEU 3 16.491 13.281 3.331 28 HD12 LEU 3 HD12 LEU 3 15.267 12.366 2.449 29 HD13 LEU 3 HD13 LEU 3 14.802 13.349 3.839 30 HD21 LEU 3 HD21 LEU 3 14.705 9.897 5.173 31 HD22 LEU 3 HD22 LEU 3 13.728 11.319 4.810 32 HD23 LEU 3 HD23 LEU 3 14.286 10.276 3.501 33 H LYS 4 HN LYS 4 19.907 9.067 5.695 34 HA LYS 4 HA LYS 4 21.595 7.719 4.958 35 HB2 LYS 4 HB2 LYS 4 19.305 6.017 3.971 36 HB3 LYS 4 HB3 LYS 4 20.922 5.470 4.399 37 HG2 LYS 4 HG2 LYS 4 19.020 6.749 6.346 38 HG3 LYS 4 HG3 LYS 4 19.168 5.008 6.112 39 HD2 LYS 4 HD2 LYS 4 21.514 5.104 6.761 40 HD3 LYS 4 HD3 LYS 4 21.403 6.857 6.944 41 HE2 LYS 4 HE2 LYS 4 19.860 4.812 8.537 42 HE3 LYS 4 HE3 LYS 4 21.266 5.711 9.104 43 HZ1 LYS 4 HZ1 LYS 4 19.193 6.694 9.880 44 HZ2 LYS 4 HZ2 LYS 4 18.675 6.912 8.286 45 HZ3 LYS 4 HZ3 LYS 4 20.021 7.761 8.860 46 H GLN 5 HN GLN 5 22.634 8.855 3.362 47 HA GLN 5 HA GLN 5 21.752 8.333 0.597 48 HB2 GLN 5 HB2 GLN 5 23.406 10.658 1.600 49 HB3 GLN 5 HB3 GLN 5 22.849 10.414 -0.049 50 HG2 GLN 5 HG2 GLN 5 20.535 10.623 0.698 51 HG3 GLN 5 HG3 GLN 5 21.094 10.866 2.350 52 HE21 GLN 5 HE21 GLN 5 20.836 12.254 -0.824 53 HE22 GLN 5 HE22 GLN 5 21.204 13.878 -0.364 54 H ASP 6 HN ASP 6 23.015 7.040 -0.547 55 HA ASP 6 HA ASP 6 25.901 7.032 -0.033 56 HB2 ASP 6 HB2 ASP 6 24.149 4.577 -0.260 57 HB3 ASP 6 HB3 ASP 6 25.911 4.547 -0.300 58 H ILE 7 HN ILE 7 26.600 7.924 -1.883 59 HA ILE 7 HA ILE 7 25.472 7.016 -4.427 60 HB ILE 7 HB ILE 7 25.527 9.417 -4.146 61 HG12 ILE 7 HG12 ILE 7 27.725 8.586 -6.046 62 HG13 ILE 7 HG13 ILE 7 26.007 8.426 -6.389 63 HG21 ILE 7 HG21 ILE 7 27.329 9.538 -2.502 64 HG22 ILE 7 HG22 ILE 7 28.501 9.124 -3.753 65 HG23 ILE 7 HG23 ILE 7 27.613 10.645 -3.845 66 HD11 ILE 7 HD11 ILE 7 27.449 11.017 -5.869 67 HD12 ILE 7 HD12 ILE 7 26.978 10.396 -7.452 68 HD13 ILE 7 HD13 ILE 7 25.741 10.834 -6.274 69 H LEU 8 HN LEU 8 28.437 7.104 -2.571 70 HA LEU 8 HA LEU 8 29.693 5.386 -4.585 71 HB2 LEU 8 HB2 LEU 8 31.877 6.484 -3.773 72 HB3 LEU 8 HB3 LEU 8 30.881 7.344 -4.927 73 HG LEU 8 HG LEU 8 29.888 8.516 -2.832 74 HD11 LEU 8 HD11 LEU 8 31.469 8.725 -0.979 75 HD12 LEU 8 HD12 LEU 8 30.904 7.065 -1.168 76 HD13 LEU 8 HD13 LEU 8 32.511 7.518 -1.735 77 HD21 LEU 8 HD21 LEU 8 32.695 9.070 -3.783 78 HD22 LEU 8 HD22 LEU 8 31.206 9.641 -4.535 79 HD23 LEU 8 HD23 LEU 8 31.656 10.210 -2.926 80 H ASN 9 HN ASN 9 28.803 5.921 -1.389 81 HA ASN 9 HA ASN 9 30.751 4.126 -0.215 82 HB2 ASN 9 HB2 ASN 9 28.347 5.564 0.921 83 HB3 ASN 9 HB3 ASN 9 29.360 4.480 1.867 84 HD21 ASN 9 HD21 ASN 9 28.836 7.360 2.128 85 HD22 ASN 9 HD22 ASN 9 30.387 8.120 2.095 86 H LEU 10 HN LEU 10 27.567 4.022 -1.538 87 HA LEU 10 HA LEU 10 27.522 1.174 -1.521 88 HB2 LEU 10 HB2 LEU 10 26.758 2.019 0.850 89 HB3 LEU 10 HB3 LEU 10 25.253 2.368 0.023 90 HG LEU 10 HG LEU 10 25.143 -0.031 -0.672 91 HD11 LEU 10 HD11 LEU 10 26.563 -1.645 0.477 92 HD12 LEU 10 HD12 LEU 10 27.524 -0.546 -0.514 93 HD13 LEU 10 HD13 LEU 10 27.458 -0.327 1.233 94 HD21 LEU 10 HD21 LEU 10 24.437 -0.854 1.505 95 HD22 LEU 10 HD22 LEU 10 25.298 0.465 2.298 96 HD23 LEU 10 HD23 LEU 10 23.910 0.812 1.268 97 H ARG 11 HN ARG 11 24.556 1.130 -1.599 98 HA ARG 11 HA ARG 11 24.272 2.044 -4.342 99 HB2 ARG 11 HB2 ARG 11 22.392 0.430 -2.608 100 HB3 ARG 11 HB3 ARG 11 22.169 0.764 -4.319 101 HG2 ARG 11 HG2 ARG 11 24.258 -0.456 -4.798 102 HG3 ARG 11 HG3 ARG 11 24.387 -0.848 -3.082 103 HD2 ARG 11 HD2 ARG 11 22.271 -2.040 -3.177 104 HD3 ARG 11 HD3 ARG 11 22.081 -1.602 -4.874 105 HE ARG 11 HE ARG 11 24.516 -2.948 -4.567 106 HH11 ARG 11 HH12 ARG 11 21.091 -3.566 -4.379 107 HH12 ARG 11 HH11 ARG 11 21.237 -5.230 -4.835 108 HH21 ARG 11 HH22 ARG 11 24.715 -5.139 -5.171 109 HH22 ARG 11 HH21 ARG 11 23.295 -6.125 -5.283 110 H THR 12 HN THR 12 22.070 2.976 -4.940 111 HA THR 12 HA THR 12 21.539 5.213 -3.133 112 HB THR 12 HB THR 12 20.374 6.240 -5.059 113 HG1 THR 12 HG1 THR 12 19.787 4.936 -6.612 114 HG21 THR 12 HG21 THR 12 23.156 5.257 -5.711 115 HG22 THR 12 HG22 THR 12 22.771 6.652 -4.704 116 HG23 THR 12 HG23 THR 12 22.358 6.662 -6.419 117 H ASP 13 HN ASP 13 20.208 4.211 -1.613 118 HA ASP 13 HA ASP 13 17.790 2.866 -2.477 119 HB2 ASP 13 HB2 ASP 13 18.828 3.547 0.281 120 HB3 ASP 13 HB3 ASP 13 17.362 2.624 -0.033 121 H ILE 14 HN ILE 14 16.343 4.241 -3.353 122 HA ILE 14 HA ILE 14 15.853 6.848 -2.201 123 HB ILE 14 HB ILE 14 15.772 6.560 -4.633 124 HG12 ILE 14 HG12 ILE 14 13.034 7.212 -3.518 125 HG13 ILE 14 HG13 ILE 14 14.405 8.318 -3.502 126 HG21 ILE 14 HG21 ILE 14 13.973 5.321 -5.702 127 HG22 ILE 14 HG22 ILE 14 14.935 4.258 -4.675 128 HG23 ILE 14 HG23 ILE 14 13.359 4.827 -4.125 129 HD11 ILE 14 HD11 ILE 14 14.451 8.295 -5.941 130 HD12 ILE 14 HD12 ILE 14 13.078 7.187 -5.955 131 HD13 ILE 14 HD13 ILE 14 12.885 8.823 -5.324 132 H SER 15 HN SER 15 14.433 3.673 -2.123 133 HA SER 15 HA SER 15 11.871 4.405 -1.168 134 HB2 SER 15 HB2 SER 15 11.666 2.035 -0.507 135 HB3 SER 15 HB3 SER 15 12.303 2.198 -2.144 136 HG SER 15 HG SER 15 13.451 0.667 -0.829 137 H THR 16 HN THR 16 11.083 4.658 0.877 138 HA THR 16 HA THR 16 13.005 4.456 3.101 139 HB THR 16 HB THR 16 11.003 6.692 2.714 140 HG1 THR 16 HG1 THR 16 13.754 7.157 2.853 141 HG21 THR 16 HG21 THR 16 11.353 6.126 5.070 142 HG22 THR 16 HG22 THR 16 12.072 7.689 4.683 143 HG23 THR 16 HG23 THR 16 13.098 6.264 4.851 144 H SER 17 HN SER 17 9.597 4.601 2.139 145 HA SER 17 HA SER 17 8.777 3.483 4.705 146 HB2 SER 17 HB2 SER 17 7.131 4.378 2.325 147 HB3 SER 17 HB3 SER 17 6.478 3.848 3.876 148 HG SER 17 HG SER 17 8.241 6.046 3.531 149 H SEP 18 HN SER 18 6.910 1.785 4.451 150 HA SEP 18 HA SER 18 8.033 -0.409 2.874 151 HB2 SEP 18 HB2 SER 18 6.651 -1.873 4.293 152 HB3 SEP 18 HB3 SER 18 7.672 -0.820 5.272 153 H SER 19 HN SER 19 5.966 1.923 2.234 154 HA SER 19 HA SER 19 3.564 0.748 1.443 155 HB2 SER 19 HB2 SER 19 3.814 3.154 1.539 156 HB3 SER 19 HB3 SER 19 5.033 3.116 0.265 157 HG SER 19 HG SER 19 3.491 2.605 -1.205 158 H SER 20 HN SER 20 2.799 0.110 -0.638 159 HA SER 20 HA SER 20 4.729 -0.404 -2.737 160 HB2 SER 20 HB2 SER 20 4.238 -2.822 -2.845 161 HB3 SER 20 HB3 SER 20 5.007 -2.382 -1.320 162 HG SER 20 HG SER 20 3.247 -3.740 -0.937 163 H ILE 21 HN ILE 21 1.566 0.017 -1.572 164 HA ILE 21 HA ILE 21 -0.457 0.324 -2.562 165 HB ILE 21 HB ILE 21 1.173 0.757 -5.067 166 HG12 ILE 21 HG12 ILE 21 1.892 2.231 -3.244 167 HG13 ILE 21 HG13 ILE 21 1.059 3.145 -4.495 168 HG21 ILE 21 HG21 ILE 21 -1.163 0.398 -5.575 169 HG22 ILE 21 HG22 ILE 21 -1.637 1.590 -4.363 170 HG23 ILE 21 HG23 ILE 21 -0.758 2.100 -5.804 171 HD11 ILE 21 HD11 ILE 21 0.406 3.902 -2.293 172 HD12 ILE 21 HD12 ILE 21 -0.966 3.162 -3.118 173 HD13 ILE 21 HD13 ILE 21 -0.106 2.271 -1.861 174 H SER 22 HN SER 22 -1.370 -1.681 -2.376 175 HA SER 22 HA SER 22 -1.691 -3.167 -4.830 176 HB2 SER 22 HB2 SER 22 -1.005 -5.330 -3.863 177 HB3 SER 22 HB3 SER 22 0.343 -4.196 -3.936 178 HG SER 22 HG SER 22 -0.144 -3.719 -1.693 179 H SER 23 HN SER 23 -2.817 -1.967 -1.974 180 HA SER 23 HA SER 23 -4.947 -3.950 -1.666 181 HB2 SER 23 HB2 SER 23 -5.500 -2.731 0.409 182 HB3 SER 23 HB3 SER 23 -3.811 -3.240 0.384 183 HG SER 23 HG SER 23 -3.360 -1.221 0.694 184 H SER 24 HN SER 24 -7.105 -2.723 -0.912 185 HA SER 24 HA SER 24 -7.653 -0.503 -2.743 186 HB2 SER 24 HB2 SER 24 -9.729 -1.584 -3.520 187 HB3 SER 24 HB3 SER 24 -8.306 -2.532 -3.950 188 HG SER 24 HG SER 24 -10.367 -3.114 -2.195 189 H GLU 25 HN GLU 25 -10.285 -0.122 -2.362 190 HA GLU 25 HA GLU 25 -10.390 0.656 0.443 191 HB2 GLU 25 HB2 GLU 25 -12.176 1.362 -1.892 192 HB3 GLU 25 HB3 GLU 25 -12.379 1.981 -0.258 193 HG2 GLU 25 HG2 GLU 25 -11.280 3.650 -1.531 194 HG3 GLU 25 HG3 GLU 25 -10.092 2.958 -0.427 195 H GLU 26 HN GLU 26 -12.989 -0.398 -1.734 196 HA GLU 26 HA GLU 26 -13.796 -2.381 0.284 197 HB2 GLU 26 HB2 GLU 26 -15.244 -0.416 0.484 198 HB3 GLU 26 HB3 GLU 26 -15.622 -0.505 -1.231 199 HG2 GLU 26 HG2 GLU 26 -16.727 -2.640 -0.898 200 HG3 GLU 26 HG3 GLU 26 -16.301 -2.609 0.813 201 H ASN 27 HN ASN 27 -14.910 -4.216 -0.517 202 HA ASN 27 HA ASN 27 -14.815 -4.569 -3.432 203 HB2 ASN 27 HB2 ASN 27 -13.840 -6.539 -1.356 204 HB3 ASN 27 HB3 ASN 27 -14.014 -6.896 -3.071 205 HD21 ASN 27 HD21 ASN 27 -12.206 -5.155 -0.672 206 HD22 ASN 27 HD22 ASN 27 -10.862 -4.757 -1.682 207 H ASP 28 HN ASP 28 -16.409 -5.839 -4.326 208 HA ASP 28 HA ASP 28 -18.307 -7.201 -2.600 209 HB2 ASP 28 HB2 ASP 28 -20.243 -6.016 -3.671 210 HB3 ASP 28 HB3 ASP 28 -19.270 -4.997 -2.616 211 H PHE 29 HN PHE 29 -18.225 -9.153 -3.499 212 HA PHE 29 HA PHE 29 -18.383 -10.842 -5.007 213 HB2 PHE 29 HB2 PHE 29 -20.582 -9.776 -5.470 214 HB3 PHE 29 HB3 PHE 29 -19.820 -8.805 -6.724 215 HD1 PHE 29 HD1 PHE 29 -19.056 -9.832 -8.800 216 HD2 PHE 29 HD2 PHE 29 -21.076 -12.096 -5.816 217 HE1 PHE 29 HE1 PHE 29 -19.458 -11.624 -10.439 218 HE2 PHE 29 HE2 PHE 29 -21.481 -13.893 -7.449 219 HZ PHE 29 HZ PHE 29 -20.685 -13.654 -9.762 220 H TRP 30 HN TRP 30 -16.178 -10.990 -5.394 221 HA TRP 30 HA TRP 30 -15.379 -10.236 -8.082 222 HB2 TRP 30 HB2 TRP 30 -14.004 -9.278 -5.585 223 HB3 TRP 30 HB3 TRP 30 -13.141 -9.422 -7.113 224 HD1 TRP 30 HD1 TRP 30 -15.396 -7.130 -5.220 225 HE1 TRP 30 HE1 TRP 30 -15.987 -5.093 -6.681 226 HE3 TRP 30 HE3 TRP 30 -13.646 -8.830 -9.695 227 HZ2 TRP 30 HZ2 TRP 30 -15.741 -4.312 -9.394 228 HZ3 TRP 30 HZ3 TRP 30 -13.860 -7.384 -11.683 229 HH2 TRP 30 HH2 TRP 30 -14.889 -5.173 -11.531 230 H GLN 31 HN GLN 31 -13.545 -11.282 -5.229 231 HA GLN 31 HA GLN 31 -13.206 -13.917 -6.454 232 HB2 GLN 31 HB2 GLN 31 -10.942 -12.147 -5.524 233 HB3 GLN 31 HB3 GLN 31 -10.768 -13.844 -5.949 234 HG2 GLN 31 HG2 GLN 31 -11.438 -13.381 -8.225 235 HG3 GLN 31 HG3 GLN 31 -11.729 -11.689 -7.818 236 HE21 GLN 31 HE21 GLN 31 -9.984 -10.317 -7.488 237 HE22 GLN 31 HE22 GLN 31 -8.381 -10.726 -7.985 238 HA PRO 32 HA PRO 32 -13.932 -13.866 -1.777 239 HB2 PRO 32 HB2 PRO 32 -16.217 -15.592 -2.448 240 HB3 PRO 32 HB3 PRO 32 -16.162 -14.150 -1.431 241 HG2 PRO 32 HG2 PRO 32 -17.356 -14.144 -3.840 242 HG3 PRO 32 HG3 PRO 32 -16.512 -12.720 -3.201 243 HD2 PRO 32 HD2 PRO 32 -15.589 -14.722 -5.231 244 HD3 PRO 32 HD3 PRO 32 -15.387 -12.957 -5.209 245 H LYS 33 HN LYS 33 -14.719 -16.153 -0.609 246 HA LYS 33 HA LYS 33 -13.200 -18.316 -1.879 247 HB2 LYS 33 HB2 LYS 33 -12.174 -18.868 0.313 248 HB3 LYS 33 HB3 LYS 33 -11.657 -17.310 -0.318 249 HG2 LYS 33 HG2 LYS 33 -13.927 -17.476 1.620 250 HG3 LYS 33 HG3 LYS 33 -12.257 -17.530 2.184 251 HD2 LYS 33 HD2 LYS 33 -11.821 -15.394 1.046 252 HD3 LYS 33 HD3 LYS 33 -13.508 -15.338 0.528 253 HE2 LYS 33 HE2 LYS 33 -12.538 -15.359 3.385 254 HE3 LYS 33 HE3 LYS 33 -13.114 -13.943 2.504 255 HZ1 LYS 33 HZ1 LYS 33 -14.843 -14.866 3.910 256 HZ2 LYS 33 HZ2 LYS 33 -14.720 -16.362 3.132 257 HZ3 LYS 33 HZ3 LYS 33 -15.272 -15.010 2.279 258 HA PRO 34 HA PRO 34 -16.638 -20.784 -0.582 259 HB2 PRO 34 HB2 PRO 34 -15.561 -23.251 -0.660 260 HB3 PRO 34 HB3 PRO 34 -15.864 -22.315 -2.129 261 HG2 PRO 34 HG2 PRO 34 -13.304 -22.711 -0.630 262 HG3 PRO 34 HG3 PRO 34 -13.591 -22.740 -2.378 263 HD2 PRO 34 HD2 PRO 34 -12.574 -20.579 -1.056 264 HD3 PRO 34 HD3 PRO 34 -13.522 -20.452 -2.550 265 H THR 35 HN THR 35 -14.206 -20.000 1.395 266 HA THR 35 HA THR 35 -13.639 -20.340 3.572 267 HB THR 35 HB THR 35 -15.514 -20.589 5.147 268 HG1 THR 35 HG1 THR 35 -17.665 -20.688 4.117 269 HG21 THR 35 HG21 THR 35 -16.142 -18.724 2.855 270 HG22 THR 35 HG22 THR 35 -15.020 -18.387 4.172 271 HG23 THR 35 HG23 THR 35 -16.742 -18.580 4.506 Start of MODEL 12 1 H1 GLU 1 H1 GLU 1 14.618 16.566 0.530 2 H2 GLU 1 H2 GLU 1 14.058 17.198 -0.936 3 H3 GLU 1 H3 GLU 1 14.904 18.190 0.143 4 HA GLU 1 HA GLU 1 16.028 15.827 -1.243 5 HB2 GLU 1 HB2 GLU 1 16.542 18.765 -1.735 6 HB3 GLU 1 HB3 GLU 1 17.288 17.422 -2.588 7 HG2 GLU 1 HG2 GLU 1 15.139 16.788 -3.518 8 HG3 GLU 1 HG3 GLU 1 14.355 18.089 -2.622 9 H LYS 2 HN LYS 2 17.172 14.960 0.421 10 HA LYS 2 HA LYS 2 19.589 16.244 1.181 11 HB2 LYS 2 HB2 LYS 2 18.043 17.439 2.689 12 HB3 LYS 2 HB3 LYS 2 17.514 15.899 3.354 13 HG2 LYS 2 HG2 LYS 2 19.755 15.476 4.202 14 HG3 LYS 2 HG3 LYS 2 20.312 17.000 3.509 15 HD2 LYS 2 HD2 LYS 2 19.900 17.371 5.831 16 HD3 LYS 2 HD3 LYS 2 18.609 18.165 4.928 17 HE2 LYS 2 HE2 LYS 2 17.163 16.210 5.339 18 HE3 LYS 2 HE3 LYS 2 18.451 15.484 6.300 19 HZ1 LYS 2 HZ1 LYS 2 17.070 18.043 6.900 20 HZ2 LYS 2 HZ2 LYS 2 18.322 17.370 7.815 21 HZ3 LYS 2 HZ3 LYS 2 16.832 16.576 7.706 22 H LEU 3 HN LEU 3 21.064 14.822 2.025 23 HA LEU 3 HA LEU 3 22.046 12.838 2.516 24 HB2 LEU 3 HB2 LEU 3 20.537 12.827 4.440 25 HB3 LEU 3 HB3 LEU 3 19.285 12.076 3.469 26 HG LEU 3 HG LEU 3 20.724 10.077 3.199 27 HD11 LEU 3 HD11 LEU 3 22.535 11.545 5.111 28 HD12 LEU 3 HD12 LEU 3 22.688 9.844 4.673 29 HD13 LEU 3 HD13 LEU 3 22.900 11.092 3.447 30 HD21 LEU 3 HD21 LEU 3 20.473 9.260 5.499 31 HD22 LEU 3 HD22 LEU 3 20.189 10.911 6.049 32 HD23 LEU 3 HD23 LEU 3 19.043 10.137 4.954 33 H LYS 4 HN LYS 4 22.626 11.092 1.351 34 HA LYS 4 HA LYS 4 20.951 10.431 -0.950 35 HB2 LYS 4 HB2 LYS 4 23.820 9.711 -0.325 36 HB3 LYS 4 HB3 LYS 4 22.980 9.336 -1.824 37 HG2 LYS 4 HG2 LYS 4 22.945 11.551 -2.508 38 HG3 LYS 4 HG3 LYS 4 23.217 12.161 -0.874 39 HD2 LYS 4 HD2 LYS 4 25.491 11.305 -0.911 40 HD3 LYS 4 HD3 LYS 4 25.227 10.627 -2.520 41 HE2 LYS 4 HE2 LYS 4 26.449 12.743 -2.628 42 HE3 LYS 4 HE3 LYS 4 24.878 12.864 -3.418 43 HZ1 LYS 4 HZ1 LYS 4 25.332 14.799 -2.047 44 HZ2 LYS 4 HZ2 LYS 4 25.510 13.822 -0.678 45 HZ3 LYS 4 HZ3 LYS 4 24.005 13.941 -1.439 46 H GLN 5 HN GLN 5 21.336 8.011 -1.667 47 HA GLN 5 HA GLN 5 20.204 6.397 0.453 48 HB2 GLN 5 HB2 GLN 5 20.001 4.673 -1.359 49 HB3 GLN 5 HB3 GLN 5 19.170 6.186 -1.695 50 HG2 GLN 5 HG2 GLN 5 21.051 6.883 -3.113 51 HG3 GLN 5 HG3 GLN 5 21.836 5.334 -2.805 52 HE21 GLN 5 HE21 GLN 5 21.828 4.789 -4.980 53 HE22 GLN 5 HE22 GLN 5 20.385 4.326 -5.809 54 H ASP 6 HN ASP 6 23.099 6.377 -1.588 55 HA ASP 6 HA ASP 6 25.111 5.350 -1.400 56 HB2 ASP 6 HB2 ASP 6 24.368 5.239 1.530 57 HB3 ASP 6 HB3 ASP 6 25.982 4.988 0.873 58 H ILE 7 HN ILE 7 25.175 3.444 -2.405 59 HA ILE 7 HA ILE 7 23.668 1.171 -1.450 60 HB ILE 7 HB ILE 7 25.732 1.056 -3.636 61 HG12 ILE 7 HG12 ILE 7 22.857 1.948 -3.973 62 HG13 ILE 7 HG13 ILE 7 24.240 3.036 -3.999 63 HG21 ILE 7 HG21 ILE 7 24.830 -1.066 -3.035 64 HG22 ILE 7 HG22 ILE 7 23.184 -0.437 -3.042 65 HG23 ILE 7 HG23 ILE 7 24.074 -0.590 -4.555 66 HD11 ILE 7 HD11 ILE 7 25.089 1.998 -5.983 67 HD12 ILE 7 HD12 ILE 7 23.844 0.751 -5.913 68 HD13 ILE 7 HD13 ILE 7 23.398 2.425 -6.241 69 H LEU 8 HN LEU 8 25.948 2.365 0.118 70 HA LEU 8 HA LEU 8 27.595 -0.065 0.363 71 HB2 LEU 8 HB2 LEU 8 28.337 2.741 1.194 72 HB3 LEU 8 HB3 LEU 8 29.369 1.327 1.263 73 HG LEU 8 HG LEU 8 28.299 2.530 -1.293 74 HD11 LEU 8 HD11 LEU 8 31.028 2.776 -0.032 75 HD12 LEU 8 HD12 LEU 8 30.572 3.365 -1.630 76 HD13 LEU 8 HD13 LEU 8 29.837 4.065 -0.188 77 HD21 LEU 8 HD21 LEU 8 28.790 0.143 -1.449 78 HD22 LEU 8 HD22 LEU 8 29.952 1.094 -2.371 79 HD23 LEU 8 HD23 LEU 8 30.406 0.426 -0.803 80 H ASN 9 HN ASN 9 25.000 1.225 1.669 81 HA ASN 9 HA ASN 9 25.385 -0.034 4.207 82 HB2 ASN 9 HB2 ASN 9 24.824 2.069 5.518 83 HB3 ASN 9 HB3 ASN 9 26.456 1.981 4.861 84 HD21 ASN 9 HD21 ASN 9 23.342 3.499 4.611 85 HD22 ASN 9 HD22 ASN 9 23.837 4.807 3.596 86 H LEU 10 HN LEU 10 23.410 2.165 2.265 87 HA LEU 10 HA LEU 10 21.024 0.759 3.268 88 HB2 LEU 10 HB2 LEU 10 21.606 3.635 3.176 89 HB3 LEU 10 HB3 LEU 10 20.048 3.196 2.505 90 HG LEU 10 HG LEU 10 19.823 3.812 4.841 91 HD11 LEU 10 HD11 LEU 10 19.466 0.846 4.438 92 HD12 LEU 10 HD12 LEU 10 18.664 1.835 5.660 93 HD13 LEU 10 HD13 LEU 10 18.327 2.098 3.949 94 HD21 LEU 10 HD21 LEU 10 20.860 2.513 6.615 95 HD22 LEU 10 HD22 LEU 10 21.703 1.528 5.422 96 HD23 LEU 10 HD23 LEU 10 22.084 3.242 5.578 97 H ARG 11 HN ARG 11 20.254 -0.436 1.682 98 HA ARG 11 HA ARG 11 20.778 0.013 -1.066 99 HB2 ARG 11 HB2 ARG 11 18.695 -1.744 0.246 100 HB3 ARG 11 HB3 ARG 11 19.175 -1.826 -1.444 101 HG2 ARG 11 HG2 ARG 11 21.448 -2.432 -0.755 102 HG3 ARG 11 HG3 ARG 11 20.935 -2.378 0.933 103 HD2 ARG 11 HD2 ARG 11 19.815 -4.203 -1.190 104 HD3 ARG 11 HD3 ARG 11 20.966 -4.669 0.062 105 HE ARG 11 HE ARG 11 18.760 -3.565 1.338 106 HH11 ARG 11 HH12 ARG 11 19.480 -6.323 -0.671 107 HH12 ARG 11 HH11 ARG 11 18.246 -7.315 0.032 108 HH21 ARG 11 HH22 ARG 11 17.135 -4.862 2.262 109 HH22 ARG 11 HH21 ARG 11 16.916 -6.486 1.702 110 H THR 12 HN THR 12 18.515 -0.336 -2.467 111 HA THR 12 HA THR 12 17.335 2.265 -2.409 112 HB THR 12 HB THR 12 15.915 1.415 -4.279 113 HG1 THR 12 HG1 THR 12 16.715 -0.953 -3.300 114 HG21 THR 12 HG21 THR 12 18.873 0.868 -4.547 115 HG22 THR 12 HG22 THR 12 18.090 2.439 -4.724 116 HG23 THR 12 HG23 THR 12 17.751 1.149 -5.878 117 H ASP 13 HN ASP 13 16.372 2.316 -0.329 118 HA ASP 13 HA ASP 13 13.756 0.978 -0.255 119 HB2 ASP 13 HB2 ASP 13 15.195 -0.234 1.285 120 HB3 ASP 13 HB3 ASP 13 15.685 1.270 2.057 121 H ILE 14 HN ILE 14 12.210 2.457 -0.252 122 HA ILE 14 HA ILE 14 12.792 5.166 0.664 123 HB ILE 14 HB ILE 14 11.692 4.879 -1.522 124 HG12 ILE 14 HG12 ILE 14 9.791 6.463 -1.112 125 HG13 ILE 14 HG13 ILE 14 10.026 6.222 0.617 126 HG21 ILE 14 HG21 ILE 14 9.398 3.751 0.078 127 HG22 ILE 14 HG22 ILE 14 9.364 4.132 -1.644 128 HG23 ILE 14 HG23 ILE 14 10.425 2.857 -1.043 129 HD11 ILE 14 HD11 ILE 14 11.068 8.278 -0.131 130 HD12 ILE 14 HD12 ILE 14 12.284 7.133 0.434 131 HD13 ILE 14 HD13 ILE 14 12.040 7.378 -1.295 132 H SER 15 HN SER 15 10.850 2.386 1.499 133 HA SER 15 HA SER 15 10.376 3.414 4.132 134 HB2 SER 15 HB2 SER 15 7.907 3.338 4.016 135 HB3 SER 15 HB3 SER 15 8.571 4.571 2.946 136 HG SER 15 HG SER 15 8.278 3.142 1.211 137 H THR 16 HN THR 16 8.839 1.822 5.342 138 HA THR 16 HA THR 16 9.976 -0.769 5.091 139 HB THR 16 HB THR 16 8.405 -1.427 6.884 140 HG1 THR 16 HG1 THR 16 7.424 1.234 6.566 141 HG21 THR 16 HG21 THR 16 9.235 0.125 8.602 142 HG22 THR 16 HG22 THR 16 9.769 1.230 7.337 143 HG23 THR 16 HG23 THR 16 10.514 -0.363 7.491 144 H SER 17 HN SER 17 7.409 0.735 3.504 145 HA SER 17 HA SER 17 6.248 -1.870 2.756 146 HB2 SER 17 HB2 SER 17 4.622 -0.456 3.903 147 HB3 SER 17 HB3 SER 17 4.936 0.859 2.770 148 HG SER 17 HG SER 17 3.355 -1.351 2.488 149 H SEP 18 HN SER 18 6.375 -2.478 0.687 150 HA SEP 18 HA SER 18 7.336 -0.495 -1.266 151 HB2 SEP 18 HB2 SER 18 8.903 -2.348 -0.866 152 HB3 SEP 18 HB3 SER 18 7.648 -3.507 -1.303 153 H SER 19 HN SER 19 6.347 -0.292 -3.240 154 HA SER 19 HA SER 19 4.665 -0.313 -4.768 155 HB2 SER 19 HB2 SER 19 4.200 -3.136 -3.789 156 HB3 SER 19 HB3 SER 19 3.609 -2.445 -5.301 157 HG SER 19 HG SER 19 5.739 -2.247 -5.997 158 H SER 20 HN SER 20 4.186 0.043 -1.692 159 HA SER 20 HA SER 20 2.463 0.602 -0.320 160 HB2 SER 20 HB2 SER 20 1.075 1.126 -2.958 161 HB3 SER 20 HB3 SER 20 0.521 1.702 -1.387 162 HG SER 20 HG SER 20 3.109 2.285 -2.354 163 H ILE 21 HN ILE 21 2.134 -1.446 0.565 164 HA ILE 21 HA ILE 21 -0.154 -2.936 -0.546 165 HB ILE 21 HB ILE 21 1.938 -4.227 -0.591 166 HG12 ILE 21 HG12 ILE 21 1.107 -6.210 0.690 167 HG13 ILE 21 HG13 ILE 21 -0.127 -5.177 1.407 168 HG21 ILE 21 HG21 ILE 21 3.078 -3.184 1.283 169 HG22 ILE 21 HG22 ILE 21 1.909 -3.882 2.404 170 HG23 ILE 21 HG23 ILE 21 3.001 -4.932 1.502 171 HD11 ILE 21 HD11 ILE 21 0.181 -5.795 -1.523 172 HD12 ILE 21 HD12 ILE 21 -1.027 -6.477 -0.432 173 HD13 ILE 21 HD13 ILE 21 -1.053 -4.754 -0.812 174 H SER 22 HN SER 22 -1.796 -3.569 0.814 175 HA SER 22 HA SER 22 -3.221 -3.468 2.583 176 HB2 SER 22 HB2 SER 22 -1.467 -4.767 3.719 177 HB3 SER 22 HB3 SER 22 -0.669 -3.270 4.202 178 HG SER 22 HG SER 22 -2.795 -4.540 5.322 179 H SER 23 HN SER 23 -1.797 -0.957 1.380 180 HA SER 23 HA SER 23 -2.786 0.927 3.421 181 HB2 SER 23 HB2 SER 23 -0.364 1.129 3.152 182 HB3 SER 23 HB3 SER 23 -0.557 1.336 1.411 183 HG SER 23 HG SER 23 -1.030 3.357 1.726 184 H SER 24 HN SER 24 -2.933 -0.157 0.164 185 HA SER 24 HA SER 24 -4.903 1.947 -0.433 186 HB2 SER 24 HB2 SER 24 -2.870 2.439 -1.691 187 HB3 SER 24 HB3 SER 24 -2.848 0.797 -2.339 188 HG SER 24 HG SER 24 -5.210 2.145 -2.743 189 H GLU 25 HN GLU 25 -4.031 -1.368 -0.452 190 HA GLU 25 HA GLU 25 -5.153 -3.279 -0.949 191 HB2 GLU 25 HB2 GLU 25 -6.911 -2.286 0.442 192 HB3 GLU 25 HB3 GLU 25 -7.559 -1.446 -0.959 193 HG2 GLU 25 HG2 GLU 25 -8.071 -3.597 -2.004 194 HG3 GLU 25 HG3 GLU 25 -7.441 -4.429 -0.585 195 H GLU 26 HN GLU 26 -4.412 -3.903 -2.900 196 HA GLU 26 HA GLU 26 -5.850 -2.906 -5.273 197 HB2 GLU 26 HB2 GLU 26 -3.821 -3.274 -6.574 198 HB3 GLU 26 HB3 GLU 26 -3.499 -2.181 -5.234 199 HG2 GLU 26 HG2 GLU 26 -2.615 -4.150 -3.963 200 HG3 GLU 26 HG3 GLU 26 -2.754 -5.085 -5.449 201 H ASN 27 HN ASN 27 -5.413 -5.512 -3.296 202 HA ASN 27 HA ASN 27 -5.565 -7.533 -5.389 203 HB2 ASN 27 HB2 ASN 27 -5.497 -9.140 -3.480 204 HB3 ASN 27 HB3 ASN 27 -4.115 -8.051 -3.531 205 HD21 ASN 27 HD21 ASN 27 -3.896 -6.467 -1.967 206 HD22 ASN 27 HD22 ASN 27 -4.804 -6.490 -0.497 207 H ASP 28 HN ASP 28 -7.735 -5.798 -5.372 208 HA ASP 28 HA ASP 28 -9.890 -7.680 -4.926 209 HB2 ASP 28 HB2 ASP 28 -9.748 -6.467 -2.776 210 HB3 ASP 28 HB3 ASP 28 -9.944 -4.943 -3.636 211 H PHE 29 HN PHE 29 -10.192 -7.691 -7.137 212 HA PHE 29 HA PHE 29 -10.817 -5.146 -8.442 213 HB2 PHE 29 HB2 PHE 29 -10.725 -7.750 -9.909 214 HB3 PHE 29 HB3 PHE 29 -10.318 -6.136 -10.482 215 HD1 PHE 29 HD2 PHE 29 -9.145 -9.027 -8.560 216 HD2 PHE 29 HD1 PHE 29 -8.121 -5.241 -10.206 217 HE1 PHE 29 HE2 PHE 29 -6.759 -9.506 -8.170 218 HE2 PHE 29 HE1 PHE 29 -5.736 -5.710 -9.821 219 HZ PHE 29 HZ PHE 29 -5.053 -7.844 -8.801 220 H TRP 30 HN TRP 30 -12.151 -8.311 -7.754 221 HA TRP 30 HA TRP 30 -14.809 -7.260 -8.431 222 HB2 TRP 30 HB2 TRP 30 -13.631 -9.950 -9.080 223 HB3 TRP 30 HB3 TRP 30 -15.373 -9.709 -8.994 224 HD1 TRP 30 HD1 TRP 30 -12.489 -9.362 -11.321 225 HE1 TRP 30 HE1 TRP 30 -13.250 -8.222 -13.503 226 HE3 TRP 30 HE3 TRP 30 -17.095 -7.742 -9.821 227 HZ2 TRP 30 HZ2 TRP 30 -15.508 -6.821 -14.459 228 HZ3 TRP 30 HZ3 TRP 30 -18.496 -6.508 -11.426 229 HH2 TRP 30 HH2 TRP 30 -17.717 -6.059 -13.696 230 H GLN 31 HN GLN 31 -14.244 -10.487 -7.214 231 HA GLN 31 HA GLN 31 -14.991 -9.668 -4.511 232 HB2 GLN 31 HB2 GLN 31 -16.480 -11.792 -6.064 233 HB3 GLN 31 HB3 GLN 31 -16.745 -11.380 -4.375 234 HG2 GLN 31 HG2 GLN 31 -17.342 -9.067 -5.134 235 HG3 GLN 31 HG3 GLN 31 -17.291 -9.673 -6.788 236 HE21 GLN 31 HE21 GLN 31 -19.460 -9.260 -7.139 237 HE22 GLN 31 HE22 GLN 31 -20.713 -10.204 -6.417 238 HA PRO 32 HA PRO 32 -11.682 -13.002 -4.802 239 HB2 PRO 32 HB2 PRO 32 -10.278 -11.211 -2.935 240 HB3 PRO 32 HB3 PRO 32 -9.697 -11.951 -4.430 241 HG2 PRO 32 HG2 PRO 32 -10.211 -9.323 -4.265 242 HG3 PRO 32 HG3 PRO 32 -10.511 -10.248 -5.748 243 HD2 PRO 32 HD2 PRO 32 -12.453 -9.329 -3.660 244 HD3 PRO 32 HD3 PRO 32 -12.622 -9.342 -5.429 245 H LYS 33 HN LYS 33 -13.044 -11.137 -2.147 246 HA LYS 33 HA LYS 33 -12.509 -13.294 -0.255 247 HB2 LYS 33 HB2 LYS 33 -13.381 -11.725 1.437 248 HB3 LYS 33 HB3 LYS 33 -12.061 -11.030 0.507 249 HG2 LYS 33 HG2 LYS 33 -13.919 -9.986 -0.942 250 HG3 LYS 33 HG3 LYS 33 -14.978 -10.376 0.413 251 HD2 LYS 33 HD2 LYS 33 -13.514 -9.094 1.910 252 HD3 LYS 33 HD3 LYS 33 -12.480 -8.691 0.537 253 HE2 LYS 33 HE2 LYS 33 -14.434 -7.601 -0.540 254 HE3 LYS 33 HE3 LYS 33 -15.364 -7.904 0.926 255 HZ1 LYS 33 HZ1 LYS 33 -14.520 -5.683 0.985 256 HZ2 LYS 33 HZ2 LYS 33 -12.941 -6.208 0.680 257 HZ3 LYS 33 HZ3 LYS 33 -13.688 -6.588 2.149 258 HA PRO 34 HA PRO 34 -16.492 -15.161 -0.389 259 HB2 PRO 34 HB2 PRO 34 -17.112 -15.397 2.289 260 HB3 PRO 34 HB3 PRO 34 -16.055 -16.501 1.403 261 HG2 PRO 34 HG2 PRO 34 -15.337 -14.196 3.167 262 HG3 PRO 34 HG3 PRO 34 -14.577 -15.793 3.043 263 HD2 PRO 34 HD2 PRO 34 -13.482 -13.631 1.896 264 HD3 PRO 34 HD3 PRO 34 -13.412 -15.227 1.118 265 H THR 35 HN THR 35 -16.023 -12.105 0.969 266 HA THR 35 HA THR 35 -18.581 -11.177 0.239 267 HB THR 35 HB THR 35 -19.531 -12.192 2.137 268 HG1 THR 35 HG1 THR 35 -20.329 -10.431 3.126 269 HG21 THR 35 HG21 THR 35 -17.222 -11.118 3.762 270 HG22 THR 35 HG22 THR 35 -17.473 -12.802 3.300 271 HG23 THR 35 HG23 THR 35 -18.599 -12.013 4.402 Start of MODEL 13 1 H1 GLU 1 H1 GLU 1 20.839 -1.621 -8.390 2 H2 GLU 1 H2 GLU 1 20.907 -1.929 -10.053 3 H3 GLU 1 H3 GLU 1 22.315 -2.010 -9.121 4 HA GLU 1 HA GLU 1 19.972 -3.801 -8.853 5 HB2 GLU 1 HB2 GLU 1 22.715 -4.304 -10.021 6 HB3 GLU 1 HB3 GLU 1 21.499 -5.540 -9.742 7 HG2 GLU 1 HG2 GLU 1 21.216 -3.188 -11.599 8 HG3 GLU 1 HG3 GLU 1 21.585 -4.845 -12.078 9 H LYS 2 HN LYS 2 23.086 -2.722 -7.691 10 HA LYS 2 HA LYS 2 23.307 -4.805 -5.714 11 HB2 LYS 2 HB2 LYS 2 25.295 -3.572 -4.955 12 HB3 LYS 2 HB3 LYS 2 25.330 -3.874 -6.687 13 HG2 LYS 2 HG2 LYS 2 24.432 -1.543 -6.994 14 HG3 LYS 2 HG3 LYS 2 24.736 -1.290 -5.276 15 HD2 LYS 2 HD2 LYS 2 26.882 -2.248 -7.151 16 HD3 LYS 2 HD3 LYS 2 26.545 -0.533 -6.915 17 HE2 LYS 2 HE2 LYS 2 28.310 -1.066 -5.438 18 HE3 LYS 2 HE3 LYS 2 26.861 -0.937 -4.443 19 HZ1 LYS 2 HZ1 LYS 2 27.912 -3.516 -5.461 20 HZ2 LYS 2 HZ2 LYS 2 26.711 -3.282 -4.292 21 HZ3 LYS 2 HZ3 LYS 2 28.317 -2.880 -3.946 22 H LEU 3 HN LEU 3 22.786 -4.728 -3.607 23 HA LEU 3 HA LEU 3 21.892 -4.049 -1.637 24 HB2 LEU 3 HB2 LEU 3 23.580 -2.267 -1.735 25 HB3 LEU 3 HB3 LEU 3 22.469 -1.264 -2.647 26 HG LEU 3 HG LEU 3 20.924 -1.282 -0.692 27 HD11 LEU 3 HD11 LEU 3 21.800 -2.003 1.478 28 HD12 LEU 3 HD12 LEU 3 21.659 -3.350 0.349 29 HD13 LEU 3 HD13 LEU 3 23.239 -2.640 0.681 30 HD21 LEU 3 HD21 LEU 3 23.713 -0.258 -0.182 31 HD22 LEU 3 HD22 LEU 3 22.435 0.584 -1.061 32 HD23 LEU 3 HD23 LEU 3 22.257 0.265 0.664 33 H LYS 4 HN LYS 4 19.861 -3.816 -0.906 34 HA LYS 4 HA LYS 4 17.869 -2.795 -2.818 35 HB2 LYS 4 HB2 LYS 4 17.358 -4.724 -0.555 36 HB3 LYS 4 HB3 LYS 4 16.292 -4.338 -1.897 37 HG2 LYS 4 HG2 LYS 4 17.108 -6.350 -2.593 38 HG3 LYS 4 HG3 LYS 4 18.290 -5.267 -3.331 39 HD2 LYS 4 HD2 LYS 4 19.505 -7.036 -2.300 40 HD3 LYS 4 HD3 LYS 4 19.722 -5.602 -1.297 41 HE2 LYS 4 HE2 LYS 4 18.001 -6.410 0.237 42 HE3 LYS 4 HE3 LYS 4 17.762 -7.836 -0.773 43 HZ1 LYS 4 HZ1 LYS 4 20.026 -8.513 -0.312 44 HZ2 LYS 4 HZ2 LYS 4 19.182 -8.295 1.138 45 HZ3 LYS 4 HZ3 LYS 4 20.288 -7.126 0.620 46 H GLN 5 HN GLN 5 16.808 -1.004 -2.284 47 HA GLN 5 HA GLN 5 17.151 0.148 0.347 48 HB2 GLN 5 HB2 GLN 5 15.542 1.219 -1.976 49 HB3 GLN 5 HB3 GLN 5 16.083 2.116 -0.564 50 HG2 GLN 5 HG2 GLN 5 17.823 0.952 -2.726 51 HG3 GLN 5 HG3 GLN 5 17.455 2.657 -2.468 52 HE21 GLN 5 HE21 GLN 5 19.238 -0.099 -1.326 53 HE22 GLN 5 HE22 GLN 5 20.293 0.766 -0.268 54 H ASP 6 HN ASP 6 15.645 0.337 1.920 55 HA ASP 6 HA ASP 6 12.855 -0.252 1.392 56 HB2 ASP 6 HB2 ASP 6 14.560 -1.986 3.186 57 HB3 ASP 6 HB3 ASP 6 12.799 -1.970 3.246 58 H ILE 7 HN ILE 7 11.477 0.671 2.858 59 HA ILE 7 HA ILE 7 12.663 2.591 4.681 60 HB ILE 7 HB ILE 7 9.706 2.162 4.347 61 HG12 ILE 7 HG12 ILE 7 11.457 3.829 2.525 62 HG13 ILE 7 HG13 ILE 7 10.775 2.266 2.089 63 HG21 ILE 7 HG21 ILE 7 9.657 4.599 4.749 64 HG22 ILE 7 HG22 ILE 7 10.399 3.709 6.078 65 HG23 ILE 7 HG23 ILE 7 11.410 4.584 4.928 66 HD11 ILE 7 HD11 ILE 7 9.480 4.098 1.158 67 HD12 ILE 7 HD12 ILE 7 8.528 3.181 2.327 68 HD13 ILE 7 HD13 ILE 7 9.211 4.742 2.776 69 H LEU 8 HN LEU 8 12.625 -0.399 5.161 70 HA LEU 8 HA LEU 8 11.270 -0.371 7.780 71 HB2 LEU 8 HB2 LEU 8 11.922 -2.692 5.960 72 HB3 LEU 8 HB3 LEU 8 11.365 -2.882 7.609 73 HG LEU 8 HG LEU 8 9.496 -3.231 6.186 74 HD11 LEU 8 HD11 LEU 8 9.030 -1.943 8.201 75 HD12 LEU 8 HD12 LEU 8 9.311 -0.444 7.315 76 HD13 LEU 8 HD13 LEU 8 7.953 -1.483 6.882 77 HD21 LEU 8 HD21 LEU 8 8.744 -1.648 4.515 78 HD22 LEU 8 HD22 LEU 8 10.083 -0.567 4.904 79 HD23 LEU 8 HD23 LEU 8 10.404 -2.143 4.182 80 H ASN 9 HN ASN 9 14.089 0.365 6.703 81 HA ASN 9 HA ASN 9 15.503 -0.439 9.044 82 HB2 ASN 9 HB2 ASN 9 17.319 -1.672 7.845 83 HB3 ASN 9 HB3 ASN 9 15.781 -2.527 7.872 84 HD21 ASN 9 HD21 ASN 9 18.104 -0.865 5.920 85 HD22 ASN 9 HD22 ASN 9 17.449 -1.317 4.386 86 H LEU 10 HN LEU 10 15.656 0.833 5.763 87 HA LEU 10 HA LEU 10 17.386 2.989 6.745 88 HB2 LEU 10 HB2 LEU 10 17.823 1.360 4.247 89 HB3 LEU 10 HB3 LEU 10 18.600 2.905 4.536 90 HG LEU 10 HG LEU 10 18.920 0.492 6.322 91 HD11 LEU 10 HD11 LEU 10 21.144 0.280 5.313 92 HD12 LEU 10 HD12 LEU 10 19.859 0.031 4.131 93 HD13 LEU 10 HD13 LEU 10 20.740 1.559 4.168 94 HD21 LEU 10 HD21 LEU 10 20.410 3.112 6.189 95 HD22 LEU 10 HD22 LEU 10 19.282 2.622 7.452 96 HD23 LEU 10 HD23 LEU 10 20.803 1.756 7.243 97 H ARG 11 HN ARG 11 15.817 4.533 6.708 98 HA ARG 11 HA ARG 11 13.960 4.830 4.563 99 HB2 ARG 11 HB2 ARG 11 14.746 6.837 6.683 100 HB3 ARG 11 HB3 ARG 11 13.316 6.913 5.664 101 HG2 ARG 11 HG2 ARG 11 12.502 4.834 6.692 102 HG3 ARG 11 HG3 ARG 11 13.919 4.822 7.744 103 HD2 ARG 11 HD2 ARG 11 13.230 7.027 8.629 104 HD3 ARG 11 HD3 ARG 11 11.774 6.941 7.639 105 HE ARG 11 HE ARG 11 11.787 4.636 9.136 106 HH11 ARG 11 HH12 ARG 11 11.787 8.060 9.782 107 HH12 ARG 11 HH11 ARG 11 10.936 7.908 11.283 108 HH21 ARG 11 HH22 ARG 11 10.666 4.426 11.111 109 HH22 ARG 11 HH21 ARG 11 10.297 5.843 12.038 110 H THR 12 HN THR 12 15.017 5.058 2.624 111 HA THR 12 HA THR 12 16.692 7.467 2.334 112 HB THR 12 HB THR 12 17.770 6.368 0.409 113 HG1 THR 12 HG1 THR 12 15.744 4.617 0.743 114 HG21 THR 12 HG21 THR 12 18.797 6.188 2.620 115 HG22 THR 12 HG22 THR 12 19.081 4.728 1.673 116 HG23 THR 12 HG23 THR 12 17.858 4.730 2.944 117 H ASP 13 HN ASP 13 14.326 5.385 0.699 118 HA ASP 13 HA ASP 13 13.832 7.348 -1.358 119 HB2 ASP 13 HB2 ASP 13 12.537 4.703 -0.690 120 HB3 ASP 13 HB3 ASP 13 11.987 5.732 -2.008 121 H ILE 14 HN ILE 14 12.932 9.181 -0.587 122 HA ILE 14 HA ILE 14 10.744 9.045 1.320 123 HB ILE 14 HB ILE 14 10.855 11.568 1.173 124 HG12 ILE 14 HG12 ILE 14 13.460 11.024 -0.265 125 HG13 ILE 14 HG13 ILE 14 11.996 11.570 -1.079 126 HG21 ILE 14 HG21 ILE 14 13.332 10.072 2.018 127 HG22 ILE 14 HG22 ILE 14 12.881 11.693 2.548 128 HG23 ILE 14 HG23 ILE 14 11.877 10.310 2.984 129 HD11 ILE 14 HD11 ILE 14 13.462 13.062 1.085 130 HD12 ILE 14 HD12 ILE 14 13.526 13.409 -0.644 131 HD13 ILE 14 HD13 ILE 14 12.015 13.611 0.242 132 H SER 15 HN SER 15 8.708 8.973 0.724 133 HA SER 15 HA SER 15 7.961 9.538 -2.028 134 HB2 SER 15 HB2 SER 15 6.327 8.435 0.270 135 HB3 SER 15 HB3 SER 15 5.785 8.556 -1.403 136 HG SER 15 HG SER 15 6.545 6.522 -1.222 137 H THR 16 HN THR 16 7.004 11.352 -2.680 138 HA THR 16 HA THR 16 6.246 13.334 -0.671 139 HB THR 16 HB THR 16 6.160 14.926 -2.558 140 HG1 THR 16 HG1 THR 16 7.179 13.962 -4.572 141 HG21 THR 16 HG21 THR 16 8.267 14.598 -1.349 142 HG22 THR 16 HG22 THR 16 8.557 14.956 -3.052 143 HG23 THR 16 HG23 THR 16 8.704 13.300 -2.461 144 H SER 17 HN SER 17 4.227 12.941 0.039 145 HA SER 17 HA SER 17 1.969 12.695 0.073 146 HB2 SER 17 HB2 SER 17 2.202 14.084 -2.605 147 HB3 SER 17 HB3 SER 17 0.699 13.867 -1.711 148 HG SER 17 HG SER 17 1.502 15.880 -1.217 149 H SEP 18 HN SER 18 2.166 10.398 -0.021 150 HA SEP 18 HA SER 18 0.775 9.262 -2.283 151 HB2 SEP 18 HB2 SER 18 3.544 8.267 -1.565 152 HB3 SEP 18 HB3 SER 18 2.460 7.534 -2.746 153 H SER 19 HN SER 19 -0.692 7.930 -1.471 154 HA SER 19 HA SER 19 -0.056 6.475 1.012 155 HB2 SER 19 HB2 SER 19 -2.743 7.621 0.231 156 HB3 SER 19 HB3 SER 19 -2.388 6.712 1.699 157 HG SER 19 HG SER 19 -0.866 8.404 2.210 158 H SER 20 HN SER 20 -0.701 4.359 1.158 159 HA SER 20 HA SER 20 -1.004 2.921 -1.258 160 HB2 SER 20 HB2 SER 20 0.069 1.939 0.722 161 HB3 SER 20 HB3 SER 20 -1.465 2.002 1.591 162 HG SER 20 HG SER 20 -0.922 0.505 -0.759 163 H ILE 21 HN ILE 21 -2.769 2.802 -2.453 164 HA ILE 21 HA ILE 21 -5.393 2.927 -1.124 165 HB ILE 21 HB ILE 21 -4.997 4.792 -2.656 166 HG12 ILE 21 HG12 ILE 21 -7.003 2.825 -3.784 167 HG13 ILE 21 HG13 ILE 21 -7.281 3.856 -2.384 168 HG21 ILE 21 HG21 ILE 21 -3.410 3.729 -4.156 169 HG22 ILE 21 HG22 ILE 21 -4.676 2.665 -4.771 170 HG23 ILE 21 HG23 ILE 21 -4.761 4.402 -5.068 171 HD11 ILE 21 HD11 ILE 21 -7.062 5.830 -3.783 172 HD12 ILE 21 HD12 ILE 21 -6.743 4.814 -5.188 173 HD13 ILE 21 HD13 ILE 21 -8.319 4.755 -4.395 174 H SER 22 HN SER 22 -6.986 1.458 -1.680 175 HA SER 22 HA SER 22 -7.881 -0.535 -2.297 176 HB2 SER 22 HB2 SER 22 -5.939 -0.329 -4.612 177 HB3 SER 22 HB3 SER 22 -7.316 -1.428 -4.519 178 HG SER 22 HG SER 22 -8.615 0.164 -4.997 179 H SER 23 HN SER 23 -7.366 -1.979 -0.766 180 HA SER 23 HA SER 23 -5.049 -3.689 -1.250 181 HB2 SER 23 HB2 SER 23 -4.269 -2.019 0.377 182 HB3 SER 23 HB3 SER 23 -5.628 -2.404 1.432 183 HG SER 23 HG SER 23 -3.753 -3.514 2.076 184 H SER 24 HN SER 24 -5.480 -5.792 -0.925 185 HA SER 24 HA SER 24 -8.137 -6.495 0.062 186 HB2 SER 24 HB2 SER 24 -7.662 -8.720 -0.917 187 HB3 SER 24 HB3 SER 24 -7.486 -7.423 -2.099 188 HG SER 24 HG SER 24 -5.180 -7.511 -1.546 189 H GLU 25 HN GLU 25 -7.736 -9.088 0.897 190 HA GLU 25 HA GLU 25 -6.001 -8.754 3.254 191 HB2 GLU 25 HB2 GLU 25 -8.411 -8.626 3.809 192 HB3 GLU 25 HB3 GLU 25 -8.636 -10.229 3.123 193 HG2 GLU 25 HG2 GLU 25 -8.515 -10.363 5.525 194 HG3 GLU 25 HG3 GLU 25 -7.115 -11.155 4.804 195 H GLU 26 HN GLU 26 -7.339 -11.000 0.884 196 HA GLU 26 HA GLU 26 -5.889 -13.265 1.860 197 HB2 GLU 26 HB2 GLU 26 -7.998 -13.491 0.605 198 HB3 GLU 26 HB3 GLU 26 -7.218 -12.820 -0.820 199 HG2 GLU 26 HG2 GLU 26 -7.385 -15.227 -0.987 200 HG3 GLU 26 HG3 GLU 26 -5.697 -14.729 -0.889 201 H ASN 27 HN ASN 27 -5.018 -10.554 0.089 202 HA ASN 27 HA ASN 27 -2.447 -11.758 -0.583 203 HB2 ASN 27 HB2 ASN 27 -4.249 -10.378 -2.574 204 HB3 ASN 27 HB3 ASN 27 -2.523 -10.605 -2.841 205 HD21 ASN 27 HD21 ASN 27 -1.734 -12.630 -3.297 206 HD22 ASN 27 HD22 ASN 27 -2.756 -13.971 -3.678 207 H ASP 28 HN ASP 28 -1.096 -10.538 0.569 208 HA ASP 28 HA ASP 28 -0.802 -7.759 -0.013 209 HB2 ASP 28 HB2 ASP 28 -1.182 -6.935 2.292 210 HB3 ASP 28 HB3 ASP 28 -2.653 -7.546 1.542 211 H PHE 29 HN PHE 29 1.310 -7.412 0.005 212 HA PHE 29 HA PHE 29 3.004 -8.078 2.166 213 HB2 PHE 29 HB2 PHE 29 2.624 -10.323 0.905 214 HB3 PHE 29 HB3 PHE 29 3.710 -9.638 -0.299 215 HD1 PHE 29 HD1 PHE 29 6.029 -8.986 0.390 216 HD2 PHE 29 HD2 PHE 29 3.447 -11.246 2.900 217 HE1 PHE 29 HE1 PHE 29 7.967 -9.716 1.717 218 HE2 PHE 29 HE2 PHE 29 5.378 -11.984 4.234 219 HZ PHE 29 HZ PHE 29 7.636 -11.222 3.649 220 H TRP 30 HN TRP 30 2.619 -7.192 -1.177 221 HA TRP 30 HA TRP 30 4.831 -5.279 -0.887 222 HB2 TRP 30 HB2 TRP 30 4.356 -7.201 -3.153 223 HB3 TRP 30 HB3 TRP 30 5.240 -5.701 -3.403 224 HD1 TRP 30 HD1 TRP 30 5.732 -9.215 -2.337 225 HE1 TRP 30 HE1 TRP 30 8.125 -9.546 -1.442 226 HE3 TRP 30 HE3 TRP 30 7.115 -4.319 -1.906 227 HZ2 TRP 30 HZ2 TRP 30 10.312 -7.939 -0.657 228 HZ3 TRP 30 HZ3 TRP 30 9.373 -3.796 -1.074 229 HH2 TRP 30 HH2 TRP 30 10.936 -5.571 -0.463 230 H GLN 31 HN GLN 31 3.021 -5.848 -3.824 231 HA GLN 31 HA GLN 31 1.285 -3.562 -3.308 232 HB2 GLN 31 HB2 GLN 31 3.164 -3.749 -5.669 233 HB3 GLN 31 HB3 GLN 31 1.856 -2.586 -5.535 234 HG2 GLN 31 HG2 GLN 31 2.906 -1.630 -3.548 235 HG3 GLN 31 HG3 GLN 31 4.219 -2.797 -3.685 236 HE21 GLN 31 HE21 GLN 31 4.287 0.122 -3.764 237 HE22 GLN 31 HE22 GLN 31 5.021 0.541 -5.269 238 HA PRO 32 HA PRO 32 -0.644 -7.234 -5.544 239 HB2 PRO 32 HB2 PRO 32 -2.736 -6.843 -3.504 240 HB3 PRO 32 HB3 PRO 32 -1.903 -8.323 -3.989 241 HG2 PRO 32 HG2 PRO 32 -1.416 -7.152 -1.629 242 HG3 PRO 32 HG3 PRO 32 -0.138 -7.962 -2.552 243 HD2 PRO 32 HD2 PRO 32 -0.728 -5.036 -2.296 244 HD3 PRO 32 HD3 PRO 32 0.839 -5.874 -2.297 245 H LYS 33 HN LYS 33 -2.273 -7.086 -7.031 246 HA LYS 33 HA LYS 33 -3.407 -4.443 -7.434 247 HB2 LYS 33 HB2 LYS 33 -3.309 -6.942 -9.111 248 HB3 LYS 33 HB3 LYS 33 -4.298 -5.564 -9.565 249 HG2 LYS 33 HG2 LYS 33 -2.235 -5.444 -10.756 250 HG3 LYS 33 HG3 LYS 33 -2.253 -4.158 -9.549 251 HD2 LYS 33 HD2 LYS 33 -0.781 -5.372 -8.121 252 HD3 LYS 33 HD3 LYS 33 -0.925 -6.826 -9.112 253 HE2 LYS 33 HE2 LYS 33 0.212 -5.732 -10.944 254 HE3 LYS 33 HE3 LYS 33 0.268 -4.218 -10.044 255 HZ1 LYS 33 HZ1 LYS 33 2.374 -5.447 -9.978 256 HZ2 LYS 33 HZ2 LYS 33 1.599 -6.736 -9.204 257 HZ3 LYS 33 HZ3 LYS 33 1.715 -5.235 -8.434 258 HA PRO 34 HA PRO 34 -7.416 -5.483 -5.890 259 HB2 PRO 34 HB2 PRO 34 -8.991 -3.791 -7.269 260 HB3 PRO 34 HB3 PRO 34 -7.847 -3.218 -6.047 261 HG2 PRO 34 HG2 PRO 34 -7.565 -3.269 -9.029 262 HG3 PRO 34 HG3 PRO 34 -7.147 -1.977 -7.888 263 HD2 PRO 34 HD2 PRO 34 -5.312 -3.702 -8.922 264 HD3 PRO 34 HD3 PRO 34 -5.146 -2.952 -7.322 265 H THR 35 HN THR 35 -6.336 -6.658 -8.638 266 HA THR 35 HA THR 35 -7.150 -7.815 -10.452 267 HB THR 35 HB THR 35 -7.019 -9.585 -8.904 268 HG1 THR 35 HG1 THR 35 -9.257 -10.640 -9.386 269 HG21 THR 35 HG21 THR 35 -8.755 -10.113 -7.261 270 HG22 THR 35 HG22 THR 35 -9.667 -8.688 -7.758 271 HG23 THR 35 HG23 THR 35 -8.091 -8.502 -6.988 Start of MODEL 14 1 H1 GLU 1 H1 GLU 1 19.335 10.596 9.617 2 H2 GLU 1 H2 GLU 1 19.135 12.259 9.859 3 H3 GLU 1 H3 GLU 1 20.083 11.357 10.932 4 HA GLU 1 HA GLU 1 21.520 12.592 9.514 5 HB2 GLU 1 HB2 GLU 1 21.387 9.645 8.860 6 HB3 GLU 1 HB3 GLU 1 22.726 10.680 8.386 7 HG2 GLU 1 HG2 GLU 1 23.392 9.557 10.347 8 HG3 GLU 1 HG3 GLU 1 23.042 11.219 10.813 9 H LYS 2 HN LYS 2 22.491 12.574 7.228 10 HA LYS 2 HA LYS 2 20.324 12.539 5.233 11 HB2 LYS 2 HB2 LYS 2 22.503 14.614 5.532 12 HB3 LYS 2 HB3 LYS 2 21.350 14.549 4.208 13 HG2 LYS 2 HG2 LYS 2 20.562 14.859 7.094 14 HG3 LYS 2 HG3 LYS 2 20.817 16.210 5.990 15 HD2 LYS 2 HD2 LYS 2 18.833 13.979 5.549 16 HD3 LYS 2 HD3 LYS 2 18.432 15.560 6.223 17 HE2 LYS 2 HE2 LYS 2 19.525 14.984 3.472 18 HE3 LYS 2 HE3 LYS 2 17.897 15.529 3.868 19 HZ1 LYS 2 HZ1 LYS 2 20.400 17.069 4.306 20 HZ2 LYS 2 HZ2 LYS 2 18.845 17.593 4.719 21 HZ3 LYS 2 HZ3 LYS 2 19.253 17.359 3.095 22 H LEU 3 HN LEU 3 23.189 11.213 6.115 23 HA LEU 3 HA LEU 3 24.231 10.964 3.412 24 HB2 LEU 3 HB2 LEU 3 25.362 10.315 6.114 25 HB3 LEU 3 HB3 LEU 3 26.105 9.720 4.645 26 HG LEU 3 HG LEU 3 27.274 11.690 5.404 27 HD11 LEU 3 HD11 LEU 3 27.092 11.369 2.997 28 HD12 LEU 3 HD12 LEU 3 25.595 12.301 2.976 29 HD13 LEU 3 HD13 LEU 3 27.115 13.084 3.410 30 HD21 LEU 3 HD21 LEU 3 26.185 13.864 5.565 31 HD22 LEU 3 HD22 LEU 3 24.628 13.122 5.195 32 HD23 LEU 3 HD23 LEU 3 25.466 12.712 6.692 33 H LYS 4 HN LYS 4 21.781 9.671 4.213 34 HA LYS 4 HA LYS 4 22.308 6.878 4.589 35 HB2 LYS 4 HB2 LYS 4 19.760 8.220 3.671 36 HB3 LYS 4 HB3 LYS 4 19.912 6.587 4.306 37 HG2 LYS 4 HG2 LYS 4 20.429 7.382 6.478 38 HG3 LYS 4 HG3 LYS 4 20.636 9.034 5.893 39 HD2 LYS 4 HD2 LYS 4 18.514 8.919 6.970 40 HD3 LYS 4 HD3 LYS 4 18.224 9.009 5.232 41 HE2 LYS 4 HE2 LYS 4 16.771 7.356 6.310 42 HE3 LYS 4 HE3 LYS 4 17.862 6.608 5.144 43 HZ1 LYS 4 HZ1 LYS 4 19.303 5.963 6.990 44 HZ2 LYS 4 HZ2 LYS 4 17.753 5.309 7.160 45 HZ3 LYS 4 HZ3 LYS 4 18.215 6.641 8.094 46 H GLN 5 HN GLN 5 21.168 8.851 1.862 47 HA GLN 5 HA GLN 5 22.355 6.917 0.020 48 HB2 GLN 5 HB2 GLN 5 20.336 6.943 -1.405 49 HB3 GLN 5 HB3 GLN 5 20.037 6.215 0.168 50 HG2 GLN 5 HG2 GLN 5 18.966 8.241 0.937 51 HG3 GLN 5 HG3 GLN 5 19.335 9.042 -0.589 52 HE21 GLN 5 HE21 GLN 5 17.375 6.641 0.993 53 HE22 GLN 5 HE22 GLN 5 16.204 6.478 -0.266 54 H ASP 6 HN ASP 6 21.390 8.057 -2.338 55 HA ASP 6 HA ASP 6 21.818 9.713 -3.832 56 HB2 ASP 6 HB2 ASP 6 20.284 10.989 -2.323 57 HB3 ASP 6 HB3 ASP 6 21.696 11.578 -1.451 58 H ILE 7 HN ILE 7 23.964 8.600 -1.772 59 HA ILE 7 HA ILE 7 26.035 10.547 -1.790 60 HB ILE 7 HB ILE 7 26.355 7.558 -1.507 61 HG12 ILE 7 HG12 ILE 7 25.888 9.625 0.653 62 HG13 ILE 7 HG13 ILE 7 24.682 8.479 0.082 63 HG21 ILE 7 HG21 ILE 7 28.073 9.849 -0.562 64 HG22 ILE 7 HG22 ILE 7 28.379 8.139 -0.267 65 HG23 ILE 7 HG23 ILE 7 28.434 8.773 -1.911 66 HD11 ILE 7 HD11 ILE 7 27.215 7.900 1.579 67 HD12 ILE 7 HD12 ILE 7 25.555 7.613 2.093 68 HD13 ILE 7 HD13 ILE 7 26.254 6.649 0.793 69 H LEU 8 HN LEU 8 25.474 7.611 -3.684 70 HA LEU 8 HA LEU 8 27.065 8.771 -5.862 71 HB2 LEU 8 HB2 LEU 8 27.247 5.927 -4.855 72 HB3 LEU 8 HB3 LEU 8 28.011 6.521 -6.317 73 HG LEU 8 HG LEU 8 28.630 7.524 -3.536 74 HD11 LEU 8 HD11 LEU 8 30.153 5.610 -5.298 75 HD12 LEU 8 HD12 LEU 8 30.730 6.286 -3.775 76 HD13 LEU 8 HD13 LEU 8 29.330 5.212 -3.791 77 HD21 LEU 8 HD21 LEU 8 29.031 9.188 -5.261 78 HD22 LEU 8 HD22 LEU 8 30.558 8.576 -4.625 79 HD23 LEU 8 HD23 LEU 8 29.970 8.021 -6.192 80 H ASN 9 HN ASN 9 24.183 8.501 -5.291 81 HA ASN 9 HA ASN 9 22.251 8.027 -6.383 82 HB2 ASN 9 HB2 ASN 9 23.563 8.951 -8.324 83 HB3 ASN 9 HB3 ASN 9 23.991 7.295 -8.745 84 HD21 ASN 9 HD21 ASN 9 20.893 8.242 -7.432 85 HD22 ASN 9 HD22 ASN 9 19.975 7.920 -8.859 86 H LEU 10 HN LEU 10 23.941 5.919 -5.035 87 HA LEU 10 HA LEU 10 22.681 3.555 -6.270 88 HB2 LEU 10 HB2 LEU 10 25.289 3.827 -6.106 89 HB3 LEU 10 HB3 LEU 10 25.039 3.353 -4.438 90 HG LEU 10 HG LEU 10 25.684 1.446 -5.809 91 HD11 LEU 10 HD11 LEU 10 23.871 -0.081 -5.220 92 HD12 LEU 10 HD12 LEU 10 24.230 1.038 -3.903 93 HD13 LEU 10 HD13 LEU 10 22.809 1.293 -4.918 94 HD21 LEU 10 HD21 LEU 10 24.772 2.254 -7.944 95 HD22 LEU 10 HD22 LEU 10 24.266 0.603 -7.581 96 HD23 LEU 10 HD23 LEU 10 23.140 1.941 -7.351 97 H ARG 11 HN ARG 11 20.867 3.193 -5.143 98 HA ARG 11 HA ARG 11 20.376 3.899 -2.490 99 HB2 ARG 11 HB2 ARG 11 19.123 1.673 -4.106 100 HB3 ARG 11 HB3 ARG 11 18.468 2.334 -2.615 101 HG2 ARG 11 HG2 ARG 11 18.227 4.518 -3.707 102 HG3 ARG 11 HG3 ARG 11 18.852 3.820 -5.203 103 HD2 ARG 11 HD2 ARG 11 16.976 2.258 -5.264 104 HD3 ARG 11 HD3 ARG 11 16.357 2.932 -3.758 105 HE ARG 11 HE ARG 11 16.647 4.989 -5.658 106 HH11 ARG 11 HH12 ARG 11 14.668 2.201 -4.978 107 HH12 ARG 11 HH11 ARG 11 13.272 2.836 -5.783 108 HH21 ARG 11 HH22 ARG 11 14.814 5.832 -6.715 109 HH22 ARG 11 HH21 ARG 11 13.355 4.901 -6.771 110 H THR 12 HN THR 12 21.282 3.179 -0.694 111 HA THR 12 HA THR 12 22.537 0.534 -0.669 112 HB THR 12 HB THR 12 22.758 2.760 1.368 113 HG1 THR 12 HG1 THR 12 24.949 2.836 0.342 114 HG21 THR 12 HG21 THR 12 23.211 0.519 2.278 115 HG22 THR 12 HG22 THR 12 24.670 1.508 2.218 116 HG23 THR 12 HG23 THR 12 24.405 0.252 1.008 117 H ASP 13 HN ASP 13 20.292 2.506 1.258 118 HA ASP 13 HA ASP 13 19.684 0.381 3.071 119 HB2 ASP 13 HB2 ASP 13 17.863 1.923 3.840 120 HB3 ASP 13 HB3 ASP 13 19.472 2.639 3.860 121 H ILE 14 HN ILE 14 18.734 -1.387 2.293 122 HA ILE 14 HA ILE 14 16.192 -1.058 0.858 123 HB ILE 14 HB ILE 14 18.350 -3.046 0.134 124 HG12 ILE 14 HG12 ILE 14 17.139 -0.786 -1.477 125 HG13 ILE 14 HG13 ILE 14 18.711 -0.725 -0.685 126 HG21 ILE 14 HG21 ILE 14 16.172 -4.082 -0.040 127 HG22 ILE 14 HG22 ILE 14 15.561 -2.711 -0.966 128 HG23 ILE 14 HG23 ILE 14 16.804 -3.756 -1.653 129 HD11 ILE 14 HD11 ILE 14 19.491 -2.558 -2.097 130 HD12 ILE 14 HD12 ILE 14 17.917 -2.607 -2.895 131 HD13 ILE 14 HD13 ILE 14 18.942 -1.181 -3.053 132 H SER 15 HN SER 15 14.858 -1.634 2.492 133 HA SER 15 HA SER 15 15.299 -4.275 3.727 134 HB2 SER 15 HB2 SER 15 13.872 -1.878 4.906 135 HB3 SER 15 HB3 SER 15 14.060 -3.447 5.687 136 HG SER 15 HG SER 15 16.467 -2.754 5.006 137 H THR 16 HN THR 16 13.645 -2.959 1.361 138 HA THR 16 HA THR 16 11.631 -3.241 0.342 139 HB THR 16 HB THR 16 10.730 -5.530 0.364 140 HG1 THR 16 HG1 THR 16 12.348 -6.946 1.734 141 HG21 THR 16 HG21 THR 16 12.650 -5.017 -1.062 142 HG22 THR 16 HG22 THR 16 12.734 -6.674 -0.465 143 HG23 THR 16 HG23 THR 16 13.747 -5.425 0.258 144 H SER 17 HN SER 17 10.424 -1.677 1.426 145 HA SER 17 HA SER 17 8.493 -2.775 3.358 146 HB2 SER 17 HB2 SER 17 9.770 -0.028 3.466 147 HB3 SER 17 HB3 SER 17 8.497 -0.608 4.541 148 HG SER 17 HG SER 17 11.200 -1.191 4.511 149 H SEP 18 HN SER 18 6.414 -2.403 2.894 150 HA SEP 18 HA SER 18 5.809 -0.840 0.505 151 HB2 SEP 18 HB2 SER 18 4.101 -2.731 2.138 152 HB3 SEP 18 HB3 SER 18 3.562 -1.901 0.680 153 H SER 19 HN SER 19 3.529 0.257 0.639 154 HA SER 19 HA SER 19 2.796 1.427 3.137 155 HB2 SER 19 HB2 SER 19 3.378 3.761 2.577 156 HB3 SER 19 HB3 SER 19 4.816 2.749 2.722 157 HG SER 19 HG SER 19 4.026 2.638 0.203 158 H SER 20 HN SER 20 2.124 0.421 0.137 159 HA SER 20 HA SER 20 0.136 2.362 -0.626 160 HB2 SER 20 HB2 SER 20 -0.380 0.781 -2.448 161 HB3 SER 20 HB3 SER 20 1.352 1.101 -2.344 162 HG SER 20 HG SER 20 -0.018 -1.172 -1.334 163 H ILE 21 HN ILE 21 -2.130 1.597 -1.104 164 HA ILE 21 HA ILE 21 -3.124 -0.427 0.746 165 HB ILE 21 HB ILE 21 -3.192 1.660 2.041 166 HG12 ILE 21 HG12 ILE 21 -5.949 0.763 1.165 167 HG13 ILE 21 HG13 ILE 21 -4.942 -0.081 2.339 168 HG21 ILE 21 HG21 ILE 21 -3.350 3.237 0.193 169 HG22 ILE 21 HG22 ILE 21 -4.979 2.668 -0.171 170 HG23 ILE 21 HG23 ILE 21 -4.654 3.500 1.351 171 HD11 ILE 21 HD11 ILE 21 -6.612 1.225 3.475 172 HD12 ILE 21 HD12 ILE 21 -5.018 1.913 3.786 173 HD13 ILE 21 HD13 ILE 21 -6.100 2.684 2.625 174 H SER 22 HN SER 22 -4.974 -1.426 0.058 175 HA SER 22 HA SER 22 -6.542 -2.164 -1.415 176 HB2 SER 22 HB2 SER 22 -6.842 0.801 -1.958 177 HB3 SER 22 HB3 SER 22 -7.992 -0.442 -2.451 178 HG SER 22 HG SER 22 -7.741 -0.903 0.037 179 H SER 23 HN SER 23 -7.344 -1.364 -3.922 180 HA SER 23 HA SER 23 -4.965 -1.047 -5.565 181 HB2 SER 23 HB2 SER 23 -5.083 -3.473 -5.213 182 HB3 SER 23 HB3 SER 23 -6.752 -3.482 -5.782 183 HG SER 23 HG SER 23 -4.380 -3.227 -7.212 184 H SER 24 HN SER 24 -8.043 -0.251 -4.906 185 HA SER 24 HA SER 24 -9.706 0.846 -5.999 186 HB2 SER 24 HB2 SER 24 -7.539 1.331 -8.059 187 HB3 SER 24 HB3 SER 24 -9.069 2.204 -7.955 188 HG SER 24 HG SER 24 -7.766 3.474 -6.813 189 H GLU 25 HN GLU 25 -10.524 1.097 -8.553 190 HA GLU 25 HA GLU 25 -11.669 0.050 -10.207 191 HB2 GLU 25 HB2 GLU 25 -9.442 -0.588 -10.990 192 HB3 GLU 25 HB3 GLU 25 -9.464 -2.001 -9.944 193 HG2 GLU 25 HG2 GLU 25 -11.275 -2.965 -11.205 194 HG3 GLU 25 HG3 GLU 25 -11.394 -1.514 -12.199 195 H GLU 26 HN GLU 26 -10.525 -2.963 -8.760 196 HA GLU 26 HA GLU 26 -13.308 -3.733 -8.300 197 HB2 GLU 26 HB2 GLU 26 -11.942 -5.277 -9.604 198 HB3 GLU 26 HB3 GLU 26 -10.767 -5.372 -8.299 199 HG2 GLU 26 HG2 GLU 26 -12.371 -6.460 -6.873 200 HG3 GLU 26 HG3 GLU 26 -13.633 -6.262 -8.087 201 H ASN 27 HN ASN 27 -14.109 -4.301 -6.319 202 HA ASN 27 HA ASN 27 -12.674 -3.296 -4.021 203 HB2 ASN 27 HB2 ASN 27 -14.754 -3.786 -2.795 204 HB3 ASN 27 HB3 ASN 27 -15.060 -2.831 -4.242 205 HD21 ASN 27 HD21 ASN 27 -15.441 -5.911 -2.704 206 HD22 ASN 27 HD22 ASN 27 -16.581 -6.562 -3.827 207 H ASP 28 HN ASP 28 -11.632 -4.454 -2.518 208 HA ASP 28 HA ASP 28 -12.208 -7.146 -1.860 209 HB2 ASP 28 HB2 ASP 28 -11.177 -7.623 -4.024 210 HB3 ASP 28 HB3 ASP 28 -9.751 -6.696 -3.570 211 H PHE 29 HN PHE 29 -11.803 -7.086 0.248 212 HA PHE 29 HA PHE 29 -9.187 -6.292 1.186 213 HB2 PHE 29 HB2 PHE 29 -10.385 -4.163 1.208 214 HB3 PHE 29 HB3 PHE 29 -11.679 -4.887 2.160 215 HD1 PHE 29 HD1 PHE 29 -8.006 -4.275 2.265 216 HD2 PHE 29 HD2 PHE 29 -11.633 -4.695 4.452 217 HE1 PHE 29 HE1 PHE 29 -6.826 -3.660 4.334 218 HE2 PHE 29 HE2 PHE 29 -10.460 -4.080 6.524 219 HZ PHE 29 HZ PHE 29 -8.052 -3.562 6.468 220 H TRP 30 HN TRP 30 -12.380 -7.533 1.882 221 HA TRP 30 HA TRP 30 -11.349 -8.883 4.272 222 HB2 TRP 30 HB2 TRP 30 -14.126 -8.218 3.336 223 HB3 TRP 30 HB3 TRP 30 -13.861 -9.457 4.558 224 HD1 TRP 30 HD1 TRP 30 -14.190 -5.765 4.149 225 HE1 TRP 30 HE1 TRP 30 -13.767 -4.593 6.403 226 HE3 TRP 30 HE3 TRP 30 -12.279 -9.715 6.766 227 HZ2 TRP 30 HZ2 TRP 30 -12.757 -5.259 8.956 228 HZ3 TRP 30 HZ3 TRP 30 -11.609 -9.366 9.110 229 HH2 TRP 30 HH2 TRP 30 -11.843 -7.183 10.181 230 H GLN 31 HN GLN 31 -14.102 -10.147 2.567 231 HA GLN 31 HA GLN 31 -12.539 -12.266 1.326 232 HB2 GLN 31 HB2 GLN 31 -14.664 -12.806 3.408 233 HB3 GLN 31 HB3 GLN 31 -13.930 -14.030 2.383 234 HG2 GLN 31 HG2 GLN 31 -11.766 -13.613 3.382 235 HG3 GLN 31 HG3 GLN 31 -12.448 -12.312 4.359 236 HE21 GLN 31 HE21 GLN 31 -12.233 -15.746 3.897 237 HE22 GLN 31 HE22 GLN 31 -12.902 -16.201 5.423 238 HA PRO 32 HA PRO 32 -16.407 -10.763 -0.956 239 HB2 PRO 32 HB2 PRO 32 -14.453 -10.525 -3.163 240 HB3 PRO 32 HB3 PRO 32 -15.680 -9.378 -2.618 241 HG2 PRO 32 HG2 PRO 32 -13.083 -8.941 -2.165 242 HG3 PRO 32 HG3 PRO 32 -14.319 -8.491 -0.978 243 HD2 PRO 32 HD2 PRO 32 -12.481 -10.857 -0.998 244 HD3 PRO 32 HD3 PRO 32 -12.971 -9.824 0.362 245 H LYS 33 HN LYS 33 -13.750 -12.927 -1.672 246 HA LYS 33 HA LYS 33 -15.507 -14.576 -3.354 247 HB2 LYS 33 HB2 LYS 33 -12.495 -14.566 -3.057 248 HB3 LYS 33 HB3 LYS 33 -13.396 -15.669 -4.088 249 HG2 LYS 33 HG2 LYS 33 -13.906 -14.042 -5.623 250 HG3 LYS 33 HG3 LYS 33 -13.764 -12.736 -4.445 251 HD2 LYS 33 HD2 LYS 33 -11.902 -12.578 -5.932 252 HD3 LYS 33 HD3 LYS 33 -11.303 -13.170 -4.380 253 HE2 LYS 33 HE2 LYS 33 -12.052 -15.056 -6.590 254 HE3 LYS 33 HE3 LYS 33 -10.462 -14.301 -6.533 255 HZ1 LYS 33 HZ1 LYS 33 -11.667 -16.072 -4.480 256 HZ2 LYS 33 HZ2 LYS 33 -10.212 -15.235 -4.269 257 HZ3 LYS 33 HZ3 LYS 33 -10.339 -16.418 -5.473 258 HA PRO 34 HA PRO 34 -15.824 -17.785 -0.346 259 HB2 PRO 34 HB2 PRO 34 -15.236 -20.042 -1.817 260 HB3 PRO 34 HB3 PRO 34 -16.806 -19.233 -1.810 261 HG2 PRO 34 HG2 PRO 34 -14.576 -19.027 -3.789 262 HG3 PRO 34 HG3 PRO 34 -16.324 -19.094 -4.073 263 HD2 PRO 34 HD2 PRO 34 -14.964 -16.784 -4.205 264 HD3 PRO 34 HD3 PRO 34 -16.621 -16.853 -3.570 265 H THR 35 HN THR 35 -12.929 -17.151 -1.957 266 HA THR 35 HA THR 35 -11.362 -18.122 0.246 267 HB THR 35 HB THR 35 -10.869 -19.331 -2.486 268 HG1 THR 35 HG1 THR 35 -12.014 -20.969 -1.797 269 HG21 THR 35 HG21 THR 35 -9.144 -20.648 -1.330 270 HG22 THR 35 HG22 THR 35 -9.462 -19.752 0.155 271 HG23 THR 35 HG23 THR 35 -8.803 -18.919 -1.252 Start of MODEL 15 1 H1 GLU 1 H1 GLU 1 19.378 5.409 15.359 2 H2 GLU 1 H2 GLU 1 18.164 6.469 15.870 3 H3 GLU 1 H3 GLU 1 19.683 7.072 15.441 4 HA GLU 1 HA GLU 1 17.766 5.749 13.615 5 HB2 GLU 1 HB2 GLU 1 17.443 7.934 12.626 6 HB3 GLU 1 HB3 GLU 1 17.093 8.020 14.347 7 HG2 GLU 1 HG2 GLU 1 19.293 9.001 14.747 8 HG3 GLU 1 HG3 GLU 1 19.642 8.916 13.021 9 H LYS 2 HN LYS 2 18.398 5.849 11.375 10 HA LYS 2 HA LYS 2 21.206 6.393 10.820 11 HB2 LYS 2 HB2 LYS 2 21.500 4.192 9.716 12 HB3 LYS 2 HB3 LYS 2 21.266 4.064 11.454 13 HG2 LYS 2 HG2 LYS 2 18.951 3.423 11.121 14 HG3 LYS 2 HG3 LYS 2 19.136 3.613 9.376 15 HD2 LYS 2 HD2 LYS 2 20.755 1.693 11.045 16 HD3 LYS 2 HD3 LYS 2 19.279 1.250 10.187 17 HE2 LYS 2 HE2 LYS 2 20.293 1.829 8.070 18 HE3 LYS 2 HE3 LYS 2 21.743 2.405 8.890 19 HZ1 LYS 2 HZ1 LYS 2 20.758 -0.396 8.936 20 HZ2 LYS 2 HZ2 LYS 2 22.178 0.172 9.656 21 HZ3 LYS 2 HZ3 LYS 2 22.027 0.176 7.972 22 H LEU 3 HN LEU 3 21.569 5.790 8.340 23 HA LEU 3 HA LEU 3 19.240 6.252 6.714 24 HB2 LEU 3 HB2 LEU 3 19.971 8.299 5.712 25 HB3 LEU 3 HB3 LEU 3 19.901 8.520 7.449 26 HG LEU 3 HG LEU 3 22.479 7.911 6.015 27 HD11 LEU 3 HD11 LEU 3 22.950 10.307 6.085 28 HD12 LEU 3 HD12 LEU 3 21.553 9.955 5.069 29 HD13 LEU 3 HD13 LEU 3 21.321 10.612 6.690 30 HD21 LEU 3 HD21 LEU 3 22.496 7.497 8.403 31 HD22 LEU 3 HD22 LEU 3 23.462 8.923 8.030 32 HD23 LEU 3 HD23 LEU 3 21.844 9.105 8.710 33 H LYS 4 HN LYS 4 19.490 5.619 4.607 34 HA LYS 4 HA LYS 4 22.070 4.361 3.957 35 HB2 LYS 4 HB2 LYS 4 19.359 3.812 2.741 36 HB3 LYS 4 HB3 LYS 4 20.835 2.894 2.481 37 HG2 LYS 4 HG2 LYS 4 20.744 1.899 4.556 38 HG3 LYS 4 HG3 LYS 4 19.738 3.178 5.240 39 HD2 LYS 4 HD2 LYS 4 18.393 1.206 4.964 40 HD3 LYS 4 HD3 LYS 4 17.878 2.413 3.783 41 HE2 LYS 4 HE2 LYS 4 19.182 1.288 2.053 42 HE3 LYS 4 HE3 LYS 4 19.731 0.096 3.230 43 HZ1 LYS 4 HZ1 LYS 4 17.471 -0.652 3.510 44 HZ2 LYS 4 HZ2 LYS 4 17.886 -0.716 1.870 45 HZ3 LYS 4 HZ3 LYS 4 16.900 0.534 2.446 46 H GLN 5 HN GLN 5 19.900 6.850 3.069 47 HA GLN 5 HA GLN 5 20.810 7.071 0.334 48 HB2 GLN 5 HB2 GLN 5 19.436 9.221 0.425 49 HB3 GLN 5 HB3 GLN 5 18.566 7.710 0.644 50 HG2 GLN 5 HG2 GLN 5 18.605 8.061 3.075 51 HG3 GLN 5 HG3 GLN 5 19.423 9.602 2.822 52 HE21 GLN 5 HE21 GLN 5 18.282 11.329 1.959 53 HE22 GLN 5 HE22 GLN 5 16.556 11.353 1.892 54 H ASP 6 HN ASP 6 23.065 7.326 0.668 55 HA ASP 6 HA ASP 6 23.955 9.982 0.665 56 HB2 ASP 6 HB2 ASP 6 23.545 9.860 3.089 57 HB3 ASP 6 HB3 ASP 6 24.619 8.468 3.193 58 H ILE 7 HN ILE 7 24.731 6.641 1.210 59 HA ILE 7 HA ILE 7 27.307 7.006 -0.168 60 HB ILE 7 HB ILE 7 26.532 4.574 1.435 61 HG12 ILE 7 HG12 ILE 7 26.366 6.526 2.915 62 HG13 ILE 7 HG13 ILE 7 27.759 5.535 3.337 63 HG21 ILE 7 HG21 ILE 7 28.399 4.254 -0.054 64 HG22 ILE 7 HG22 ILE 7 29.181 5.711 0.554 65 HG23 ILE 7 HG23 ILE 7 28.988 4.309 1.607 66 HD11 ILE 7 HD11 ILE 7 28.274 7.912 3.438 67 HD12 ILE 7 HD12 ILE 7 29.231 7.102 2.199 68 HD13 ILE 7 HD13 ILE 7 27.841 8.084 1.738 69 H LEU 8 HN LEU 8 24.246 6.240 -0.828 70 HA LEU 8 HA LEU 8 24.998 4.550 -3.081 71 HB2 LEU 8 HB2 LEU 8 22.772 3.891 -1.153 72 HB3 LEU 8 HB3 LEU 8 23.002 3.104 -2.701 73 HG LEU 8 HG LEU 8 25.005 3.039 -0.444 74 HD11 LEU 8 HD11 LEU 8 22.962 1.860 0.167 75 HD12 LEU 8 HD12 LEU 8 23.026 0.949 -1.342 76 HD13 LEU 8 HD13 LEU 8 24.282 0.727 -0.123 77 HD21 LEU 8 HD21 LEU 8 26.031 2.775 -2.630 78 HD22 LEU 8 HD22 LEU 8 26.029 1.237 -1.767 79 HD23 LEU 8 HD23 LEU 8 24.856 1.528 -3.054 80 H ASN 9 HN ASN 9 23.161 6.997 -1.664 81 HA ASN 9 HA ASN 9 21.008 7.163 -3.503 82 HB2 ASN 9 HB2 ASN 9 20.858 8.272 -1.352 83 HB3 ASN 9 HB3 ASN 9 22.265 9.264 -1.724 84 HD21 ASN 9 HD21 ASN 9 22.069 10.956 -3.187 85 HD22 ASN 9 HD22 ASN 9 20.534 11.597 -3.650 86 H LEU 10 HN LEU 10 24.321 8.047 -3.643 87 HA LEU 10 HA LEU 10 23.887 9.781 -5.964 88 HB2 LEU 10 HB2 LEU 10 26.315 9.211 -4.271 89 HB3 LEU 10 HB3 LEU 10 26.397 10.128 -5.763 90 HG LEU 10 HG LEU 10 24.707 11.719 -4.731 91 HD11 LEU 10 HD11 LEU 10 25.467 10.180 -2.254 92 HD12 LEU 10 HD12 LEU 10 24.637 11.736 -2.263 93 HD13 LEU 10 HD13 LEU 10 23.859 10.319 -2.966 94 HD21 LEU 10 HD21 LEU 10 26.425 12.887 -3.425 95 HD22 LEU 10 HD22 LEU 10 27.424 11.433 -3.453 96 HD23 LEU 10 HD23 LEU 10 27.056 12.280 -4.956 97 H ARG 11 HN ARG 11 23.826 6.681 -5.642 98 HA ARG 11 HA ARG 11 25.413 6.160 -8.062 99 HB2 ARG 11 HB2 ARG 11 25.015 4.139 -5.863 100 HB3 ARG 11 HB3 ARG 11 26.117 4.045 -7.232 101 HG2 ARG 11 HG2 ARG 11 27.339 5.999 -6.275 102 HG3 ARG 11 HG3 ARG 11 26.316 5.865 -4.846 103 HD2 ARG 11 HD2 ARG 11 27.110 3.545 -4.540 104 HD3 ARG 11 HD3 ARG 11 28.187 3.755 -5.917 105 HE ARG 11 HE ARG 11 28.525 5.717 -3.833 106 HH11 ARG 11 HH12 ARG 11 29.480 2.583 -5.026 107 HH12 ARG 11 HH11 ARG 11 30.992 2.582 -4.182 108 HH21 ARG 11 HH22 ARG 11 30.514 5.721 -2.720 109 HH22 ARG 11 HH21 ARG 11 31.579 4.364 -2.869 110 H THR 12 HN THR 12 22.445 5.918 -6.402 111 HA THR 12 HA THR 12 21.285 4.519 -8.696 112 HB THR 12 HB THR 12 19.825 3.179 -7.152 113 HG1 THR 12 HG1 THR 12 21.017 4.661 -5.310 114 HG21 THR 12 HG21 THR 12 21.514 1.466 -6.707 115 HG22 THR 12 HG22 THR 12 22.793 2.650 -6.974 116 HG23 THR 12 HG23 THR 12 21.740 2.176 -8.305 117 H ASP 13 HN ASP 13 20.192 5.744 -5.513 118 HA ASP 13 HA ASP 13 18.495 7.138 -4.932 119 HB2 ASP 13 HB2 ASP 13 19.810 8.830 -6.069 120 HB3 ASP 13 HB3 ASP 13 19.144 8.351 -7.626 121 H ILE 14 HN ILE 14 16.807 5.690 -4.859 122 HA ILE 14 HA ILE 14 15.142 5.510 -7.283 123 HB ILE 14 HB ILE 14 15.951 3.329 -6.559 124 HG12 ILE 14 HG12 ILE 14 13.744 2.196 -6.251 125 HG13 ILE 14 HG13 ILE 14 13.008 3.778 -6.015 126 HG21 ILE 14 HG21 ILE 14 14.569 3.921 -3.947 127 HG22 ILE 14 HG22 ILE 14 15.309 2.385 -4.398 128 HG23 ILE 14 HG23 ILE 14 16.311 3.822 -4.203 129 HD11 ILE 14 HD11 ILE 14 14.396 2.828 -8.509 130 HD12 ILE 14 HD12 ILE 14 12.656 2.980 -8.275 131 HD13 ILE 14 HD13 ILE 14 13.674 4.420 -8.274 132 H SER 15 HN SER 15 15.149 6.106 -3.817 133 HA SER 15 HA SER 15 13.648 7.072 -2.410 134 HB2 SER 15 HB2 SER 15 12.603 8.274 -4.985 135 HB3 SER 15 HB3 SER 15 12.181 8.825 -3.364 136 HG SER 15 HG SER 15 14.098 9.760 -4.715 137 H THR 16 HN THR 16 12.451 5.478 -1.525 138 HA THR 16 HA THR 16 10.603 3.858 -2.858 139 HB THR 16 HB THR 16 11.459 3.152 -0.728 140 HG1 THR 16 HG1 THR 16 8.680 3.754 -0.486 141 HG21 THR 16 HG21 THR 16 11.764 5.373 0.281 142 HG22 THR 16 HG22 THR 16 10.897 4.282 1.361 143 HG23 THR 16 HG23 THR 16 10.016 5.522 0.470 144 H SER 17 HN SER 17 10.136 6.862 -1.037 145 HA SER 17 HA SER 17 8.384 8.299 -0.860 146 HB2 SER 17 HB2 SER 17 7.794 7.216 -3.623 147 HB3 SER 17 HB3 SER 17 7.045 8.651 -2.927 148 HG SER 17 HG SER 17 8.737 9.716 -3.537 149 H SEP 18 HN SER 18 7.233 7.431 0.824 150 HA SEP 18 HA SER 18 5.558 5.189 0.698 151 HB2 SEP 18 HB2 SER 18 4.559 6.070 2.794 152 HB3 SEP 18 HB3 SER 18 6.322 6.091 2.828 153 H SER 19 HN SER 19 3.301 4.989 0.550 154 HA SER 19 HA SER 19 1.776 7.310 -0.341 155 HB2 SER 19 HB2 SER 19 0.882 6.065 -2.297 156 HB3 SER 19 HB3 SER 19 2.612 6.378 -2.428 157 HG SER 19 HG SER 19 1.273 3.961 -1.910 158 H SER 20 HN SER 20 2.022 4.289 1.195 159 HA SER 20 HA SER 20 0.596 3.027 2.436 160 HB2 SER 20 HB2 SER 20 0.241 5.181 3.589 161 HB3 SER 20 HB3 SER 20 -1.068 5.558 2.468 162 HG SER 20 HG SER 20 -0.988 3.351 4.251 163 H ILE 21 HN ILE 21 0.307 2.982 -0.459 164 HA ILE 21 HA ILE 21 -2.519 2.795 -1.007 165 HB ILE 21 HB ILE 21 -1.037 3.528 -2.786 166 HG12 ILE 21 HG12 ILE 21 -2.134 0.779 -3.418 167 HG13 ILE 21 HG13 ILE 21 -3.109 2.242 -3.329 168 HG21 ILE 21 HG21 ILE 21 0.212 0.788 -2.625 169 HG22 ILE 21 HG22 ILE 21 0.603 2.047 -3.796 170 HG23 ILE 21 HG23 ILE 21 0.962 2.291 -2.087 171 HD11 ILE 21 HD11 ILE 21 -0.854 1.751 -5.260 172 HD12 ILE 21 HD12 ILE 21 -2.574 1.644 -5.628 173 HD13 ILE 21 HD13 ILE 21 -1.862 3.195 -5.186 174 H SER 22 HN SER 22 -3.772 1.042 -0.931 175 HA SER 22 HA SER 22 -4.492 -1.067 -0.507 176 HB2 SER 22 HB2 SER 22 -3.345 -1.585 -2.607 177 HB3 SER 22 HB3 SER 22 -1.832 -1.830 -1.738 178 HG SER 22 HG SER 22 -3.023 -3.784 -2.217 179 H SER 23 HN SER 23 -4.673 -1.378 1.627 180 HA SER 23 HA SER 23 -2.286 -2.313 3.077 181 HB2 SER 23 HB2 SER 23 -2.911 -0.073 3.845 182 HB3 SER 23 HB3 SER 23 -4.554 -0.628 4.166 183 HG SER 23 HG SER 23 -2.563 -0.659 5.830 184 H SER 24 HN SER 24 -5.218 -3.190 1.873 185 HA SER 24 HA SER 24 -6.105 -4.854 4.062 186 HB2 SER 24 HB2 SER 24 -7.764 -3.848 2.568 187 HB3 SER 24 HB3 SER 24 -7.054 -4.691 1.191 188 HG SER 24 HG SER 24 -8.988 -5.599 2.498 189 H GLU 25 HN GLU 25 -5.352 -6.811 4.492 190 HA GLU 25 HA GLU 25 -3.593 -8.138 2.610 191 HB2 GLU 25 HB2 GLU 25 -2.961 -8.053 4.964 192 HB3 GLU 25 HB3 GLU 25 -4.442 -8.885 5.415 193 HG2 GLU 25 HG2 GLU 25 -3.702 -10.865 4.184 194 HG3 GLU 25 HG3 GLU 25 -2.211 -10.030 3.750 195 H GLU 26 HN GLU 26 -6.689 -8.791 4.216 196 HA GLU 26 HA GLU 26 -7.074 -11.347 3.046 197 HB2 GLU 26 HB2 GLU 26 -9.119 -9.413 4.154 198 HB3 GLU 26 HB3 GLU 26 -9.406 -11.111 3.803 199 HG2 GLU 26 HG2 GLU 26 -7.477 -10.030 5.846 200 HG3 GLU 26 HG3 GLU 26 -9.055 -10.742 6.179 201 H ASN 27 HN ASN 27 -7.988 -11.964 1.175 202 HA ASN 27 HA ASN 27 -8.773 -11.872 -0.952 203 HB2 ASN 27 HB2 ASN 27 -10.213 -9.430 0.099 204 HB3 ASN 27 HB3 ASN 27 -10.548 -10.200 -1.448 205 HD21 ASN 27 HD21 ASN 27 -11.547 -12.211 -1.490 206 HD22 ASN 27 HD22 ASN 27 -12.375 -12.852 -0.117 207 H ASP 28 HN ASP 28 -7.026 -11.528 -2.210 208 HA ASP 28 HA ASP 28 -6.602 -8.811 -3.177 209 HB2 ASP 28 HB2 ASP 28 -4.993 -9.213 -1.278 210 HB3 ASP 28 HB3 ASP 28 -4.274 -10.499 -2.239 211 H PHE 29 HN PHE 29 -7.626 -11.491 -4.126 212 HA PHE 29 HA PHE 29 -6.462 -11.378 -6.730 213 HB2 PHE 29 HB2 PHE 29 -4.931 -12.866 -5.175 214 HB3 PHE 29 HB3 PHE 29 -6.167 -14.078 -5.494 215 HD1 PHE 29 HD2 PHE 29 -6.677 -14.677 -7.891 216 HD2 PHE 29 HD1 PHE 29 -3.267 -12.404 -6.752 217 HE1 PHE 29 HE2 PHE 29 -5.608 -15.214 -10.039 218 HE2 PHE 29 HE1 PHE 29 -2.190 -12.935 -8.900 219 HZ PHE 29 HZ PHE 29 -3.353 -14.332 -10.545 220 H TRP 30 HN TRP 30 -8.577 -12.928 -4.434 221 HA TRP 30 HA TRP 30 -10.547 -13.308 -6.540 222 HB2 TRP 30 HB2 TRP 30 -9.636 -15.487 -4.660 223 HB3 TRP 30 HB3 TRP 30 -11.138 -15.559 -5.576 224 HD1 TRP 30 HD1 TRP 30 -7.627 -16.532 -5.782 225 HE1 TRP 30 HE1 TRP 30 -6.994 -17.240 -8.176 226 HE3 TRP 30 HE3 TRP 30 -11.710 -14.725 -8.252 227 HZ2 TRP 30 HZ2 TRP 30 -8.089 -17.048 -10.773 228 HZ3 TRP 30 HZ3 TRP 30 -11.846 -15.023 -10.690 229 HH2 TRP 30 HH2 TRP 30 -10.071 -16.162 -11.924 230 H GLN 31 HN GLN 31 -12.540 -12.897 -5.924 231 HA GLN 31 HA GLN 31 -13.053 -12.383 -3.068 232 HB2 GLN 31 HB2 GLN 31 -14.245 -10.914 -5.426 233 HB3 GLN 31 HB3 GLN 31 -14.586 -10.597 -3.731 234 HG2 GLN 31 HG2 GLN 31 -12.217 -9.994 -3.403 235 HG3 GLN 31 HG3 GLN 31 -11.951 -10.222 -5.131 236 HE21 GLN 31 HE21 GLN 31 -11.354 -8.093 -5.454 237 HE22 GLN 31 HE22 GLN 31 -12.490 -6.793 -5.403 238 HA PRO 32 HA PRO 32 -16.050 -15.616 -4.455 239 HB2 PRO 32 HB2 PRO 32 -15.628 -16.773 -1.816 240 HB3 PRO 32 HB3 PRO 32 -15.329 -17.487 -3.400 241 HG2 PRO 32 HG2 PRO 32 -13.337 -16.791 -1.692 242 HG3 PRO 32 HG3 PRO 32 -13.152 -16.785 -3.454 243 HD2 PRO 32 HD2 PRO 32 -13.634 -14.494 -1.588 244 HD3 PRO 32 HD3 PRO 32 -12.574 -14.588 -3.010 245 H LYS 33 HN LYS 33 -18.047 -14.799 -4.326 246 HA LYS 33 HA LYS 33 -19.007 -13.768 -1.748 247 HB2 LYS 33 HB2 LYS 33 -20.730 -12.613 -3.049 248 HB3 LYS 33 HB3 LYS 33 -19.123 -12.211 -3.638 249 HG2 LYS 33 HG2 LYS 33 -19.547 -14.122 -5.340 250 HG3 LYS 33 HG3 LYS 33 -21.243 -13.879 -4.915 251 HD2 LYS 33 HD2 LYS 33 -20.987 -11.476 -5.474 252 HD3 LYS 33 HD3 LYS 33 -19.337 -11.812 -6.007 253 HE2 LYS 33 HE2 LYS 33 -20.866 -11.747 -7.904 254 HE3 LYS 33 HE3 LYS 33 -20.194 -13.364 -7.689 255 HZ1 LYS 33 HZ1 LYS 33 -22.569 -13.426 -8.147 256 HZ2 LYS 33 HZ2 LYS 33 -22.881 -12.484 -6.779 257 HZ3 LYS 33 HZ3 LYS 33 -22.237 -14.038 -6.605 258 HA PRO 34 HA PRO 34 -21.806 -17.093 -1.034 259 HB2 PRO 34 HB2 PRO 34 -24.158 -15.734 -0.487 260 HB3 PRO 34 HB3 PRO 34 -22.871 -16.046 0.681 261 HG2 PRO 34 HG2 PRO 34 -23.429 -13.583 -0.916 262 HG3 PRO 34 HG3 PRO 34 -22.893 -13.733 0.769 263 HD2 PRO 34 HD2 PRO 34 -21.180 -13.075 -1.182 264 HD3 PRO 34 HD3 PRO 34 -20.685 -14.126 0.162 265 H THR 35 HN THR 35 -22.284 -18.265 -2.786 266 HA THR 35 HA THR 35 -23.464 -17.285 -5.144 267 HB THR 35 HB THR 35 -23.771 -19.644 -5.780 268 HG1 THR 35 HG1 THR 35 -22.725 -20.320 -3.224 269 HG21 THR 35 HG21 THR 35 -21.423 -20.321 -5.673 270 HG22 THR 35 HG22 THR 35 -21.126 -19.118 -4.420 271 HG23 THR 35 HG23 THR 35 -21.564 -18.603 -6.047 Start of MODEL 16 1 H1 GLU 1 H1 GLU 1 20.530 -3.727 -9.537 2 H2 GLU 1 H2 GLU 1 19.431 -3.916 -8.268 3 H3 GLU 1 H3 GLU 1 20.507 -5.164 -8.644 4 HA GLU 1 HA GLU 1 21.203 -3.980 -6.665 5 HB2 GLU 1 HB2 GLU 1 23.011 -3.451 -9.031 6 HB3 GLU 1 HB3 GLU 1 23.506 -3.565 -7.348 7 HG2 GLU 1 HG2 GLU 1 22.782 -5.915 -7.320 8 HG3 GLU 1 HG3 GLU 1 22.365 -5.787 -9.026 9 H LYS 2 HN LYS 2 21.013 -2.139 -5.577 10 HA LYS 2 HA LYS 2 21.343 0.405 -6.983 11 HB2 LYS 2 HB2 LYS 2 19.336 1.333 -5.891 12 HB3 LYS 2 HB3 LYS 2 18.950 0.019 -6.994 13 HG2 LYS 2 HG2 LYS 2 18.646 -1.504 -5.170 14 HG3 LYS 2 HG3 LYS 2 19.218 -0.300 -4.016 15 HD2 LYS 2 HD2 LYS 2 16.879 -0.252 -3.821 16 HD3 LYS 2 HD3 LYS 2 17.275 1.149 -4.818 17 HE2 LYS 2 HE2 LYS 2 16.468 -1.522 -5.954 18 HE3 LYS 2 HE3 LYS 2 15.317 -0.235 -5.596 19 HZ1 LYS 2 HZ1 LYS 2 16.645 1.207 -7.106 20 HZ2 LYS 2 HZ2 LYS 2 15.889 -0.093 -7.881 21 HZ3 LYS 2 HZ3 LYS 2 17.547 -0.154 -7.551 22 H LEU 3 HN LEU 3 21.027 2.232 -5.173 23 HA LEU 3 HA LEU 3 22.728 1.430 -2.930 24 HB2 LEU 3 HB2 LEU 3 22.546 4.068 -4.373 25 HB3 LEU 3 HB3 LEU 3 23.430 3.845 -2.877 26 HG LEU 3 HG LEU 3 25.011 3.811 -4.655 27 HD11 LEU 3 HD11 LEU 3 24.501 0.964 -3.809 28 HD12 LEU 3 HD12 LEU 3 26.018 1.616 -4.427 29 HD13 LEU 3 HD13 LEU 3 25.385 2.172 -2.878 30 HD21 LEU 3 HD21 LEU 3 23.404 3.314 -6.465 31 HD22 LEU 3 HD22 LEU 3 24.879 2.352 -6.566 32 HD23 LEU 3 HD23 LEU 3 23.392 1.626 -5.956 33 H LYS 4 HN LYS 4 22.120 1.914 -0.890 34 HA LYS 4 HA LYS 4 19.577 3.369 -0.558 35 HB2 LYS 4 HB2 LYS 4 20.711 1.225 1.248 36 HB3 LYS 4 HB3 LYS 4 19.129 1.984 1.376 37 HG2 LYS 4 HG2 LYS 4 18.251 0.784 -0.351 38 HG3 LYS 4 HG3 LYS 4 19.812 0.590 -1.154 39 HD2 LYS 4 HD2 LYS 4 20.497 -0.975 0.626 40 HD3 LYS 4 HD3 LYS 4 18.894 -0.824 1.350 41 HE2 LYS 4 HE2 LYS 4 17.888 -1.709 -0.699 42 HE3 LYS 4 HE3 LYS 4 19.489 -1.851 -1.424 43 HZ1 LYS 4 HZ1 LYS 4 20.077 -3.410 0.365 44 HZ2 LYS 4 HZ2 LYS 4 18.791 -3.972 -0.579 45 HZ3 LYS 4 HZ3 LYS 4 18.493 -3.323 0.954 46 H GLN 5 HN GLN 5 22.457 2.445 1.335 47 HA GLN 5 HA GLN 5 22.342 5.059 2.670 48 HB2 GLN 5 HB2 GLN 5 23.907 3.985 4.327 49 HB3 GLN 5 HB3 GLN 5 22.298 3.281 4.258 50 HG2 GLN 5 HG2 GLN 5 23.176 1.473 2.840 51 HG3 GLN 5 HG3 GLN 5 24.789 2.166 2.992 52 HE21 GLN 5 HE21 GLN 5 23.763 -0.453 3.808 53 HE22 GLN 5 HE22 GLN 5 24.086 -0.581 5.500 54 H ASP 6 HN ASP 6 23.826 6.561 2.229 55 HA ASP 6 HA ASP 6 26.530 5.917 1.556 56 HB2 ASP 6 HB2 ASP 6 25.171 5.587 -0.605 57 HB3 ASP 6 HB3 ASP 6 24.978 7.337 -0.606 58 H ILE 7 HN ILE 7 27.480 8.183 0.534 59 HA ILE 7 HA ILE 7 27.110 10.072 2.674 60 HB ILE 7 HB ILE 7 28.835 10.352 0.205 61 HG12 ILE 7 HG12 ILE 7 30.640 9.760 2.029 62 HG13 ILE 7 HG13 ILE 7 29.284 8.971 2.825 63 HG21 ILE 7 HG21 ILE 7 28.483 12.471 1.277 64 HG22 ILE 7 HG22 ILE 7 28.855 11.784 2.858 65 HG23 ILE 7 HG23 ILE 7 30.119 11.924 1.636 66 HD11 ILE 7 HD11 ILE 7 30.270 8.388 0.043 67 HD12 ILE 7 HD12 ILE 7 30.566 7.408 1.478 68 HD13 ILE 7 HD13 ILE 7 28.926 7.584 0.857 69 H LEU 8 HN LEU 8 25.645 9.548 -0.310 70 HA LEU 8 HA LEU 8 25.069 12.335 -0.856 71 HB2 LEU 8 HB2 LEU 8 25.494 10.925 -2.751 72 HB3 LEU 8 HB3 LEU 8 24.286 9.770 -2.224 73 HG LEU 8 HG LEU 8 22.543 11.532 -2.601 74 HD11 LEU 8 HD11 LEU 8 23.954 13.502 -2.463 75 HD12 LEU 8 HD12 LEU 8 24.850 12.985 -3.892 76 HD13 LEU 8 HD13 LEU 8 23.149 13.432 -4.031 77 HD21 LEU 8 HD21 LEU 8 22.475 11.197 -4.981 78 HD22 LEU 8 HD22 LEU 8 24.199 10.823 -5.014 79 HD23 LEU 8 HD23 LEU 8 23.078 9.729 -4.206 80 H ASN 9 HN ASN 9 23.647 9.597 0.632 81 HA ASN 9 HA ASN 9 21.074 10.982 0.910 82 HB2 ASN 9 HB2 ASN 9 21.745 8.080 1.458 83 HB3 ASN 9 HB3 ASN 9 20.142 8.807 1.546 84 HD21 ASN 9 HD21 ASN 9 22.682 7.706 -0.539 85 HD22 ASN 9 HD22 ASN 9 21.766 7.725 -2.004 86 H LEU 10 HN LEU 10 23.915 10.074 2.532 87 HA LEU 10 HA LEU 10 24.644 10.237 4.675 88 HB2 LEU 10 HB2 LEU 10 23.919 12.571 4.322 89 HB3 LEU 10 HB3 LEU 10 22.335 12.161 4.951 90 HG LEU 10 HG LEU 10 23.460 11.531 7.117 91 HD11 LEU 10 HD11 LEU 10 25.714 11.211 6.244 92 HD12 LEU 10 HD12 LEU 10 25.807 12.925 5.838 93 HD13 LEU 10 HD13 LEU 10 25.694 12.424 7.524 94 HD21 LEU 10 HD21 LEU 10 23.740 14.385 6.181 95 HD22 LEU 10 HD22 LEU 10 22.276 13.644 6.831 96 HD23 LEU 10 HD23 LEU 10 23.694 13.847 7.860 97 H ARG 11 HN ARG 11 24.241 8.172 5.391 98 HA ARG 11 HA ARG 11 23.252 6.457 6.504 99 HB2 ARG 11 HB2 ARG 11 22.150 8.641 8.266 100 HB3 ARG 11 HB3 ARG 11 22.574 6.996 8.717 101 HG2 ARG 11 HG2 ARG 11 24.919 7.461 8.356 102 HG3 ARG 11 HG3 ARG 11 24.531 9.097 7.820 103 HD2 ARG 11 HD2 ARG 11 23.565 9.559 10.044 104 HD3 ARG 11 HD3 ARG 11 24.048 7.946 10.568 105 HE ARG 11 HE ARG 11 26.308 9.254 9.574 106 HH11 ARG 11 HH12 ARG 11 24.083 9.490 12.245 107 HH12 ARG 11 HH11 ARG 11 25.241 10.209 13.313 108 HH21 ARG 11 HH22 ARG 11 27.839 10.197 10.972 109 HH22 ARG 11 HH21 ARG 11 27.377 10.609 12.591 110 H THR 12 HN THR 12 21.709 7.355 4.310 111 HA THR 12 HA THR 12 19.675 6.998 3.361 112 HB THR 12 HB THR 12 18.948 5.693 5.993 113 HG1 THR 12 HG1 THR 12 19.656 4.322 3.626 114 HG21 THR 12 HG21 THR 12 17.692 5.428 3.258 115 HG22 THR 12 HG22 THR 12 16.993 6.288 4.629 116 HG23 THR 12 HG23 THR 12 17.221 4.541 4.707 117 H ASP 13 HN ASP 13 18.294 8.579 2.956 118 HA ASP 13 HA ASP 13 17.603 10.493 4.997 119 HB2 ASP 13 HB2 ASP 13 16.370 11.615 3.103 120 HB3 ASP 13 HB3 ASP 13 18.096 11.395 2.840 121 H ILE 14 HN ILE 14 16.057 10.020 6.390 122 HA ILE 14 HA ILE 14 14.077 8.090 6.122 123 HB ILE 14 HB ILE 14 13.921 10.579 7.825 124 HG12 ILE 14 HG12 ILE 14 15.039 7.848 8.507 125 HG13 ILE 14 HG13 ILE 14 16.011 9.275 8.165 126 HG21 ILE 14 HG21 ILE 14 12.558 7.903 8.102 127 HG22 ILE 14 HG22 ILE 14 12.444 9.241 9.244 128 HG23 ILE 14 HG23 ILE 14 11.790 9.413 7.616 129 HD11 ILE 14 HD11 ILE 14 14.111 8.911 10.467 130 HD12 ILE 14 HD12 ILE 14 15.873 8.923 10.539 131 HD13 ILE 14 HD13 ILE 14 14.998 10.393 10.108 132 H SER 15 HN SER 15 12.510 8.020 4.667 133 HA SER 15 HA SER 15 11.415 10.460 3.534 134 HB2 SER 15 HB2 SER 15 10.200 8.931 2.016 135 HB3 SER 15 HB3 SER 15 11.932 8.607 2.023 136 HG SER 15 HG SER 15 11.587 6.719 2.921 137 H THR 16 HN THR 16 9.129 10.879 3.448 138 HA THR 16 HA THR 16 7.719 9.854 5.822 139 HB THR 16 HB THR 16 8.117 12.247 5.957 140 HG1 THR 16 HG1 THR 16 6.207 11.964 6.884 141 HG21 THR 16 HG21 THR 16 7.140 13.797 4.331 142 HG22 THR 16 HG22 THR 16 6.588 12.433 3.358 143 HG23 THR 16 HG23 THR 16 8.314 12.729 3.564 144 H SER 17 HN SER 17 7.634 10.139 2.395 145 HA SER 17 HA SER 17 6.199 9.385 0.801 146 HB2 SER 17 HB2 SER 17 6.344 7.277 2.086 147 HB3 SER 17 HB3 SER 17 4.981 7.798 3.076 148 HG SER 17 HG SER 17 4.590 7.847 0.333 149 H SEP 18 HN SER 18 3.729 9.124 0.310 150 HA SEP 18 HA SER 18 2.135 11.054 1.823 151 HB2 SEP 18 HB2 SER 18 1.467 12.243 -0.213 152 HB3 SEP 18 HB3 SER 18 3.214 12.333 0.007 153 H SER 19 HN SER 19 -0.030 10.620 1.848 154 HA SER 19 HA SER 19 -0.881 8.016 1.158 155 HB2 SER 19 HB2 SER 19 -1.888 9.201 3.021 156 HB3 SER 19 HB3 SER 19 -2.489 10.456 1.939 157 HG SER 19 HG SER 19 -3.202 7.809 1.409 158 H SER 20 HN SER 20 -1.903 7.221 -0.589 159 HA SER 20 HA SER 20 -3.100 9.012 -2.541 160 HB2 SER 20 HB2 SER 20 -1.806 8.062 -4.418 161 HB3 SER 20 HB3 SER 20 -0.766 8.907 -3.272 162 HG SER 20 HG SER 20 -1.155 6.105 -3.490 163 H ILE 21 HN ILE 21 -3.204 6.277 -0.767 164 HA ILE 21 HA ILE 21 -4.553 4.448 -0.719 165 HB ILE 21 HB ILE 21 -6.005 5.752 -3.026 166 HG12 ILE 21 HG12 ILE 21 -5.880 7.255 -1.095 167 HG13 ILE 21 HG13 ILE 21 -7.520 6.661 -1.314 168 HG21 ILE 21 HG21 ILE 21 -7.920 4.412 -2.256 169 HG22 ILE 21 HG22 ILE 21 -6.568 3.411 -2.785 170 HG23 ILE 21 HG23 ILE 21 -6.879 3.636 -1.063 171 HD11 ILE 21 HD11 ILE 21 -7.201 5.070 0.494 172 HD12 ILE 21 HD12 ILE 21 -5.540 5.622 0.699 173 HD13 ILE 21 HD13 ILE 21 -6.879 6.718 1.033 174 H SER 22 HN SER 22 -3.446 2.684 -1.283 175 HA SER 22 HA SER 22 -2.283 2.239 -3.818 176 HB2 SER 22 HB2 SER 22 -1.422 1.152 -1.806 177 HB3 SER 22 HB3 SER 22 -2.935 0.266 -1.615 178 HG SER 22 HG SER 22 -0.872 -0.570 -2.892 179 H SER 23 HN SER 23 -2.814 0.572 -5.365 180 HA SER 23 HA SER 23 -5.676 0.447 -5.843 181 HB2 SER 23 HB2 SER 23 -5.030 -0.462 -8.053 182 HB3 SER 23 HB3 SER 23 -4.229 1.069 -7.705 183 HG SER 23 HG SER 23 -2.370 -0.114 -7.128 184 H SER 24 HN SER 24 -2.989 -1.903 -5.816 185 HA SER 24 HA SER 24 -4.858 -4.102 -5.576 186 HB2 SER 24 HB2 SER 24 -2.847 -5.529 -5.664 187 HB3 SER 24 HB3 SER 24 -2.873 -4.367 -6.992 188 HG SER 24 HG SER 24 -1.054 -4.672 -5.015 189 H GLU 25 HN GLU 25 -5.436 -5.091 -3.744 190 HA GLU 25 HA GLU 25 -3.770 -5.196 -1.429 191 HB2 GLU 25 HB2 GLU 25 -5.212 -3.921 0.085 192 HB3 GLU 25 HB3 GLU 25 -4.569 -2.895 -1.190 193 HG2 GLU 25 HG2 GLU 25 -6.708 -3.109 -2.397 194 HG3 GLU 25 HG3 GLU 25 -7.343 -4.050 -1.049 195 H GLU 26 HN GLU 26 -6.851 -5.698 -2.981 196 HA GLU 26 HA GLU 26 -7.909 -7.450 -0.982 197 HB2 GLU 26 HB2 GLU 26 -9.361 -6.187 -2.517 198 HB3 GLU 26 HB3 GLU 26 -8.714 -7.093 -3.874 199 HG2 GLU 26 HG2 GLU 26 -10.880 -7.949 -3.233 200 HG3 GLU 26 HG3 GLU 26 -9.627 -9.155 -2.943 201 H ASN 27 HN ASN 27 -7.244 -9.449 -0.601 202 HA ASN 27 HA ASN 27 -5.866 -10.921 -2.734 203 HB2 ASN 27 HB2 ASN 27 -5.919 -11.464 0.244 204 HB3 ASN 27 HB3 ASN 27 -4.956 -12.332 -0.950 205 HD21 ASN 27 HD21 ASN 27 -3.197 -11.297 -1.916 206 HD22 ASN 27 HD22 ASN 27 -2.468 -9.900 -1.211 207 H ASP 28 HN ASP 28 -8.888 -10.600 -1.698 208 HA ASP 28 HA ASP 28 -9.534 -13.429 -2.193 209 HB2 ASP 28 HB2 ASP 28 -10.937 -11.576 -0.254 210 HB3 ASP 28 HB3 ASP 28 -11.434 -13.222 -0.634 211 H PHE 29 HN PHE 29 -10.322 -13.418 -4.207 212 HA PHE 29 HA PHE 29 -12.783 -12.089 -4.759 213 HB2 PHE 29 HB2 PHE 29 -11.202 -10.226 -5.149 214 HB3 PHE 29 HB3 PHE 29 -10.361 -11.211 -6.341 215 HD1 PHE 29 HD2 PHE 29 -13.491 -9.425 -5.598 216 HD2 PHE 29 HD1 PHE 29 -11.212 -11.483 -8.543 217 HE1 PHE 29 HE2 PHE 29 -15.016 -8.604 -7.345 218 HE2 PHE 29 HE1 PHE 29 -12.731 -10.666 -10.296 219 HZ PHE 29 HZ PHE 29 -14.636 -9.225 -9.698 220 H TRP 30 HN TRP 30 -10.042 -13.927 -5.882 221 HA TRP 30 HA TRP 30 -11.124 -14.879 -8.292 222 HB2 TRP 30 HB2 TRP 30 -8.998 -15.935 -6.441 223 HB3 TRP 30 HB3 TRP 30 -9.460 -16.803 -7.903 224 HD1 TRP 30 HD1 TRP 30 -7.083 -14.260 -6.749 225 HE1 TRP 30 HE1 TRP 30 -6.019 -13.031 -8.748 226 HE3 TRP 30 HE3 TRP 30 -10.282 -15.789 -10.422 227 HZ2 TRP 30 HZ2 TRP 30 -6.484 -12.751 -11.524 228 HZ3 TRP 30 HZ3 TRP 30 -9.908 -14.999 -12.724 229 HH2 TRP 30 HH2 TRP 30 -8.049 -13.509 -13.261 230 H GLN 31 HN GLN 31 -10.378 -17.299 -5.883 231 HA GLN 31 HA GLN 31 -13.172 -18.046 -5.604 232 HB2 GLN 31 HB2 GLN 31 -12.670 -20.407 -6.287 233 HB3 GLN 31 HB3 GLN 31 -12.629 -19.239 -7.604 234 HG2 GLN 31 HG2 GLN 31 -10.208 -19.195 -7.520 235 HG3 GLN 31 HG3 GLN 31 -10.218 -20.307 -6.154 236 HE21 GLN 31 HE21 GLN 31 -8.994 -20.593 -8.787 237 HE22 GLN 31 HE22 GLN 31 -9.661 -22.033 -9.472 238 HA PRO 32 HA PRO 32 -10.336 -19.093 -1.992 239 HB2 PRO 32 HB2 PRO 32 -10.816 -17.051 -0.325 240 HB3 PRO 32 HB3 PRO 32 -9.608 -16.934 -1.610 241 HG2 PRO 32 HG2 PRO 32 -12.378 -15.829 -1.502 242 HG3 PRO 32 HG3 PRO 32 -10.906 -15.110 -2.179 243 HD2 PRO 32 HD2 PRO 32 -12.879 -16.383 -3.654 244 HD3 PRO 32 HD3 PRO 32 -11.211 -16.122 -4.193 245 H LYS 33 HN LYS 33 -13.552 -18.760 -2.672 246 HA LYS 33 HA LYS 33 -14.468 -19.476 0.015 247 HB2 LYS 33 HB2 LYS 33 -16.115 -18.913 -2.459 248 HB3 LYS 33 HB3 LYS 33 -16.710 -19.068 -0.813 249 HG2 LYS 33 HG2 LYS 33 -14.866 -16.904 -1.807 250 HG3 LYS 33 HG3 LYS 33 -16.601 -16.736 -1.537 251 HD2 LYS 33 HD2 LYS 33 -14.599 -17.477 0.596 252 HD3 LYS 33 HD3 LYS 33 -15.206 -15.843 0.318 253 HE2 LYS 33 HE2 LYS 33 -16.882 -18.249 1.037 254 HE3 LYS 33 HE3 LYS 33 -16.395 -16.970 2.148 255 HZ1 LYS 33 HZ1 LYS 33 -17.625 -15.384 0.789 256 HZ2 LYS 33 HZ2 LYS 33 -18.638 -16.616 1.352 257 HZ3 LYS 33 HZ3 LYS 33 -18.108 -16.626 -0.254 258 HA PRO 34 HA PRO 34 -14.940 -23.811 -0.645 259 HB2 PRO 34 HB2 PRO 34 -17.830 -23.458 0.012 260 HB3 PRO 34 HB3 PRO 34 -16.651 -24.585 0.694 261 HG2 PRO 34 HG2 PRO 34 -17.395 -22.436 2.064 262 HG3 PRO 34 HG3 PRO 34 -15.702 -22.966 2.068 263 HD2 PRO 34 HD2 PRO 34 -16.975 -20.692 0.611 264 HD3 PRO 34 HD3 PRO 34 -15.362 -20.801 1.348 265 H THR 35 HN THR 35 -14.870 -24.535 -2.678 266 HA THR 35 HA THR 35 -16.441 -23.581 -4.800 267 HB THR 35 HB THR 35 -14.416 -24.563 -5.445 268 HG1 THR 35 HG1 THR 35 -15.688 -25.265 -7.025 269 HG21 THR 35 HG21 THR 35 -13.741 -26.849 -4.884 270 HG22 THR 35 HG22 THR 35 -15.224 -27.064 -3.956 271 HG23 THR 35 HG23 THR 35 -14.017 -25.892 -3.428 Start of MODEL 17 1 H1 GLU 1 H1 GLU 1 24.896 -6.745 4.148 2 H2 GLU 1 H2 GLU 1 24.414 -5.148 3.875 3 H3 GLU 1 H3 GLU 1 23.537 -6.422 3.195 4 HA GLU 1 HA GLU 1 22.826 -7.176 5.335 5 HB2 GLU 1 HB2 GLU 1 24.897 -6.487 6.521 6 HB3 GLU 1 HB3 GLU 1 24.379 -4.811 6.411 7 HG2 GLU 1 HG2 GLU 1 22.426 -5.308 7.776 8 HG3 GLU 1 HG3 GLU 1 22.913 -7.002 7.864 9 H LYS 2 HN LYS 2 23.281 -3.744 4.535 10 HA LYS 2 HA LYS 2 20.376 -3.440 4.395 11 HB2 LYS 2 HB2 LYS 2 22.191 -1.624 5.993 12 HB3 LYS 2 HB3 LYS 2 20.500 -1.297 5.641 13 HG2 LYS 2 HG2 LYS 2 19.847 -3.285 6.896 14 HG3 LYS 2 HG3 LYS 2 21.545 -3.629 7.237 15 HD2 LYS 2 HD2 LYS 2 21.731 -1.486 8.418 16 HD3 LYS 2 HD3 LYS 2 20.025 -1.167 8.096 17 HE2 LYS 2 HE2 LYS 2 19.415 -3.160 9.381 18 HE3 LYS 2 HE3 LYS 2 21.120 -3.479 9.697 19 HZ1 LYS 2 HZ1 LYS 2 21.251 -1.359 10.869 20 HZ2 LYS 2 HZ2 LYS 2 20.095 -2.376 11.569 21 HZ3 LYS 2 HZ3 LYS 2 19.604 -1.086 10.592 22 H LEU 3 HN LEU 3 20.487 -3.223 2.177 23 HA LEU 3 HA LEU 3 22.116 -1.050 1.123 24 HB2 LEU 3 HB2 LEU 3 20.864 -3.461 -0.134 25 HB3 LEU 3 HB3 LEU 3 21.345 -2.097 -1.120 26 HG LEU 3 HG LEU 3 23.070 -3.786 -1.168 27 HD11 LEU 3 HD11 LEU 3 23.918 -1.434 0.518 28 HD12 LEU 3 HD12 LEU 3 24.985 -2.470 -0.431 29 HD13 LEU 3 HD13 LEU 3 23.791 -1.457 -1.241 30 HD21 LEU 3 HD21 LEU 3 24.263 -4.478 0.839 31 HD22 LEU 3 HD22 LEU 3 23.190 -3.490 1.830 32 HD23 LEU 3 HD23 LEU 3 22.550 -4.882 0.955 33 H LYS 4 HN LYS 4 19.660 -0.646 2.593 34 HA LYS 4 HA LYS 4 17.698 0.200 0.635 35 HB2 LYS 4 HB2 LYS 4 17.735 0.548 3.640 36 HB3 LYS 4 HB3 LYS 4 16.370 0.890 2.586 37 HG2 LYS 4 HG2 LYS 4 17.623 -1.817 3.007 38 HG3 LYS 4 HG3 LYS 4 16.121 -1.247 3.738 39 HD2 LYS 4 HD2 LYS 4 15.114 -1.023 1.531 40 HD3 LYS 4 HD3 LYS 4 16.625 -1.530 0.777 41 HE2 LYS 4 HE2 LYS 4 14.962 -3.349 0.911 42 HE3 LYS 4 HE3 LYS 4 16.448 -3.713 1.786 43 HZ1 LYS 4 HZ1 LYS 4 14.451 -4.326 3.034 44 HZ2 LYS 4 HZ2 LYS 4 13.944 -2.713 3.032 45 HZ3 LYS 4 HZ3 LYS 4 15.359 -3.150 3.847 46 H GLN 5 HN GLN 5 17.345 2.233 -0.057 47 HA GLN 5 HA GLN 5 17.723 4.429 -0.510 48 HB2 GLN 5 HB2 GLN 5 18.469 4.509 2.417 49 HB3 GLN 5 HB3 GLN 5 18.175 5.923 1.414 50 HG2 GLN 5 HG2 GLN 5 15.866 5.089 1.024 51 HG3 GLN 5 HG3 GLN 5 16.186 3.800 2.181 52 HE21 GLN 5 HE21 GLN 5 17.805 5.511 3.907 53 HE22 GLN 5 HE22 GLN 5 16.694 6.548 4.730 54 H ASP 6 HN ASP 6 19.480 6.244 -0.267 55 HA ASP 6 HA ASP 6 22.159 5.453 0.213 56 HB2 ASP 6 HB2 ASP 6 21.434 4.297 -2.032 57 HB3 ASP 6 HB3 ASP 6 21.666 5.906 -2.711 58 H ILE 7 HN ILE 7 23.424 7.173 -1.653 59 HA ILE 7 HA ILE 7 22.331 9.783 -0.860 60 HB ILE 7 HB ILE 7 24.400 9.206 0.332 61 HG12 ILE 7 HG12 ILE 7 24.859 11.376 -1.714 62 HG13 ILE 7 HG13 ILE 7 23.831 11.558 -0.297 63 HG21 ILE 7 HG21 ILE 7 25.408 7.746 -1.322 64 HG22 ILE 7 HG22 ILE 7 25.638 9.112 -2.413 65 HG23 ILE 7 HG23 ILE 7 26.520 9.043 -0.887 66 HD11 ILE 7 HD11 ILE 7 26.784 10.975 -0.244 67 HD12 ILE 7 HD12 ILE 7 26.039 12.550 0.030 68 HD13 ILE 7 HD13 ILE 7 25.742 11.227 1.157 69 H LEU 8 HN LEU 8 23.454 7.772 -3.391 70 HA LEU 8 HA LEU 8 23.262 10.021 -5.277 71 HB2 LEU 8 HB2 LEU 8 25.573 8.929 -4.883 72 HB3 LEU 8 HB3 LEU 8 24.930 7.589 -5.813 73 HG LEU 8 HG LEU 8 24.529 9.122 -7.711 74 HD11 LEU 8 HD11 LEU 8 25.945 11.134 -5.970 75 HD12 LEU 8 HD12 LEU 8 25.513 11.359 -7.666 76 HD13 LEU 8 HD13 LEU 8 24.248 11.182 -6.448 77 HD21 LEU 8 HD21 LEU 8 27.354 9.097 -6.652 78 HD22 LEU 8 HD22 LEU 8 26.589 7.835 -7.618 79 HD23 LEU 8 HD23 LEU 8 26.887 9.423 -8.323 80 H ASN 9 HN ASN 9 21.971 7.092 -4.311 81 HA ASN 9 HA ASN 9 20.431 6.921 -6.794 82 HB2 ASN 9 HB2 ASN 9 20.566 4.455 -6.765 83 HB3 ASN 9 HB3 ASN 9 22.146 5.201 -6.997 84 HD21 ASN 9 HD21 ASN 9 20.068 3.527 -4.746 85 HD22 ASN 9 HD22 ASN 9 21.317 3.032 -3.660 86 H LEU 10 HN LEU 10 20.128 7.744 -3.850 87 HA LEU 10 HA LEU 10 18.441 6.071 -2.461 88 HB2 LEU 10 HB2 LEU 10 17.498 8.147 -1.438 89 HB3 LEU 10 HB3 LEU 10 19.246 8.035 -1.400 90 HG LEU 10 HG LEU 10 18.326 9.452 -3.759 91 HD11 LEU 10 HD11 LEU 10 16.453 10.089 -2.357 92 HD12 LEU 10 HD12 LEU 10 17.556 10.568 -1.066 93 HD13 LEU 10 HD13 LEU 10 17.540 11.461 -2.586 94 HD21 LEU 10 HD21 LEU 10 19.949 11.091 -2.985 95 HD22 LEU 10 HD22 LEU 10 20.067 10.261 -1.433 96 HD23 LEU 10 HD23 LEU 10 20.622 9.462 -2.905 97 H ARG 11 HN ARG 11 16.988 4.979 -3.711 98 HA ARG 11 HA ARG 11 15.239 6.187 -5.575 99 HB2 ARG 11 HB2 ARG 11 14.971 3.558 -4.109 100 HB3 ARG 11 HB3 ARG 11 14.009 4.042 -5.498 101 HG2 ARG 11 HG2 ARG 11 16.065 4.155 -6.849 102 HG3 ARG 11 HG3 ARG 11 16.984 3.594 -5.452 103 HD2 ARG 11 HD2 ARG 11 15.675 1.528 -5.420 104 HD3 ARG 11 HD3 ARG 11 14.750 2.091 -6.811 105 HE ARG 11 HE ARG 11 17.438 2.150 -7.521 106 HH11 ARG 11 HH12 ARG 11 15.029 -0.207 -6.637 107 HH12 ARG 11 HH11 ARG 11 15.740 -1.474 -7.578 108 HH21 ARG 11 HH22 ARG 11 18.381 0.487 -8.762 109 HH22 ARG 11 HH21 ARG 11 17.644 -1.082 -8.786 110 H THR 12 HN THR 12 15.262 6.217 -2.205 111 HA THR 12 HA THR 12 13.826 6.989 -0.621 112 HB THR 12 HB THR 12 12.243 8.104 -2.946 113 HG1 THR 12 HG1 THR 12 13.505 10.052 -2.272 114 HG21 THR 12 HG21 THR 12 12.356 8.925 -0.040 115 HG22 THR 12 HG22 THR 12 11.012 8.096 -0.828 116 HG23 THR 12 HG23 THR 12 11.439 9.738 -1.309 117 H ASP 13 HN ASP 13 12.870 5.311 0.364 118 HA ASP 13 HA ASP 13 10.300 4.394 -0.708 119 HB2 ASP 13 HB2 ASP 13 10.895 2.052 -0.065 120 HB3 ASP 13 HB3 ASP 13 11.856 2.689 -1.397 121 H ILE 14 HN ILE 14 8.733 4.307 0.771 122 HA ILE 14 HA ILE 14 9.334 3.844 3.570 123 HB ILE 14 HB ILE 14 9.611 6.280 3.357 124 HG12 ILE 14 HG12 ILE 14 7.909 6.939 5.090 125 HG13 ILE 14 HG13 ILE 14 7.160 5.360 4.869 126 HG21 ILE 14 HG21 ILE 14 7.686 7.699 2.819 127 HG22 ILE 14 HG22 ILE 14 8.154 6.677 1.457 128 HG23 ILE 14 HG23 ILE 14 6.743 6.260 2.431 129 HD11 ILE 14 HD11 ILE 14 9.964 5.868 5.829 130 HD12 ILE 14 HD12 ILE 14 8.591 5.375 6.818 131 HD13 ILE 14 HD13 ILE 14 9.231 4.282 5.590 132 H SER 15 HN SER 15 7.645 2.922 4.660 133 HA SER 15 HA SER 15 5.302 2.245 3.053 134 HB2 SER 15 HB2 SER 15 6.261 1.134 5.703 135 HB3 SER 15 HB3 SER 15 4.868 0.544 4.796 136 HG SER 15 HG SER 15 6.416 -0.746 4.070 137 H THR 16 HN THR 16 5.734 4.897 4.401 138 HA THR 16 HA THR 16 3.441 4.882 6.244 139 HB THR 16 HB THR 16 5.538 7.029 5.851 140 HG1 THR 16 HG1 THR 16 6.556 6.132 7.513 141 HG21 THR 16 HG21 THR 16 4.562 8.005 7.900 142 HG22 THR 16 HG22 THR 16 3.290 6.785 7.854 143 HG23 THR 16 HG23 THR 16 3.415 7.976 6.561 144 H SER 17 HN SER 17 1.610 5.206 5.153 145 HA SER 17 HA SER 17 1.321 7.654 3.621 146 HB2 SER 17 HB2 SER 17 0.685 4.950 2.412 147 HB3 SER 17 HB3 SER 17 0.301 6.510 1.686 148 HG SER 17 HG SER 17 2.344 6.784 1.156 149 H SEP 18 HN SER 18 -1.119 7.623 2.731 150 HA SEP 18 HA SER 18 -2.974 6.304 4.501 151 HB2 SEP 18 HB2 SER 18 -2.234 8.233 5.874 152 HB3 SEP 18 HB3 SER 18 -2.754 9.325 4.591 153 H SER 19 HN SER 19 -2.832 9.221 2.450 154 HA SER 19 HA SER 19 -5.399 8.765 1.309 155 HB2 SER 19 HB2 SER 19 -4.810 10.618 -0.209 156 HB3 SER 19 HB3 SER 19 -4.435 11.016 1.469 157 HG SER 19 HG SER 19 -2.278 9.904 0.544 158 H SER 20 HN SER 20 -2.119 8.558 -0.077 159 HA SER 20 HA SER 20 -3.199 6.747 -2.132 160 HB2 SER 20 HB2 SER 20 -0.746 8.517 -2.244 161 HB3 SER 20 HB3 SER 20 -1.272 7.426 -3.527 162 HG SER 20 HG SER 20 -2.998 9.407 -2.505 163 H ILE 21 HN ILE 21 -2.508 4.708 -2.171 164 HA ILE 21 HA ILE 21 -0.052 4.032 -0.692 165 HB ILE 21 HB ILE 21 -1.990 3.334 0.623 166 HG12 ILE 21 HG12 ILE 21 -1.459 0.888 0.771 167 HG13 ILE 21 HG13 ILE 21 -0.485 1.060 -0.687 168 HG21 ILE 21 HG21 ILE 21 -3.617 3.117 -1.164 169 HG22 ILE 21 HG22 ILE 21 -2.757 1.715 -1.800 170 HG23 ILE 21 HG23 ILE 21 -3.537 1.629 -0.220 171 HD11 ILE 21 HD11 ILE 21 0.903 1.086 1.298 172 HD12 ILE 21 HD12 ILE 21 0.964 2.647 0.480 173 HD13 ILE 21 HD13 ILE 21 -0.008 2.454 1.937 174 H SER 22 HN SER 22 1.248 2.426 -1.561 175 HA SER 22 HA SER 22 1.173 2.113 -4.370 176 HB2 SER 22 HB2 SER 22 3.285 2.063 -3.149 177 HB3 SER 22 HB3 SER 22 2.777 0.611 -2.288 178 HG SER 22 HG SER 22 4.170 0.260 -4.153 179 H SER 23 HN SER 23 0.695 0.343 -5.650 180 HA SER 23 HA SER 23 -0.566 -1.967 -4.359 181 HB2 SER 23 HB2 SER 23 -2.436 -1.901 -5.961 182 HB3 SER 23 HB3 SER 23 -2.397 -0.449 -4.962 183 HG SER 23 HG SER 23 -0.991 0.268 -6.933 184 H SER 24 HN SER 24 0.178 -3.814 -5.161 185 HA SER 24 HA SER 24 1.603 -3.747 -7.731 186 HB2 SER 24 HB2 SER 24 2.702 -5.827 -6.949 187 HB3 SER 24 HB3 SER 24 2.959 -4.483 -5.837 188 HG SER 24 HG SER 24 2.366 -6.445 -4.775 189 H GLU 25 HN GLU 25 -0.827 -5.529 -5.895 190 HA GLU 25 HA GLU 25 -1.815 -6.649 -8.423 191 HB2 GLU 25 HB2 GLU 25 -1.495 -8.190 -5.840 192 HB3 GLU 25 HB3 GLU 25 -2.285 -8.793 -7.289 193 HG2 GLU 25 HG2 GLU 25 -0.160 -8.570 -8.509 194 HG3 GLU 25 HG3 GLU 25 0.616 -8.040 -7.019 195 H GLU 26 HN GLU 26 -4.030 -7.852 -7.817 196 HA GLU 26 HA GLU 26 -5.731 -5.747 -6.811 197 HB2 GLU 26 HB2 GLU 26 -6.433 -8.501 -7.844 198 HB3 GLU 26 HB3 GLU 26 -7.577 -7.203 -7.520 199 HG2 GLU 26 HG2 GLU 26 -6.595 -5.856 -9.266 200 HG3 GLU 26 HG3 GLU 26 -5.358 -7.079 -9.551 201 H ASN 27 HN ASN 27 -6.229 -5.534 -4.740 202 HA ASN 27 HA ASN 27 -6.758 -7.926 -3.142 203 HB2 ASN 27 HB2 ASN 27 -5.431 -7.071 -1.262 204 HB3 ASN 27 HB3 ASN 27 -4.422 -7.339 -2.679 205 HD21 ASN 27 HD21 ASN 27 -5.854 -4.978 -0.580 206 HD22 ASN 27 HD22 ASN 27 -4.922 -3.631 -1.127 207 H ASP 28 HN ASP 28 -8.184 -5.510 -4.383 208 HA ASP 28 HA ASP 28 -9.430 -4.463 -1.932 209 HB2 ASP 28 HB2 ASP 28 -9.526 -3.362 -4.751 210 HB3 ASP 28 HB3 ASP 28 -10.273 -2.627 -3.336 211 H PHE 29 HN PHE 29 -9.975 -7.085 -3.244 212 HA PHE 29 HA PHE 29 -12.812 -6.995 -3.066 213 HB2 PHE 29 HB2 PHE 29 -12.352 -6.124 -5.409 214 HB3 PHE 29 HB3 PHE 29 -11.761 -7.737 -5.791 215 HD1 PHE 29 HD2 PHE 29 -14.745 -5.987 -4.424 216 HD2 PHE 29 HD1 PHE 29 -13.233 -9.339 -6.562 217 HE1 PHE 29 HE2 PHE 29 -17.047 -6.708 -4.912 218 HE2 PHE 29 HE1 PHE 29 -15.530 -10.068 -7.056 219 HZ PHE 29 HZ PHE 29 -17.442 -8.752 -6.229 220 H TRP 30 HN TRP 30 -9.893 -8.725 -3.825 221 HA TRP 30 HA TRP 30 -11.162 -11.194 -2.883 222 HB2 TRP 30 HB2 TRP 30 -9.071 -10.910 -5.047 223 HB3 TRP 30 HB3 TRP 30 -9.557 -12.443 -4.333 224 HD1 TRP 30 HD1 TRP 30 -10.396 -10.113 -7.058 225 HE1 TRP 30 HE1 TRP 30 -12.561 -10.849 -8.249 226 HE3 TRP 30 HE3 TRP 30 -12.024 -13.581 -3.686 227 HZ2 TRP 30 HZ2 TRP 30 -14.679 -12.666 -7.806 228 HZ3 TRP 30 HZ3 TRP 30 -14.127 -14.774 -4.140 229 HH2 TRP 30 HH2 TRP 30 -15.426 -14.326 -6.158 230 H GLN 31 HN GLN 31 -10.213 -12.149 -1.288 231 HA GLN 31 HA GLN 31 -7.510 -11.304 -0.485 232 HB2 GLN 31 HB2 GLN 31 -9.790 -12.079 1.340 233 HB3 GLN 31 HB3 GLN 31 -8.176 -11.601 1.850 234 HG2 GLN 31 HG2 GLN 31 -8.522 -9.382 0.920 235 HG3 GLN 31 HG3 GLN 31 -10.128 -9.858 0.367 236 HE21 GLN 31 HE21 GLN 31 -11.773 -10.166 1.882 237 HE22 GLN 31 HE22 GLN 31 -11.663 -9.542 3.490 238 HA PRO 32 HA PRO 32 -7.442 -15.889 -0.877 239 HB2 PRO 32 HB2 PRO 32 -5.695 -16.117 -2.907 240 HB3 PRO 32 HB3 PRO 32 -7.410 -15.798 -3.180 241 HG2 PRO 32 HG2 PRO 32 -5.093 -13.976 -3.423 242 HG3 PRO 32 HG3 PRO 32 -6.657 -13.926 -4.253 243 HD2 PRO 32 HD2 PRO 32 -5.836 -12.396 -1.993 244 HD3 PRO 32 HD3 PRO 32 -7.439 -12.432 -2.750 245 H LYS 33 HN LYS 33 -5.043 -13.436 -0.497 246 HA LYS 33 HA LYS 33 -3.022 -15.349 0.397 247 HB2 LYS 33 HB2 LYS 33 -2.835 -12.346 0.090 248 HB3 LYS 33 HB3 LYS 33 -1.501 -13.438 0.431 249 HG2 LYS 33 HG2 LYS 33 -3.154 -13.409 -2.085 250 HG3 LYS 33 HG3 LYS 33 -1.525 -12.754 -1.905 251 HD2 LYS 33 HD2 LYS 33 -0.680 -14.984 -1.376 252 HD3 LYS 33 HD3 LYS 33 -2.311 -15.642 -1.527 253 HE2 LYS 33 HE2 LYS 33 -0.786 -14.268 -3.735 254 HE3 LYS 33 HE3 LYS 33 -0.925 -16.015 -3.541 255 HZ1 LYS 33 HZ1 LYS 33 -3.326 -15.806 -3.785 256 HZ2 LYS 33 HZ2 LYS 33 -2.526 -15.186 -5.140 257 HZ3 LYS 33 HZ3 LYS 33 -3.180 -14.133 -3.989 258 HA PRO 34 HA PRO 34 -3.567 -14.892 4.748 259 HB2 PRO 34 HB2 PRO 34 -0.750 -13.933 4.907 260 HB3 PRO 34 HB3 PRO 34 -1.544 -15.241 5.792 261 HG2 PRO 34 HG2 PRO 34 0.132 -15.779 3.797 262 HG3 PRO 34 HG3 PRO 34 -1.344 -16.735 4.029 263 HD2 PRO 34 HD2 PRO 34 -0.751 -14.617 2.012 264 HD3 PRO 34 HD3 PRO 34 -1.715 -16.100 1.845 265 H THR 35 HN THR 35 -4.911 -13.196 5.104 266 HA THR 35 HA THR 35 -4.158 -10.478 4.658 267 HB THR 35 HB THR 35 -6.300 -9.933 5.810 268 HG1 THR 35 HG1 THR 35 -7.071 -12.602 5.828 269 HG21 THR 35 HG21 THR 35 -7.760 -10.928 4.110 270 HG22 THR 35 HG22 THR 35 -6.483 -12.068 3.680 271 HG23 THR 35 HG23 THR 35 -6.256 -10.342 3.401 Start of MODEL 18 1 H1 GLU 1 H1 GLU 1 17.259 0.047 -4.663 2 H2 GLU 1 H2 GLU 1 16.735 -0.015 -6.270 3 H3 GLU 1 H3 GLU 1 16.156 -1.140 -5.149 4 HA GLU 1 HA GLU 1 15.646 1.777 -5.108 5 HB2 GLU 1 HB2 GLU 1 14.431 0.579 -6.886 6 HB3 GLU 1 HB3 GLU 1 13.797 -0.546 -5.694 7 HG2 GLU 1 HG2 GLU 1 12.676 1.356 -4.569 8 HG3 GLU 1 HG3 GLU 1 13.220 2.400 -5.882 9 H LYS 2 HN LYS 2 15.385 -1.338 -3.532 10 HA LYS 2 HA LYS 2 14.024 -0.105 -1.246 11 HB2 LYS 2 HB2 LYS 2 14.575 -3.026 -1.802 12 HB3 LYS 2 HB3 LYS 2 13.607 -2.388 -0.480 13 HG2 LYS 2 HG2 LYS 2 12.036 -1.444 -2.143 14 HG3 LYS 2 HG3 LYS 2 12.976 -2.220 -3.418 15 HD2 LYS 2 HD2 LYS 2 12.552 -4.407 -2.358 16 HD3 LYS 2 HD3 LYS 2 11.552 -3.602 -1.145 17 HE2 LYS 2 HE2 LYS 2 10.151 -4.560 -2.871 18 HE3 LYS 2 HE3 LYS 2 10.067 -2.799 -2.931 19 HZ1 LYS 2 HZ1 LYS 2 11.693 -4.530 -4.717 20 HZ2 LYS 2 HZ2 LYS 2 11.664 -2.840 -4.761 21 HZ3 LYS 2 HZ3 LYS 2 10.271 -3.720 -5.142 22 H LEU 3 HN LEU 3 16.991 0.003 -2.073 23 HA LEU 3 HA LEU 3 17.990 -0.383 0.610 24 HB2 LEU 3 HB2 LEU 3 18.383 -2.485 -0.769 25 HB3 LEU 3 HB3 LEU 3 19.516 -1.532 -1.706 26 HG LEU 3 HG LEU 3 20.665 -1.048 0.553 27 HD11 LEU 3 HD11 LEU 3 20.380 -2.798 2.232 28 HD12 LEU 3 HD12 LEU 3 18.889 -1.892 1.986 29 HD13 LEU 3 HD13 LEU 3 19.070 -3.499 1.281 30 HD21 LEU 3 HD21 LEU 3 20.726 -3.816 -0.635 31 HD22 LEU 3 HD22 LEU 3 21.616 -2.414 -1.229 32 HD23 LEU 3 HD23 LEU 3 21.987 -3.085 0.360 33 H LYS 4 HN LYS 4 17.413 1.736 -1.360 34 HA LYS 4 HA LYS 4 20.043 2.943 -1.765 35 HB2 LYS 4 HB2 LYS 4 17.323 3.954 -2.621 36 HB3 LYS 4 HB3 LYS 4 18.877 4.622 -3.101 37 HG2 LYS 4 HG2 LYS 4 17.854 1.875 -3.784 38 HG3 LYS 4 HG3 LYS 4 17.910 3.263 -4.869 39 HD2 LYS 4 HD2 LYS 4 20.360 3.322 -4.635 40 HD3 LYS 4 HD3 LYS 4 20.280 1.900 -3.593 41 HE2 LYS 4 HE2 LYS 4 19.255 0.637 -5.448 42 HE3 LYS 4 HE3 LYS 4 19.427 2.055 -6.481 43 HZ1 LYS 4 HZ1 LYS 4 21.831 1.938 -6.145 44 HZ2 LYS 4 HZ2 LYS 4 21.232 0.524 -6.853 45 HZ3 LYS 4 HZ3 LYS 4 21.642 0.540 -5.212 46 H GLN 5 HN GLN 5 18.111 2.689 0.754 47 HA GLN 5 HA GLN 5 18.442 5.483 1.623 48 HB2 GLN 5 HB2 GLN 5 16.654 5.035 3.257 49 HB3 GLN 5 HB3 GLN 5 16.109 4.788 1.606 50 HG2 GLN 5 HG2 GLN 5 16.414 2.366 1.888 51 HG3 GLN 5 HG3 GLN 5 16.894 2.640 3.561 52 HE21 GLN 5 HE21 GLN 5 14.268 2.634 1.293 53 HE22 GLN 5 HE22 GLN 5 12.993 2.718 2.457 54 H ASP 6 HN ASP 6 20.303 3.065 1.692 55 HA ASP 6 HA ASP 6 20.632 2.365 4.432 56 HB2 ASP 6 HB2 ASP 6 21.418 1.111 2.292 57 HB3 ASP 6 HB3 ASP 6 22.817 2.176 2.374 58 H ILE 7 HN ILE 7 23.457 2.651 4.682 59 HA ILE 7 HA ILE 7 23.794 5.570 4.847 60 HB ILE 7 HB ILE 7 24.768 3.749 7.035 61 HG12 ILE 7 HG12 ILE 7 22.142 5.253 7.023 62 HG13 ILE 7 HG13 ILE 7 22.288 3.515 6.791 63 HG21 ILE 7 HG21 ILE 7 24.224 6.709 6.861 64 HG22 ILE 7 HG22 ILE 7 24.683 5.865 8.340 65 HG23 ILE 7 HG23 ILE 7 25.797 5.919 6.973 66 HD11 ILE 7 HD11 ILE 7 21.647 4.113 9.076 67 HD12 ILE 7 HD12 ILE 7 23.191 3.264 9.016 68 HD13 ILE 7 HD13 ILE 7 23.154 5.010 9.254 69 H LEU 8 HN LEU 8 24.888 2.991 3.354 70 HA LEU 8 HA LEU 8 27.736 3.693 3.652 71 HB2 LEU 8 HB2 LEU 8 26.378 1.096 3.024 72 HB3 LEU 8 HB3 LEU 8 28.021 1.378 2.486 73 HG LEU 8 HG LEU 8 27.996 0.113 4.562 74 HD11 LEU 8 HD11 LEU 8 28.982 2.930 4.980 75 HD12 LEU 8 HD12 LEU 8 29.497 1.504 5.880 76 HD13 LEU 8 HD13 LEU 8 29.857 1.638 4.160 77 HD21 LEU 8 HD21 LEU 8 25.855 0.958 5.432 78 HD22 LEU 8 HD22 LEU 8 27.148 1.040 6.628 79 HD23 LEU 8 HD23 LEU 8 26.630 2.503 5.790 80 H ASN 9 HN ASN 9 25.077 3.848 1.623 81 HA ASN 9 HA ASN 9 26.788 4.214 -0.742 82 HB2 ASN 9 HB2 ASN 9 24.867 3.632 -2.124 83 HB3 ASN 9 HB3 ASN 9 25.181 2.346 -0.962 84 HD21 ASN 9 HD21 ASN 9 22.730 3.067 -2.398 85 HD22 ASN 9 HD22 ASN 9 21.533 3.332 -1.180 86 H LEU 10 HN LEU 10 24.319 5.556 1.298 87 HA LEU 10 HA LEU 10 24.822 8.201 0.362 88 HB2 LEU 10 HB2 LEU 10 23.353 7.355 -1.447 89 HB3 LEU 10 HB3 LEU 10 22.111 7.027 -0.255 90 HG LEU 10 HG LEU 10 22.042 9.466 0.271 91 HD11 LEU 10 HD11 LEU 10 23.076 11.033 -1.271 92 HD12 LEU 10 HD12 LEU 10 24.301 10.029 -0.497 93 HD13 LEU 10 HD13 LEU 10 23.814 9.700 -2.159 94 HD21 LEU 10 HD21 LEU 10 20.421 8.459 -1.239 95 HD22 LEU 10 HD22 LEU 10 20.830 10.093 -1.760 96 HD23 LEU 10 HD23 LEU 10 21.517 8.704 -2.599 97 H ARG 11 HN ARG 11 24.378 9.617 1.947 98 HA ARG 11 HA ARG 11 23.583 8.726 4.488 99 HB2 ARG 11 HB2 ARG 11 23.647 11.555 3.428 100 HB3 ARG 11 HB3 ARG 11 23.602 11.094 5.123 101 HG2 ARG 11 HG2 ARG 11 25.777 9.969 4.844 102 HG3 ARG 11 HG3 ARG 11 25.824 10.533 3.172 103 HD2 ARG 11 HD2 ARG 11 25.750 12.254 5.648 104 HD3 ARG 11 HD3 ARG 11 27.138 11.993 4.594 105 HE ARG 11 HE ARG 11 25.079 12.983 3.015 106 HH11 ARG 11 HH12 ARG 11 27.046 14.037 5.689 107 HH12 ARG 11 HH11 ARG 11 26.965 15.712 5.256 108 HH21 ARG 11 HH22 ARG 11 24.962 15.185 2.438 109 HH22 ARG 11 HH21 ARG 11 25.778 16.366 3.407 110 H THR 12 HN THR 12 21.805 10.066 5.717 111 HA THR 12 HA THR 12 19.306 9.469 4.349 112 HB THR 12 HB THR 12 19.772 10.271 7.228 113 HG1 THR 12 HG1 THR 12 19.139 7.692 6.206 114 HG21 THR 12 HG21 THR 12 17.514 10.798 6.492 115 HG22 THR 12 HG22 THR 12 17.487 9.412 7.579 116 HG23 THR 12 HG23 THR 12 17.325 9.171 5.840 117 H ASP 13 HN ASP 13 19.114 11.180 2.918 118 HA ASP 13 HA ASP 13 18.972 13.882 4.040 119 HB2 ASP 13 HB2 ASP 13 18.923 14.609 1.657 120 HB3 ASP 13 HB3 ASP 13 20.364 13.685 2.072 121 H ILE 14 HN ILE 14 16.926 11.533 4.052 122 HA ILE 14 HA ILE 14 14.663 11.307 4.069 123 HB ILE 14 HB ILE 14 14.655 14.323 3.898 124 HG12 ILE 14 HG12 ILE 14 15.899 13.507 5.845 125 HG13 ILE 14 HG13 ILE 14 14.387 14.260 6.339 126 HG21 ILE 14 HG21 ILE 14 12.505 13.400 3.279 127 HG22 ILE 14 HG22 ILE 14 12.491 12.397 4.730 128 HG23 ILE 14 HG23 ILE 14 12.402 14.154 4.870 129 HD11 ILE 14 HD11 ILE 14 14.833 12.244 7.614 130 HD12 ILE 14 HD12 ILE 14 13.384 12.056 6.626 131 HD13 ILE 14 HD13 ILE 14 14.897 11.300 6.125 132 H SER 15 HN SER 15 14.039 10.291 2.261 133 HA SER 15 HA SER 15 14.215 11.429 -0.341 134 HB2 SER 15 HB2 SER 15 14.325 8.995 0.048 135 HB3 SER 15 HB3 SER 15 12.649 9.011 0.596 136 HG SER 15 HG SER 15 12.325 10.056 -1.614 137 H THR 16 HN THR 16 12.500 12.006 -1.750 138 HA THR 16 HA THR 16 10.229 13.202 -0.343 139 HB THR 16 HB THR 16 9.855 14.490 -2.402 140 HG1 THR 16 HG1 THR 16 10.607 13.196 -4.023 141 HG21 THR 16 HG21 THR 16 11.370 15.384 -0.696 142 HG22 THR 16 HG22 THR 16 11.879 15.862 -2.314 143 HG23 THR 16 HG23 THR 16 12.726 14.566 -1.470 144 H SER 17 HN SER 17 10.839 10.339 -1.717 145 HA SER 17 HA SER 17 8.350 10.100 -3.220 146 HB2 SER 17 HB2 SER 17 10.384 9.082 -4.161 147 HB3 SER 17 HB3 SER 17 10.544 8.071 -2.725 148 HG SER 17 HG SER 17 8.074 7.848 -3.797 149 H SEP 18 HN SER 18 6.536 9.544 -2.223 150 HA SEP 18 HA SER 18 6.563 7.483 -0.178 151 HB2 SEP 18 HB2 SER 18 5.249 8.858 1.419 152 HB3 SEP 18 HB3 SER 18 6.874 9.489 1.166 153 H SER 19 HN SER 19 4.529 6.520 0.180 154 HA SER 19 HA SER 19 2.207 7.454 -1.251 155 HB2 SER 19 HB2 SER 19 1.946 5.421 -2.621 156 HB3 SER 19 HB3 SER 19 3.413 6.300 -3.051 157 HG SER 19 HG SER 19 3.188 3.781 -2.270 158 H SER 20 HN SER 20 0.526 5.434 -1.164 159 HA SER 20 HA SER 20 0.753 3.841 1.211 160 HB2 SER 20 HB2 SER 20 0.174 5.992 2.231 161 HB3 SER 20 HB3 SER 20 -1.236 6.123 1.180 162 HG SER 20 HG SER 20 -2.055 4.236 2.182 163 H ILE 21 HN ILE 21 0.060 2.005 0.314 164 HA ILE 21 HA ILE 21 -2.128 1.996 -1.586 165 HB ILE 21 HB ILE 21 -0.696 -0.406 -0.453 166 HG12 ILE 21 HG12 ILE 21 0.010 1.155 -2.950 167 HG13 ILE 21 HG13 ILE 21 0.902 1.249 -1.436 168 HG21 ILE 21 HG21 ILE 21 -2.203 0.022 -3.030 169 HG22 ILE 21 HG22 ILE 21 -1.410 -1.473 -2.533 170 HG23 ILE 21 HG23 ILE 21 -2.791 -0.863 -1.623 171 HD11 ILE 21 HD11 ILE 21 2.010 -0.210 -3.019 172 HD12 ILE 21 HD12 ILE 21 1.456 -1.119 -1.614 173 HD13 ILE 21 HD13 ILE 21 0.564 -1.212 -3.133 174 H SER 22 HN SER 22 -4.160 1.215 -1.240 175 HA SER 22 HA SER 22 -5.203 1.258 1.372 176 HB2 SER 22 HB2 SER 22 -6.567 1.781 -0.597 177 HB3 SER 22 HB3 SER 22 -6.425 0.112 -1.152 178 HG SER 22 HG SER 22 -8.221 -0.071 -0.046 179 H SER 23 HN SER 23 -5.069 -1.521 -0.868 180 HA SER 23 HA SER 23 -5.076 -3.299 1.471 181 HB2 SER 23 HB2 SER 23 -5.705 -3.902 -1.428 182 HB3 SER 23 HB3 SER 23 -5.779 -5.067 -0.106 183 HG SER 23 HG SER 23 -7.297 -2.673 -0.233 184 H SER 24 HN SER 24 -3.772 -5.298 1.294 185 HA SER 24 HA SER 24 -1.278 -4.851 -0.209 186 HB2 SER 24 HB2 SER 24 -0.032 -5.828 1.689 187 HB3 SER 24 HB3 SER 24 -0.890 -4.361 2.158 188 HG SER 24 HG SER 24 -1.906 -6.979 2.549 189 H GLU 25 HN GLU 25 -3.908 -6.767 0.088 190 HA GLU 25 HA GLU 25 -2.492 -9.049 -1.078 191 HB2 GLU 25 HB2 GLU 25 -4.058 -10.574 0.221 192 HB3 GLU 25 HB3 GLU 25 -2.764 -9.818 1.138 193 HG2 GLU 25 HG2 GLU 25 -4.724 -9.713 2.457 194 HG3 GLU 25 HG3 GLU 25 -4.403 -8.082 1.870 195 H GLU 26 HN GLU 26 -4.170 -10.663 -1.989 196 HA GLU 26 HA GLU 26 -6.429 -9.172 -3.149 197 HB2 GLU 26 HB2 GLU 26 -4.651 -9.351 -4.819 198 HB3 GLU 26 HB3 GLU 26 -4.594 -11.094 -4.594 199 HG2 GLU 26 HG2 GLU 26 -6.834 -11.315 -5.474 200 HG3 GLU 26 HG3 GLU 26 -6.977 -9.565 -5.616 201 H ASN 27 HN ASN 27 -8.301 -10.337 -3.569 202 HA ASN 27 HA ASN 27 -8.783 -12.546 -1.846 203 HB2 ASN 27 HB2 ASN 27 -11.041 -12.558 -2.946 204 HB3 ASN 27 HB3 ASN 27 -10.571 -11.002 -2.269 205 HD21 ASN 27 HD21 ASN 27 -10.035 -9.310 -3.648 206 HD22 ASN 27 HD22 ASN 27 -10.473 -9.320 -5.319 207 H ASP 28 HN ASP 28 -8.619 -14.659 -2.214 208 HA ASP 28 HA ASP 28 -8.943 -15.803 -4.826 209 HB2 ASP 28 HB2 ASP 28 -6.637 -15.052 -5.041 210 HB3 ASP 28 HB3 ASP 28 -6.209 -15.843 -3.528 211 H PHE 29 HN PHE 29 -10.007 -17.625 -4.492 212 HA PHE 29 HA PHE 29 -10.716 -19.596 -3.609 213 HB2 PHE 29 HB2 PHE 29 -8.184 -20.001 -3.531 214 HB3 PHE 29 HB3 PHE 29 -8.290 -19.606 -1.819 215 HD1 PHE 29 HD1 PHE 29 -9.697 -21.889 -4.390 216 HD2 PHE 29 HD2 PHE 29 -8.813 -21.258 -0.276 217 HE1 PHE 29 HE1 PHE 29 -10.316 -24.220 -3.903 218 HE2 PHE 29 HE2 PHE 29 -9.431 -23.587 0.218 219 HZ PHE 29 HZ PHE 29 -10.182 -25.072 -1.598 220 H TRP 30 HN TRP 30 -10.655 -16.790 -2.074 221 HA TRP 30 HA TRP 30 -12.112 -17.843 0.241 222 HB2 TRP 30 HB2 TRP 30 -10.034 -15.663 0.218 223 HB3 TRP 30 HB3 TRP 30 -11.206 -15.846 1.524 224 HD1 TRP 30 HD1 TRP 30 -7.980 -17.239 0.229 225 HE1 TRP 30 HE1 TRP 30 -7.144 -19.092 1.818 226 HE3 TRP 30 HE3 TRP 30 -12.172 -17.780 3.066 227 HZ2 TRP 30 HZ2 TRP 30 -8.156 -20.595 3.995 228 HZ3 TRP 30 HZ3 TRP 30 -12.174 -19.451 4.883 229 HH2 TRP 30 HH2 TRP 30 -10.207 -20.827 5.332 230 H GLN 31 HN GLN 31 -14.008 -17.496 -0.829 231 HA GLN 31 HA GLN 31 -15.838 -16.378 -1.562 232 HB2 GLN 31 HB2 GLN 31 -14.720 -14.396 0.412 233 HB3 GLN 31 HB3 GLN 31 -16.275 -14.179 -0.377 234 HG2 GLN 31 HG2 GLN 31 -17.110 -16.211 0.607 235 HG3 GLN 31 HG3 GLN 31 -15.531 -16.552 1.313 236 HE21 GLN 31 HE21 GLN 31 -14.848 -15.395 3.101 237 HE22 GLN 31 HE22 GLN 31 -15.923 -14.424 4.044 238 HA PRO 32 HA PRO 32 -13.208 -13.716 -4.427 239 HB2 PRO 32 HB2 PRO 32 -13.633 -15.721 -6.486 240 HB3 PRO 32 HB3 PRO 32 -12.113 -15.107 -5.834 241 HG2 PRO 32 HG2 PRO 32 -13.004 -17.642 -5.408 242 HG3 PRO 32 HG3 PRO 32 -11.960 -16.768 -4.271 243 HD2 PRO 32 HD2 PRO 32 -14.919 -17.221 -4.165 244 HD3 PRO 32 HD3 PRO 32 -13.720 -17.263 -2.856 245 H LYS 33 HN LYS 33 -14.637 -12.138 -4.869 246 HA LYS 33 HA LYS 33 -16.879 -12.801 -6.659 247 HB2 LYS 33 HB2 LYS 33 -16.791 -11.075 -4.224 248 HB3 LYS 33 HB3 LYS 33 -17.848 -10.598 -5.545 249 HG2 LYS 33 HG2 LYS 33 -19.187 -11.850 -4.086 250 HG3 LYS 33 HG3 LYS 33 -18.822 -12.932 -5.431 251 HD2 LYS 33 HD2 LYS 33 -17.067 -13.995 -4.107 252 HD3 LYS 33 HD3 LYS 33 -17.400 -12.896 -2.768 253 HE2 LYS 33 HE2 LYS 33 -19.678 -13.791 -2.612 254 HE3 LYS 33 HE3 LYS 33 -19.327 -14.902 -3.935 255 HZ1 LYS 33 HZ1 LYS 33 -17.595 -15.907 -2.562 256 HZ2 LYS 33 HZ2 LYS 33 -19.106 -16.005 -1.810 257 HZ3 LYS 33 HZ3 LYS 33 -17.977 -14.859 -1.290 258 HA PRO 34 HA PRO 34 -15.245 -9.971 -9.612 259 HB2 PRO 34 HB2 PRO 34 -17.568 -8.717 -10.442 260 HB3 PRO 34 HB3 PRO 34 -16.989 -10.274 -11.041 261 HG2 PRO 34 HG2 PRO 34 -19.045 -9.693 -8.950 262 HG3 PRO 34 HG3 PRO 34 -19.051 -10.936 -10.214 263 HD2 PRO 34 HD2 PRO 34 -18.465 -11.541 -7.673 264 HD3 PRO 34 HD3 PRO 34 -17.623 -12.328 -9.026 265 H THR 35 HN THR 35 -14.099 -8.279 -8.972 266 HA THR 35 HA THR 35 -14.776 -6.493 -6.940 267 HB THR 35 HB THR 35 -12.920 -5.090 -7.774 268 HG1 THR 35 HG1 THR 35 -12.947 -6.946 -9.940 269 HG21 THR 35 HG21 THR 35 -12.450 -7.050 -6.366 270 HG22 THR 35 HG22 THR 35 -11.148 -6.748 -7.518 271 HG23 THR 35 HG23 THR 35 -12.305 -8.047 -7.813 Start of MODEL 19 1 H1 GLU 1 H1 GLU 1 30.087 6.773 11.242 2 H2 GLU 1 H2 GLU 1 29.011 7.252 12.457 3 H3 GLU 1 H3 GLU 1 30.608 7.809 12.474 4 HA GLU 1 HA GLU 1 29.128 9.535 11.717 5 HB2 GLU 1 HB2 GLU 1 30.867 8.390 9.522 6 HB3 GLU 1 HB3 GLU 1 30.261 10.040 9.578 7 HG2 GLU 1 HG2 GLU 1 32.129 8.779 11.575 8 HG3 GLU 1 HG3 GLU 1 32.582 9.907 10.298 9 H LYS 2 HN LYS 2 28.682 6.464 10.192 10 HA LYS 2 HA LYS 2 27.050 5.604 8.863 11 HB2 LYS 2 HB2 LYS 2 25.482 7.977 9.884 12 HB3 LYS 2 HB3 LYS 2 24.794 6.561 9.106 13 HG2 LYS 2 HG2 LYS 2 25.648 5.165 10.943 14 HG3 LYS 2 HG3 LYS 2 26.251 6.620 11.736 15 HD2 LYS 2 HD2 LYS 2 23.361 6.261 10.979 16 HD3 LYS 2 HD3 LYS 2 24.007 5.740 12.537 17 HE2 LYS 2 HE2 LYS 2 23.144 7.869 12.958 18 HE3 LYS 2 HE3 LYS 2 24.876 8.135 12.769 19 HZ1 LYS 2 HZ1 LYS 2 23.501 9.777 11.584 20 HZ2 LYS 2 HZ2 LYS 2 22.872 8.542 10.616 21 HZ3 LYS 2 HZ3 LYS 2 24.518 8.916 10.545 22 H LEU 3 HN LEU 3 25.116 6.651 7.251 23 HA LEU 3 HA LEU 3 26.097 8.808 5.659 24 HB2 LEU 3 HB2 LEU 3 27.582 7.011 4.897 25 HB3 LEU 3 HB3 LEU 3 26.189 6.010 4.530 26 HG LEU 3 HG LEU 3 25.490 7.644 2.808 27 HD11 LEU 3 HD11 LEU 3 27.069 9.378 2.099 28 HD12 LEU 3 HD12 LEU 3 26.498 9.645 3.745 29 HD13 LEU 3 HD13 LEU 3 28.109 8.984 3.468 30 HD21 LEU 3 HD21 LEU 3 28.316 6.636 2.487 31 HD22 LEU 3 HD22 LEU 3 26.849 5.698 2.206 32 HD23 LEU 3 HD23 LEU 3 27.217 7.088 1.185 33 H LYS 4 HN LYS 4 24.454 9.744 4.595 34 HA LYS 4 HA LYS 4 21.836 8.484 4.785 35 HB2 LYS 4 HB2 LYS 4 22.608 11.276 3.923 36 HB3 LYS 4 HB3 LYS 4 20.969 10.701 4.194 37 HG2 LYS 4 HG2 LYS 4 21.269 10.557 6.500 38 HG3 LYS 4 HG3 LYS 4 23.029 10.585 6.365 39 HD2 LYS 4 HD2 LYS 4 22.940 12.912 5.629 40 HD3 LYS 4 HD3 LYS 4 21.178 12.887 5.732 41 HE2 LYS 4 HE2 LYS 4 21.384 12.368 8.153 42 HE3 LYS 4 HE3 LYS 4 23.132 12.553 8.008 43 HZ1 LYS 4 HZ1 LYS 4 22.150 14.577 8.827 44 HZ2 LYS 4 HZ2 LYS 4 21.096 14.657 7.506 45 HZ3 LYS 4 HZ3 LYS 4 22.760 14.848 7.272 46 H GLN 5 HN GLN 5 20.334 9.137 2.841 47 HA GLN 5 HA GLN 5 21.331 7.705 0.578 48 HB2 GLN 5 HB2 GLN 5 19.104 8.159 -0.399 49 HB3 GLN 5 HB3 GLN 5 19.008 7.473 1.218 50 HG2 GLN 5 HG2 GLN 5 18.493 9.615 2.162 51 HG3 GLN 5 HG3 GLN 5 18.766 10.409 0.612 52 HE21 GLN 5 HE21 GLN 5 16.394 10.347 2.330 53 HE22 GLN 5 HE22 GLN 5 15.113 9.739 1.343 54 H ASP 6 HN ASP 6 21.136 8.530 -1.654 55 HA ASP 6 HA ASP 6 21.488 11.403 -1.979 56 HB2 ASP 6 HB2 ASP 6 23.534 9.405 -2.972 57 HB3 ASP 6 HB3 ASP 6 23.560 11.142 -3.254 58 H ILE 7 HN ILE 7 22.139 11.572 -4.583 59 HA ILE 7 HA ILE 7 19.802 10.391 -5.874 60 HB ILE 7 HB ILE 7 21.632 12.333 -7.239 61 HG12 ILE 7 HG12 ILE 7 19.449 13.079 -5.276 62 HG13 ILE 7 HG13 ILE 7 21.177 13.265 -4.990 63 HG21 ILE 7 HG21 ILE 7 18.652 11.866 -7.339 64 HG22 ILE 7 HG22 ILE 7 19.545 13.028 -8.319 65 HG23 ILE 7 HG23 ILE 7 19.833 11.299 -8.520 66 HD11 ILE 7 HD11 ILE 7 21.294 14.838 -6.872 67 HD12 ILE 7 HD12 ILE 7 19.552 14.678 -7.092 68 HD13 ILE 7 HD13 ILE 7 20.192 15.379 -5.603 69 H LEU 8 HN LEU 8 22.366 8.923 -5.279 70 HA LEU 8 HA LEU 8 22.753 7.873 -7.989 71 HB2 LEU 8 HB2 LEU 8 24.985 8.451 -6.040 72 HB3 LEU 8 HB3 LEU 8 25.168 7.629 -7.578 73 HG LEU 8 HG LEU 8 24.256 10.491 -7.252 74 HD11 LEU 8 HD11 LEU 8 26.588 10.179 -6.581 75 HD12 LEU 8 HD12 LEU 8 26.925 9.396 -8.125 76 HD13 LEU 8 HD13 LEU 8 26.459 11.097 -8.083 77 HD21 LEU 8 HD21 LEU 8 24.579 10.633 -9.659 78 HD22 LEU 8 HD22 LEU 8 25.030 8.930 -9.716 79 HD23 LEU 8 HD23 LEU 8 23.389 9.393 -9.268 80 H ASN 9 HN ASN 9 22.035 7.316 -4.791 81 HA ASN 9 HA ASN 9 22.422 4.437 -5.155 82 HB2 ASN 9 HB2 ASN 9 23.087 4.263 -2.735 83 HB3 ASN 9 HB3 ASN 9 24.282 5.035 -3.773 84 HD21 ASN 9 HD21 ASN 9 21.874 5.543 -1.302 85 HD22 ASN 9 HD22 ASN 9 22.428 7.102 -0.808 86 H LEU 10 HN LEU 10 20.158 6.485 -5.137 87 HA LEU 10 HA LEU 10 18.560 5.737 -2.865 88 HB2 LEU 10 HB2 LEU 10 16.751 6.981 -4.169 89 HB3 LEU 10 HB3 LEU 10 18.131 7.902 -3.606 90 HG LEU 10 HG LEU 10 19.107 7.656 -5.926 91 HD11 LEU 10 HD11 LEU 10 17.820 5.781 -6.727 92 HD12 LEU 10 HD12 LEU 10 16.317 6.681 -6.518 93 HD13 LEU 10 HD13 LEU 10 17.489 7.190 -7.734 94 HD21 LEU 10 HD21 LEU 10 17.720 9.442 -6.855 95 HD22 LEU 10 HD22 LEU 10 16.488 9.119 -5.636 96 HD23 LEU 10 HD23 LEU 10 18.074 9.718 -5.150 97 H ARG 11 HN ARG 11 19.501 3.872 -5.200 98 HA ARG 11 HA ARG 11 16.994 2.817 -6.162 99 HB2 ARG 11 HB2 ARG 11 19.803 1.734 -6.444 100 HB3 ARG 11 HB3 ARG 11 18.386 1.150 -7.307 101 HG2 ARG 11 HG2 ARG 11 18.149 3.315 -8.398 102 HG3 ARG 11 HG3 ARG 11 19.571 3.907 -7.538 103 HD2 ARG 11 HD2 ARG 11 19.537 1.574 -9.447 104 HD3 ARG 11 HD3 ARG 11 20.078 3.203 -9.846 105 HE ARG 11 HE ARG 11 21.428 2.018 -7.593 106 HH11 ARG 11 HH12 ARG 11 21.399 2.421 -11.054 107 HH12 ARG 11 HH11 ARG 11 23.090 2.096 -11.236 108 HH21 ARG 11 HH22 ARG 11 23.655 1.589 -7.822 109 HH22 ARG 11 HH21 ARG 11 24.372 1.618 -9.398 110 H THR 12 HN THR 12 18.874 2.430 -3.380 111 HA THR 12 HA THR 12 17.578 -0.157 -2.810 112 HB THR 12 HB THR 12 19.973 -0.466 -2.889 113 HG1 THR 12 HG1 THR 12 18.797 -1.540 -1.193 114 HG21 THR 12 HG21 THR 12 21.478 0.738 -1.360 115 HG22 THR 12 HG22 THR 12 20.126 1.738 -0.829 116 HG23 THR 12 HG23 THR 12 20.689 1.831 -2.497 117 H ASP 13 HN ASP 13 18.463 3.008 -1.549 118 HA ASP 13 HA ASP 13 16.589 2.559 0.682 119 HB2 ASP 13 HB2 ASP 13 19.064 4.303 0.663 120 HB3 ASP 13 HB3 ASP 13 17.925 4.165 2.001 121 H ILE 14 HN ILE 14 14.800 3.709 0.486 122 HA ILE 14 HA ILE 14 14.889 6.504 -0.201 123 HB ILE 14 HB ILE 14 14.854 5.609 -2.438 124 HG12 ILE 14 HG12 ILE 14 12.677 6.530 -3.253 125 HG13 ILE 14 HG13 ILE 14 12.138 6.633 -1.578 126 HG21 ILE 14 HG21 ILE 14 14.007 3.380 -1.918 127 HG22 ILE 14 HG22 ILE 14 12.408 4.054 -1.609 128 HG23 ILE 14 HG23 ILE 14 13.093 4.121 -3.233 129 HD11 ILE 14 HD11 ILE 14 12.898 8.785 -2.386 130 HD12 ILE 14 HD12 ILE 14 13.951 8.198 -1.098 131 HD13 ILE 14 HD13 ILE 14 14.475 8.099 -2.779 132 H SER 15 HN SER 15 13.421 7.530 0.983 133 HA SER 15 HA SER 15 10.811 6.419 1.482 134 HB2 SER 15 HB2 SER 15 12.725 6.843 3.790 135 HB3 SER 15 HB3 SER 15 11.005 6.495 3.949 136 HG SER 15 HG SER 15 11.462 4.470 3.702 137 H THR 16 HN THR 16 9.325 7.955 2.259 138 HA THR 16 HA THR 16 10.284 10.646 2.815 139 HB THR 16 HB THR 16 8.332 10.139 0.560 140 HG1 THR 16 HG1 THR 16 10.583 9.640 0.088 141 HG21 THR 16 HG21 THR 16 9.600 12.690 1.566 142 HG22 THR 16 HG22 THR 16 7.909 12.228 1.757 143 HG23 THR 16 HG23 THR 16 8.559 12.548 0.149 144 H SER 17 HN SER 17 9.405 10.204 4.887 145 HA SER 17 HA SER 17 7.826 10.211 6.522 146 HB2 SER 17 HB2 SER 17 6.266 11.727 4.418 147 HB3 SER 17 HB3 SER 17 5.880 11.682 6.139 148 HG SER 17 HG SER 17 7.166 13.528 5.345 149 H SEP 18 HN SER 18 7.747 8.091 4.321 150 HA SEP 18 HA SER 18 6.544 6.235 3.807 151 HB2 SEP 18 HB2 SER 18 6.512 5.925 6.238 152 HB3 SEP 18 HB3 SER 18 5.069 6.932 6.359 153 H SER 19 HN SER 19 5.604 6.930 1.912 154 HA SER 19 HA SER 19 3.216 8.504 1.866 155 HB2 SER 19 HB2 SER 19 3.239 8.063 -0.560 156 HB3 SER 19 HB3 SER 19 4.823 8.583 0.010 157 HG SER 19 HG SER 19 5.582 6.547 -0.201 158 H SER 20 HN SER 20 1.497 7.423 0.143 159 HA SER 20 HA SER 20 0.865 4.696 0.906 160 HB2 SER 20 HB2 SER 20 -1.012 6.982 1.562 161 HB3 SER 20 HB3 SER 20 -1.396 5.268 1.718 162 HG SER 20 HG SER 20 0.236 6.882 3.290 163 H ILE 21 HN ILE 21 0.675 3.880 -1.082 164 HA ILE 21 HA ILE 21 -1.249 5.155 -2.908 165 HB ILE 21 HB ILE 21 0.139 4.537 -4.830 166 HG12 ILE 21 HG12 ILE 21 2.285 3.836 -2.816 167 HG13 ILE 21 HG13 ILE 21 1.314 2.642 -3.671 168 HG21 ILE 21 HG21 ILE 21 1.875 6.233 -4.550 169 HG22 ILE 21 HG22 ILE 21 0.335 6.778 -3.888 170 HG23 ILE 21 HG23 ILE 21 1.611 6.221 -2.805 171 HD11 ILE 21 HD11 ILE 21 3.476 2.902 -4.719 172 HD12 ILE 21 HD12 ILE 21 2.201 3.466 -5.799 173 HD13 ILE 21 HD13 ILE 21 3.194 4.633 -4.922 174 H SER 22 HN SER 22 -1.060 2.716 -0.996 175 HA SER 22 HA SER 22 -1.164 0.354 -2.466 176 HB2 SER 22 HB2 SER 22 -1.047 0.380 -0.019 177 HB3 SER 22 HB3 SER 22 -2.674 1.057 0.063 178 HG SER 22 HG SER 22 -2.638 -1.224 0.362 179 H SER 23 HN SER 23 -2.368 0.148 -4.249 180 HA SER 23 HA SER 23 -5.046 1.268 -4.364 181 HB2 SER 23 HB2 SER 23 -3.448 -0.235 -6.450 182 HB3 SER 23 HB3 SER 23 -5.004 0.548 -6.724 183 HG SER 23 HG SER 23 -3.885 2.273 -7.108 184 H SER 24 HN SER 24 -3.480 -1.907 -4.463 185 HA SER 24 HA SER 24 -6.112 -3.124 -3.946 186 HB2 SER 24 HB2 SER 24 -3.849 -4.299 -5.576 187 HB3 SER 24 HB3 SER 24 -5.365 -5.115 -5.195 188 HG SER 24 HG SER 24 -5.840 -4.245 -7.091 189 H GLU 25 HN GLU 25 -6.020 -5.191 -2.791 190 HA GLU 25 HA GLU 25 -3.606 -5.782 -1.302 191 HB2 GLU 25 HB2 GLU 25 -4.668 -3.987 0.026 192 HB3 GLU 25 HB3 GLU 25 -6.139 -4.946 0.129 193 HG2 GLU 25 HG2 GLU 25 -4.939 -5.167 2.178 194 HG3 GLU 25 HG3 GLU 25 -4.850 -6.700 1.313 195 H GLU 26 HN GLU 26 -7.114 -6.385 -1.429 196 HA GLU 26 HA GLU 26 -6.533 -9.271 -1.454 197 HB2 GLU 26 HB2 GLU 26 -8.760 -7.862 0.028 198 HB3 GLU 26 HB3 GLU 26 -8.657 -9.606 -0.178 199 HG2 GLU 26 HG2 GLU 26 -6.583 -7.921 1.208 200 HG3 GLU 26 HG3 GLU 26 -7.866 -8.813 2.024 201 H ASN 27 HN ASN 27 -7.359 -10.311 -3.147 202 HA ASN 27 HA ASN 27 -9.072 -8.890 -4.994 203 HB2 ASN 27 HB2 ASN 27 -8.710 -10.791 -6.482 204 HB3 ASN 27 HB3 ASN 27 -7.176 -10.240 -5.816 205 HD21 ASN 27 HD21 ASN 27 -6.083 -11.520 -4.347 206 HD22 ASN 27 HD22 ASN 27 -6.473 -13.186 -4.100 207 H ASP 28 HN ASP 28 -11.141 -9.475 -5.614 208 HA ASP 28 HA ASP 28 -12.447 -11.717 -4.319 209 HB2 ASP 28 HB2 ASP 28 -14.317 -10.254 -3.498 210 HB3 ASP 28 HB3 ASP 28 -12.797 -10.046 -2.636 211 H PHE 29 HN PHE 29 -13.724 -12.682 -5.732 212 HA PHE 29 HA PHE 29 -15.488 -11.309 -7.479 213 HB2 PHE 29 HB2 PHE 29 -13.363 -10.941 -8.709 214 HB3 PHE 29 HB3 PHE 29 -13.135 -12.685 -8.792 215 HD1 PHE 29 HD2 PHE 29 -15.080 -9.839 -10.034 216 HD2 PHE 29 HD1 PHE 29 -14.422 -14.035 -10.309 217 HE1 PHE 29 HE2 PHE 29 -16.374 -9.902 -12.126 218 HE2 PHE 29 HE1 PHE 29 -15.713 -14.104 -12.402 219 HZ PHE 29 HZ PHE 29 -16.709 -12.038 -13.302 220 H TRP 30 HN TRP 30 -13.786 -14.218 -6.614 221 HA TRP 30 HA TRP 30 -15.915 -15.903 -7.668 222 HB2 TRP 30 HB2 TRP 30 -13.265 -16.611 -6.381 223 HB3 TRP 30 HB3 TRP 30 -14.405 -17.776 -7.050 224 HD1 TRP 30 HD1 TRP 30 -11.390 -15.994 -8.003 225 HE1 TRP 30 HE1 TRP 30 -11.092 -15.972 -10.562 226 HE3 TRP 30 HE3 TRP 30 -16.092 -17.435 -9.361 227 HZ2 TRP 30 HZ2 TRP 30 -12.658 -16.495 -12.858 228 HZ3 TRP 30 HZ3 TRP 30 -16.618 -17.647 -11.762 229 HH2 TRP 30 HH2 TRP 30 -14.936 -17.186 -13.470 230 H GLN 31 HN GLN 31 -15.225 -17.918 -5.485 231 HA GLN 31 HA GLN 31 -16.872 -16.701 -3.383 232 HB2 GLN 31 HB2 GLN 31 -16.785 -19.588 -4.276 233 HB3 GLN 31 HB3 GLN 31 -17.723 -18.980 -2.920 234 HG2 GLN 31 HG2 GLN 31 -18.996 -17.553 -4.454 235 HG3 GLN 31 HG3 GLN 31 -18.075 -18.209 -5.807 236 HE21 GLN 31 HE21 GLN 31 -19.918 -19.023 -6.795 237 HE22 GLN 31 HE22 GLN 31 -20.751 -20.411 -6.192 238 HA PRO 32 HA PRO 32 -12.748 -17.591 -1.460 239 HB2 PRO 32 HB2 PRO 32 -13.789 -15.526 0.392 240 HB3 PRO 32 HB3 PRO 32 -12.216 -15.634 -0.404 241 HG2 PRO 32 HG2 PRO 32 -14.039 -13.856 -1.200 242 HG3 PRO 32 HG3 PRO 32 -12.994 -14.691 -2.365 243 HD2 PRO 32 HD2 PRO 32 -15.861 -15.204 -1.682 244 HD3 PRO 32 HD3 PRO 32 -15.055 -15.238 -3.264 245 H LYS 33 HN LYS 33 -12.265 -18.053 0.890 246 HA LYS 33 HA LYS 33 -12.615 -19.193 2.825 247 HB2 LYS 33 HB2 LYS 33 -15.414 -18.182 2.346 248 HB3 LYS 33 HB3 LYS 33 -15.047 -19.244 3.696 249 HG2 LYS 33 HG2 LYS 33 -15.025 -16.992 4.479 250 HG3 LYS 33 HG3 LYS 33 -13.365 -17.587 4.467 251 HD2 LYS 33 HD2 LYS 33 -12.933 -16.414 2.384 252 HD3 LYS 33 HD3 LYS 33 -14.614 -15.879 2.314 253 HE2 LYS 33 HE2 LYS 33 -14.317 -14.585 4.340 254 HE3 LYS 33 HE3 LYS 33 -12.667 -15.181 4.510 255 HZ1 LYS 33 HZ1 LYS 33 -12.079 -14.067 2.460 256 HZ2 LYS 33 HZ2 LYS 33 -12.735 -12.956 3.553 257 HZ3 LYS 33 HZ3 LYS 33 -13.667 -13.521 2.260 258 HA PRO 34 HA PRO 34 -13.370 -23.490 2.137 259 HB2 PRO 34 HB2 PRO 34 -15.801 -23.191 3.873 260 HB3 PRO 34 HB3 PRO 34 -14.598 -24.486 3.851 261 HG2 PRO 34 HG2 PRO 34 -14.517 -22.518 5.678 262 HG3 PRO 34 HG3 PRO 34 -13.044 -23.249 5.021 263 HD2 PRO 34 HD2 PRO 34 -14.135 -20.557 4.595 264 HD3 PRO 34 HD3 PRO 34 -12.499 -21.168 4.288 265 H THR 35 HN THR 35 -13.895 -23.273 -0.032 266 HA THR 35 HA THR 35 -16.165 -22.302 -1.194 267 HB THR 35 HB THR 35 -14.444 -22.875 -2.669 268 HG1 THR 35 HG1 THR 35 -16.134 -23.395 -3.883 269 HG21 THR 35 HG21 THR 35 -14.563 -25.688 -1.575 270 HG22 THR 35 HG22 THR 35 -13.279 -24.508 -1.303 271 HG23 THR 35 HG23 THR 35 -13.547 -25.163 -2.919 Start of MODEL 20 1 H1 GLU 1 H1 GLU 1 31.059 4.826 -5.023 2 H2 GLU 1 H2 GLU 1 29.460 5.371 -5.071 3 H3 GLU 1 H3 GLU 1 30.018 4.509 -3.728 4 HA GLU 1 HA GLU 1 31.564 6.285 -3.200 5 HB2 GLU 1 HB2 GLU 1 30.257 7.565 -5.602 6 HB3 GLU 1 HB3 GLU 1 31.133 8.493 -4.393 7 HG2 GLU 1 HG2 GLU 1 32.564 8.071 -6.266 8 HG3 GLU 1 HG3 GLU 1 33.151 7.166 -4.873 9 H LYS 2 HN LYS 2 30.757 6.845 -1.304 10 HA LYS 2 HA LYS 2 29.354 7.566 0.333 11 HB2 LYS 2 HB2 LYS 2 27.934 9.107 -1.842 12 HB3 LYS 2 HB3 LYS 2 27.975 9.475 -0.123 13 HG2 LYS 2 HG2 LYS 2 30.333 9.578 -1.995 14 HG3 LYS 2 HG3 LYS 2 29.415 10.966 -1.410 15 HD2 LYS 2 HD2 LYS 2 30.074 10.452 0.881 16 HD3 LYS 2 HD3 LYS 2 30.960 9.031 0.319 17 HE2 LYS 2 HE2 LYS 2 31.548 11.907 -0.379 18 HE3 LYS 2 HE3 LYS 2 32.482 10.882 0.711 19 HZ1 LYS 2 HZ1 LYS 2 32.991 9.431 -1.156 20 HZ2 LYS 2 HZ2 LYS 2 33.505 11.012 -1.470 21 HZ3 LYS 2 HZ3 LYS 2 32.099 10.421 -2.199 22 H LEU 3 HN LEU 3 26.746 8.026 0.628 23 HA LEU 3 HA LEU 3 25.073 6.198 -0.784 24 HB2 LEU 3 HB2 LEU 3 26.365 4.655 0.679 25 HB3 LEU 3 HB3 LEU 3 25.752 5.516 2.076 26 HG LEU 3 HG LEU 3 23.436 4.875 1.375 27 HD11 LEU 3 HD11 LEU 3 23.194 3.036 -0.229 28 HD12 LEU 3 HD12 LEU 3 23.852 4.488 -0.985 29 HD13 LEU 3 HD13 LEU 3 24.916 3.138 -0.594 30 HD21 LEU 3 HD21 LEU 3 24.600 3.641 3.112 31 HD22 LEU 3 HD22 LEU 3 23.631 2.546 2.126 32 HD23 LEU 3 HD23 LEU 3 25.378 2.628 1.896 33 H LYS 4 HN LYS 4 23.000 6.841 -0.631 34 HA LYS 4 HA LYS 4 22.386 8.914 1.360 35 HB2 LYS 4 HB2 LYS 4 20.898 8.276 -1.192 36 HB3 LYS 4 HB3 LYS 4 20.623 9.651 -0.133 37 HG2 LYS 4 HG2 LYS 4 21.838 10.589 -1.845 38 HG3 LYS 4 HG3 LYS 4 23.095 10.229 -0.662 39 HD2 LYS 4 HD2 LYS 4 23.745 8.256 -1.854 40 HD3 LYS 4 HD3 LYS 4 22.362 8.398 -2.942 41 HE2 LYS 4 HE2 LYS 4 24.399 9.160 -4.034 42 HE3 LYS 4 HE3 LYS 4 23.267 10.495 -3.819 43 HZ1 LYS 4 HZ1 LYS 4 25.513 11.157 -3.256 44 HZ2 LYS 4 HZ2 LYS 4 25.624 9.925 -2.103 45 HZ3 LYS 4 HZ3 LYS 4 24.532 11.196 -1.877 46 H GLN 5 HN GLN 5 20.775 6.216 -0.324 47 HA GLN 5 HA GLN 5 19.286 5.670 2.159 48 HB2 GLN 5 HB2 GLN 5 17.354 4.998 0.733 49 HB3 GLN 5 HB3 GLN 5 17.731 6.715 0.656 50 HG2 GLN 5 HG2 GLN 5 18.943 6.311 -1.460 51 HG3 GLN 5 HG3 GLN 5 18.434 4.623 -1.391 52 HE21 GLN 5 HE21 GLN 5 17.870 6.674 -3.388 53 HE22 GLN 5 HE22 GLN 5 16.150 6.788 -3.484 54 H ASP 6 HN ASP 6 17.944 3.422 1.390 55 HA ASP 6 HA ASP 6 20.133 1.527 0.846 56 HB2 ASP 6 HB2 ASP 6 17.605 1.106 2.458 57 HB3 ASP 6 HB3 ASP 6 18.855 -0.102 2.180 58 H ILE 7 HN ILE 7 20.015 0.778 -1.163 59 HA ILE 7 HA ILE 7 17.729 0.873 -2.793 60 HB ILE 7 HB ILE 7 20.033 0.806 -3.666 61 HG12 ILE 7 HG12 ILE 7 18.362 -1.513 -4.650 62 HG13 ILE 7 HG13 ILE 7 18.060 0.172 -5.056 63 HG21 ILE 7 HG21 ILE 7 21.241 -1.314 -3.785 64 HG22 ILE 7 HG22 ILE 7 20.960 -0.830 -2.111 65 HG23 ILE 7 HG23 ILE 7 19.969 -2.093 -2.843 66 HD11 ILE 7 HD11 ILE 7 20.244 0.296 -6.144 67 HD12 ILE 7 HD12 ILE 7 20.529 -1.398 -5.747 68 HD13 ILE 7 HD13 ILE 7 19.226 -0.960 -6.851 69 H LEU 8 HN LEU 8 18.925 -1.557 -0.599 70 HA LEU 8 HA LEU 8 16.479 -3.034 -0.822 71 HB2 LEU 8 HB2 LEU 8 18.060 -3.867 -2.654 72 HB3 LEU 8 HB3 LEU 8 19.039 -4.519 -1.353 73 HG LEU 8 HG LEU 8 17.170 -5.932 -0.641 74 HD11 LEU 8 HD11 LEU 8 15.733 -4.869 -3.066 75 HD12 LEU 8 HD12 LEU 8 15.135 -6.064 -1.913 76 HD13 LEU 8 HD13 LEU 8 15.383 -4.393 -1.403 77 HD21 LEU 8 HD21 LEU 8 18.778 -6.800 -2.244 78 HD22 LEU 8 HD22 LEU 8 17.167 -7.440 -2.571 79 HD23 LEU 8 HD23 LEU 8 17.824 -6.147 -3.575 80 H ASN 9 HN ASN 9 19.300 -2.087 0.744 81 HA ASN 9 HA ASN 9 19.589 -4.020 2.747 82 HB2 ASN 9 HB2 ASN 9 20.035 -1.071 3.194 83 HB3 ASN 9 HB3 ASN 9 20.888 -2.423 3.929 84 HD21 ASN 9 HD21 ASN 9 20.564 -0.416 1.127 85 HD22 ASN 9 HD22 ASN 9 21.999 -0.950 0.326 86 H LEU 10 HN LEU 10 17.408 -1.308 2.402 87 HA LEU 10 HA LEU 10 15.462 -2.349 4.123 88 HB2 LEU 10 HB2 LEU 10 17.151 -1.774 5.855 89 HB3 LEU 10 HB3 LEU 10 17.049 -0.098 5.356 90 HG LEU 10 HG LEU 10 14.632 -0.118 5.989 91 HD11 LEU 10 HD11 LEU 10 15.337 -2.815 7.138 92 HD12 LEU 10 HD12 LEU 10 13.843 -1.928 7.443 93 HD13 LEU 10 HD13 LEU 10 14.211 -2.501 5.816 94 HD21 LEU 10 HD21 LEU 10 16.299 0.801 7.491 95 HD22 LEU 10 HD22 LEU 10 15.049 -0.040 8.410 96 HD23 LEU 10 HD23 LEU 10 16.619 -0.802 8.151 97 H ARG 11 HN ARG 11 13.966 -1.706 2.646 98 HA ARG 11 HA ARG 11 13.952 0.931 1.519 99 HB2 ARG 11 HB2 ARG 11 11.798 -1.192 1.467 100 HB3 ARG 11 HB3 ARG 11 11.849 0.251 0.465 101 HG2 ARG 11 HG2 ARG 11 13.930 -0.556 -0.555 102 HG3 ARG 11 HG3 ARG 11 13.803 -2.035 0.399 103 HD2 ARG 11 HD2 ARG 11 11.863 -1.046 -1.688 104 HD3 ARG 11 HD3 ARG 11 12.948 -2.428 -1.824 105 HE ARG 11 HE ARG 11 11.397 -2.944 0.379 106 HH11 ARG 11 HH12 ARG 11 10.801 -2.296 -2.995 107 HH12 ARG 11 HH11 ARG 11 9.363 -3.259 -3.056 108 HH21 ARG 11 HH22 ARG 11 9.504 -4.212 0.302 109 HH22 ARG 11 HH21 ARG 11 8.626 -4.346 -1.184 110 H THR 12 HN THR 12 13.307 2.688 2.566 111 HA THR 12 HA THR 12 10.908 2.555 4.228 112 HB THR 12 HB THR 12 12.607 2.303 5.892 113 HG1 THR 12 HG1 THR 12 10.894 4.107 6.025 114 HG21 THR 12 HG21 THR 12 14.530 3.057 4.580 115 HG22 THR 12 HG22 THR 12 14.468 3.875 6.141 116 HG23 THR 12 HG23 THR 12 13.953 4.721 4.682 117 H ASP 13 HN ASP 13 13.394 4.602 2.748 118 HA ASP 13 HA ASP 13 13.312 6.673 1.820 119 HB2 ASP 13 HB2 ASP 13 11.786 5.659 0.256 120 HB3 ASP 13 HB3 ASP 13 10.442 5.857 1.375 121 H ILE 14 HN ILE 14 9.998 7.048 2.750 122 HA ILE 14 HA ILE 14 10.756 8.756 5.010 123 HB ILE 14 HB ILE 14 8.789 9.591 2.871 124 HG12 ILE 14 HG12 ILE 14 11.506 10.756 3.527 125 HG13 ILE 14 HG13 ILE 14 11.186 9.689 2.164 126 HG21 ILE 14 HG21 ILE 14 8.171 10.373 5.093 127 HG22 ILE 14 HG22 ILE 14 9.786 11.044 5.319 128 HG23 ILE 14 HG23 ILE 14 8.717 11.718 4.088 129 HD11 ILE 14 HD11 ILE 14 10.009 12.424 2.605 130 HD12 ILE 14 HD12 ILE 14 11.260 11.989 1.440 131 HD13 ILE 14 HD13 ILE 14 9.624 11.352 1.257 132 H SER 15 HN SER 15 7.711 8.061 3.302 133 HA SER 15 HA SER 15 6.609 7.086 5.852 134 HB2 SER 15 HB2 SER 15 4.393 7.711 4.952 135 HB3 SER 15 HB3 SER 15 5.482 9.094 5.021 136 HG SER 15 HG SER 15 4.196 8.132 2.918 137 H THR 16 HN THR 16 5.666 5.113 5.962 138 HA THR 16 HA THR 16 6.122 3.311 3.735 139 HB THR 16 HB THR 16 6.714 2.539 5.968 140 HG1 THR 16 HG1 THR 16 5.418 1.182 4.238 141 HG21 THR 16 HG21 THR 16 3.771 2.806 6.605 142 HG22 THR 16 HG22 THR 16 5.061 3.824 7.247 143 HG23 THR 16 HG23 THR 16 5.000 2.112 7.661 144 H SER 17 HN SER 17 3.551 5.155 4.998 145 HA SER 17 HA SER 17 1.568 3.506 3.579 146 HB2 SER 17 HB2 SER 17 1.157 5.571 5.756 147 HB3 SER 17 HB3 SER 17 -0.131 4.675 4.951 148 HG SER 17 HG SER 17 1.970 3.577 6.514 149 H SEP 18 HN SER 18 -0.246 4.775 2.587 150 HA SEP 18 HA SER 18 -0.914 6.148 0.898 151 HB2 SEP 18 HB2 SER 18 -0.835 8.498 1.368 152 HB3 SEP 18 HB3 SER 18 -1.009 7.664 2.911 153 H SER 19 HN SER 19 1.792 4.882 0.688 154 HA SER 19 HA SER 19 3.325 6.803 -0.856 155 HB2 SER 19 HB2 SER 19 4.949 4.939 -1.103 156 HB3 SER 19 HB3 SER 19 4.548 5.266 0.583 157 HG SER 19 HG SER 19 3.902 3.073 -1.015 158 H SER 20 HN SER 20 2.122 3.508 -1.517 159 HA SER 20 HA SER 20 1.126 4.343 -4.103 160 HB2 SER 20 HB2 SER 20 3.356 2.304 -3.885 161 HB3 SER 20 HB3 SER 20 2.451 2.667 -5.354 162 HG SER 20 HG SER 20 4.092 4.013 -5.578 163 H ILE 21 HN ILE 21 -0.704 3.302 -4.499 164 HA ILE 21 HA ILE 21 -2.422 1.820 -4.361 165 HB ILE 21 HB ILE 21 -0.282 -0.245 -3.840 166 HG12 ILE 21 HG12 ILE 21 -1.419 0.666 -6.493 167 HG13 ILE 21 HG13 ILE 21 0.157 1.144 -5.869 168 HG21 ILE 21 HG21 ILE 21 -2.532 -1.042 -3.396 169 HG22 ILE 21 HG22 ILE 21 -3.065 -0.477 -4.978 170 HG23 ILE 21 HG23 ILE 21 -1.896 -1.792 -4.861 171 HD11 ILE 21 HD11 ILE 21 0.344 -0.646 -7.502 172 HD12 ILE 21 HD12 ILE 21 0.882 -1.179 -5.909 173 HD13 ILE 21 HD13 ILE 21 -0.701 -1.667 -6.514 174 H SER 22 HN SER 22 -3.420 2.573 -2.516 175 HA SER 22 HA SER 22 -3.074 0.889 -0.149 176 HB2 SER 22 HB2 SER 22 -1.768 2.914 0.307 177 HB3 SER 22 HB3 SER 22 -3.168 3.916 -0.074 178 HG SER 22 HG SER 22 -2.524 2.764 2.246 179 H SER 23 HN SER 23 -4.982 3.516 -1.597 180 HA SER 23 HA SER 23 -7.407 2.253 -0.502 181 HB2 SER 23 HB2 SER 23 -8.458 4.488 -0.640 182 HB3 SER 23 HB3 SER 23 -7.046 4.488 0.413 183 HG SER 23 HG SER 23 -6.140 5.054 -1.966 184 H SER 24 HN SER 24 -9.400 3.105 -1.893 185 HA SER 24 HA SER 24 -10.579 2.822 -3.813 186 HB2 SER 24 HB2 SER 24 -8.035 3.853 -5.093 187 HB3 SER 24 HB3 SER 24 -9.615 3.776 -5.872 188 HG SER 24 HG SER 24 -8.905 5.842 -4.821 189 H GLU 25 HN GLU 25 -9.991 1.991 -6.340 190 HA GLU 25 HA GLU 25 -9.724 0.106 -7.579 191 HB2 GLU 25 HB2 GLU 25 -7.347 0.616 -7.255 192 HB3 GLU 25 HB3 GLU 25 -7.348 -0.303 -5.755 193 HG2 GLU 25 HG2 GLU 25 -7.852 -2.340 -6.997 194 HG3 GLU 25 HG3 GLU 25 -7.868 -1.421 -8.501 195 H GLU 26 HN GLU 26 -11.540 -1.045 -7.081 196 HA GLU 26 HA GLU 26 -12.024 -2.434 -4.699 197 HB2 GLU 26 HB2 GLU 26 -13.740 -1.858 -6.418 198 HB3 GLU 26 HB3 GLU 26 -13.080 -3.121 -7.449 199 HG2 GLU 26 HG2 GLU 26 -13.629 -4.789 -5.741 200 HG3 GLU 26 HG3 GLU 26 -14.321 -3.516 -4.736 201 H ASN 27 HN ASN 27 -11.545 -4.457 -3.992 202 HA ASN 27 HA ASN 27 -10.261 -6.340 -5.812 203 HB2 ASN 27 HB2 ASN 27 -8.440 -6.749 -4.119 204 HB3 ASN 27 HB3 ASN 27 -8.346 -5.201 -4.949 205 HD21 ASN 27 HD21 ASN 27 -7.170 -4.213 -3.352 206 HD22 ASN 27 HD22 ASN 27 -7.831 -3.813 -1.808 207 H ASP 28 HN ASP 28 -12.690 -5.897 -3.869 208 HA ASP 28 HA ASP 28 -12.503 -8.052 -2.009 209 HB2 ASP 28 HB2 ASP 28 -14.858 -6.461 -3.038 210 HB3 ASP 28 HB3 ASP 28 -14.998 -7.706 -1.800 211 H PHE 29 HN PHE 29 -11.846 -9.829 -3.285 212 HA PHE 29 HA PHE 29 -13.930 -11.488 -4.181 213 HB2 PHE 29 HB2 PHE 29 -13.615 -9.751 -6.107 214 HB3 PHE 29 HB3 PHE 29 -12.181 -10.698 -6.485 215 HD1 PHE 29 HD2 PHE 29 -15.716 -11.457 -5.551 216 HD2 PHE 29 HD1 PHE 29 -12.478 -12.160 -8.221 217 HE1 PHE 29 HE2 PHE 29 -17.105 -13.051 -6.810 218 HE2 PHE 29 HE1 PHE 29 -13.860 -13.755 -9.484 219 HZ PHE 29 HZ PHE 29 -16.181 -14.187 -8.792 220 H TRP 30 HN TRP 30 -10.549 -10.712 -4.075 221 HA TRP 30 HA TRP 30 -9.911 -13.478 -3.500 222 HB2 TRP 30 HB2 TRP 30 -8.652 -11.940 -5.777 223 HB3 TRP 30 HB3 TRP 30 -7.917 -13.367 -5.058 224 HD1 TRP 30 HD1 TRP 30 -10.314 -12.333 -7.672 225 HE1 TRP 30 HE1 TRP 30 -11.464 -14.391 -8.707 226 HE3 TRP 30 HE3 TRP 30 -8.878 -15.851 -4.263 227 HZ2 TRP 30 HZ2 TRP 30 -11.724 -17.147 -8.147 228 HZ3 TRP 30 HZ3 TRP 30 -9.617 -18.175 -4.582 229 HH2 TRP 30 HH2 TRP 30 -11.010 -18.809 -6.484 230 H GLN 31 HN GLN 31 -8.237 -13.687 -2.130 231 HA GLN 31 HA GLN 31 -6.669 -11.300 -1.451 232 HB2 GLN 31 HB2 GLN 31 -6.893 -11.899 0.965 233 HB3 GLN 31 HB3 GLN 31 -8.391 -11.368 0.214 234 HG2 GLN 31 HG2 GLN 31 -9.120 -13.682 0.006 235 HG3 GLN 31 HG3 GLN 31 -7.608 -14.230 0.728 236 HE21 GLN 31 HE21 GLN 31 -10.357 -14.623 1.621 237 HE22 GLN 31 HE22 GLN 31 -10.440 -13.972 3.220 238 HA PRO 32 HA PRO 32 -4.099 -15.230 -1.682 239 HB2 PRO 32 HB2 PRO 32 -2.898 -14.930 -4.053 240 HB3 PRO 32 HB3 PRO 32 -4.524 -15.615 -3.929 241 HG2 PRO 32 HG2 PRO 32 -3.686 -12.848 -4.692 242 HG3 PRO 32 HG3 PRO 32 -4.957 -13.867 -5.394 243 HD2 PRO 32 HD2 PRO 32 -5.398 -11.852 -3.561 244 HD3 PRO 32 HD3 PRO 32 -6.489 -13.222 -3.835 245 H LYS 33 HN LYS 33 -1.700 -15.370 -1.795 246 HA LYS 33 HA LYS 33 -0.515 -13.074 -0.554 247 HB2 LYS 33 HB2 LYS 33 1.500 -14.488 -0.412 248 HB3 LYS 33 HB3 LYS 33 0.069 -15.311 0.196 249 HG2 LYS 33 HG2 LYS 33 -0.118 -16.412 -2.060 250 HG3 LYS 33 HG3 LYS 33 1.479 -15.755 -2.420 251 HD2 LYS 33 HD2 LYS 33 2.339 -16.903 -0.387 252 HD3 LYS 33 HD3 LYS 33 0.750 -17.647 -0.193 253 HE2 LYS 33 HE2 LYS 33 2.531 -17.952 -2.606 254 HE3 LYS 33 HE3 LYS 33 2.366 -19.136 -1.310 255 HZ1 LYS 33 HZ1 LYS 33 0.175 -18.219 -3.095 256 HZ2 LYS 33 HZ2 LYS 33 0.028 -19.366 -1.860 257 HZ3 LYS 33 HZ3 LYS 33 0.988 -19.699 -3.213 258 HA PRO 34 HA PRO 34 1.261 -11.015 -4.026 259 HB2 PRO 34 HB2 PRO 34 3.797 -10.793 -2.522 260 HB3 PRO 34 HB3 PRO 34 2.763 -9.519 -3.175 261 HG2 PRO 34 HG2 PRO 34 2.872 -10.003 -0.549 262 HG3 PRO 34 HG3 PRO 34 1.356 -9.535 -1.341 263 HD2 PRO 34 HD2 PRO 34 2.270 -12.236 -0.434 264 HD3 PRO 34 HD3 PRO 34 0.654 -11.504 -0.348 265 H THR 35 HN THR 35 2.585 -13.850 -2.742 266 HA THR 35 HA THR 35 3.928 -15.500 -3.551 267 HB THR 35 HB THR 35 3.214 -14.315 -6.242 268 HG1 THR 35 HG1 THR 35 1.887 -16.569 -5.418 269 HG21 THR 35 HG21 THR 35 3.616 -16.595 -7.077 270 HG22 THR 35 HG22 THR 35 4.149 -17.083 -5.468 271 HG23 THR 35 HG23 THR 35 5.072 -15.887 -6.379
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