NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
631703 | 6fs4 | 34237 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 THR 2 H THR 2 1.806 0.001 0.856 2 HA THR 2 HA THR 2 2.806 -0.811 -1.194 3 HB THR 2 HB THR 2 0.976 0.730 -2.920 4 HG1 THR 2 HG1 THR 2 -0.702 -0.133 -1.887 5 HG21 THR 2 HG21 THR 2 2.693 -1.633 -3.024 6 HG22 THR 2 HG22 THR 2 2.226 -0.516 -4.307 7 HG23 THR 2 HG23 THR 2 1.156 -1.845 -3.859 8 H LYS 3 H LYS 3 3.772 0.592 -3.043 9 HA LYS 3 HA LYS 3 4.310 3.266 -1.930 10 HB2 LYS 3 HB2 LYS 3 6.185 1.499 -2.065 11 HB3 LYS 3 HB3 LYS 3 6.150 1.791 -3.798 12 HG2 LYS 3 HG2 LYS 3 7.831 3.197 -3.072 13 HG3 LYS 3 HG3 LYS 3 6.435 4.274 -3.156 14 HD2 LYS 3 HD2 LYS 3 6.388 3.146 -0.587 15 HD3 LYS 3 HD3 LYS 3 8.071 3.580 -0.895 16 HE2 LYS 3 HE2 LYS 3 5.834 5.496 -1.461 17 HE3 LYS 3 HE3 LYS 3 6.525 5.347 0.154 18 HZ1 LYS 3 HZ1 LYS 3 7.572 7.121 -1.118 19 HZ2 LYS 3 HZ2 LYS 3 8.043 6.018 -2.309 20 HZ3 LYS 3 HZ3 LYS 3 8.687 5.904 -0.749 21 H LEU 4 H LEU 4 3.221 1.493 -4.669 22 HA LEU 4 HA LEU 4 3.487 3.778 -6.462 23 HB2 LEU 4 HB2 LEU 4 2.467 0.977 -6.893 24 HB3 LEU 4 HB3 LEU 4 2.499 2.218 -8.143 25 HG LEU 4 HG LEU 4 5.113 1.970 -7.017 26 HD11 LEU 4 HD11 LEU 4 4.729 -0.230 -6.323 27 HD12 LEU 4 HD12 LEU 4 5.489 -0.394 -7.906 28 HD13 LEU 4 HD13 LEU 4 3.745 -0.601 -7.739 29 HD21 LEU 4 HD21 LEU 4 4.040 1.193 -9.726 30 HD22 LEU 4 HD22 LEU 4 5.721 1.536 -9.317 31 HD23 LEU 4 HD23 LEU 4 4.516 2.824 -9.252 32 H THR 5 H THR 5 0.890 1.635 -5.291 33 HA THR 5 HA THR 5 -1.281 2.951 -6.372 34 HB THR 5 HB THR 5 -1.578 1.925 -3.593 35 HG1 THR 5 HG1 THR 5 -1.515 -0.255 -4.592 36 HG21 THR 5 HG21 THR 5 -3.509 2.605 -4.994 37 HG22 THR 5 HG22 THR 5 -3.572 0.910 -4.513 38 HG23 THR 5 HG23 THR 5 -3.078 1.345 -6.148 39 H GLU 6 H GLU 6 0.198 3.499 -3.177 40 HA GLU 6 HA GLU 6 -1.470 5.526 -2.292 41 HB2 GLU 6 HB2 GLU 6 1.419 4.899 -1.761 42 HB3 GLU 6 HB3 GLU 6 0.660 6.309 -1.036 43 HG2 GLU 6 HG2 GLU 6 -1.135 4.637 -0.229 44 HG3 GLU 6 HG3 GLU 6 0.086 3.414 -0.577 45 H GLU 7 H GLU 7 1.716 5.961 -3.843 46 HA GLU 7 HA GLU 7 1.656 8.707 -4.113 47 HB2 GLU 7 HB2 GLU 7 2.968 6.528 -5.697 48 HB3 GLU 7 HB3 GLU 7 3.076 8.192 -6.253 49 HG2 GLU 7 HG2 GLU 7 3.701 8.050 -3.460 50 HG3 GLU 7 HG3 GLU 7 4.687 6.903 -4.364 51 H GLU 8 H GLU 8 0.688 6.326 -6.589 52 HA GLU 8 HA GLU 8 -0.244 8.104 -8.497 53 HB2 GLU 8 HB2 GLU 8 -1.107 5.298 -7.816 54 HB3 GLU 8 HB3 GLU 8 -1.771 6.178 -9.186 55 HG2 GLU 8 HG2 GLU 8 1.184 5.916 -8.900 56 HG3 GLU 8 HG3 GLU 8 0.238 4.557 -9.506 57 H LYS 9 H LYS 9 -1.863 6.826 -5.647 58 HA LYS 9 HA LYS 9 -4.426 7.912 -6.286 59 HB2 LYS 9 HB2 LYS 9 -4.183 5.989 -4.787 60 HB3 LYS 9 HB3 LYS 9 -3.296 6.983 -3.639 61 HG2 LYS 9 HG2 LYS 9 -5.742 8.293 -4.154 62 HG3 LYS 9 HG3 LYS 9 -6.104 6.588 -3.874 63 HD2 LYS 9 HD2 LYS 9 -5.205 6.622 -1.729 64 HD3 LYS 9 HD3 LYS 9 -4.249 8.071 -2.048 65 HE2 LYS 9 HE2 LYS 9 -6.443 9.309 -2.266 66 HE3 LYS 9 HE3 LYS 9 -7.222 7.865 -1.622 67 HZ1 LYS 9 HZ1 LYS 9 -6.277 9.884 -0.127 68 HZ2 LYS 9 HZ2 LYS 9 -4.974 8.808 -0.074 69 HZ3 LYS 9 HZ3 LYS 9 -6.506 8.305 0.437 70 H ASN 10 H ASN 10 -1.569 9.106 -4.716 71 HA ASN 10 HA ASN 10 -2.831 11.305 -3.390 72 HB2 ASN 10 HB2 ASN 10 0.082 10.931 -4.123 73 HB3 ASN 10 HB3 ASN 10 -0.557 12.090 -2.961 74 HD21 ASN 10 HD21 ASN 10 1.371 9.919 -2.615 75 HD22 ASN 10 HD22 ASN 10 0.728 8.910 -1.368 76 H ARG 11 H ARG 11 -1.070 10.888 -6.432 77 HA ARG 11 HA ARG 11 -0.840 13.515 -7.243 78 HB2 ARG 11 HB2 ARG 11 0.041 11.439 -8.405 79 HB3 ARG 11 HB3 ARG 11 -1.563 11.250 -9.100 80 HG2 ARG 11 HG2 ARG 11 -0.792 13.908 -9.591 81 HG3 ARG 11 HG3 ARG 11 0.602 12.895 -9.971 82 HD2 ARG 11 HD2 ARG 11 -2.190 12.415 -11.000 83 HD3 ARG 11 HD3 ARG 11 -0.933 13.270 -11.893 84 HE ARG 11 HE ARG 11 -1.161 10.431 -11.507 85 HH11 ARG 11 HH11 ARG 11 2.184 12.064 -12.979 86 HH12 ARG 11 HH12 ARG 11 1.013 13.064 -12.185 87 HH21 ARG 11 HH21 ARG 11 1.819 9.812 -13.188 88 HH22 ARG 11 HH22 ARG 11 0.373 9.104 -12.551 89 H LEU 12 H LEU 12 -3.637 11.378 -7.437 90 HA LEU 12 HA LEU 12 -5.257 13.059 -9.023 91 HB2 LEU 12 HB2 LEU 12 -6.379 11.219 -6.950 92 HB3 LEU 12 HB3 LEU 12 -7.009 11.608 -8.549 93 HG LEU 12 HG LEU 12 -4.689 9.801 -7.886 94 HD11 LEU 12 HD11 LEU 12 -6.857 8.840 -9.583 95 HD12 LEU 12 HD12 LEU 12 -7.373 9.268 -7.953 96 HD13 LEU 12 HD13 LEU 12 -6.086 8.086 -8.188 97 HD21 LEU 12 HD21 LEU 12 -5.490 11.126 -10.418 98 HD22 LEU 12 HD22 LEU 12 -4.979 9.440 -10.498 99 HD23 LEU 12 HD23 LEU 12 -3.891 10.662 -9.837 100 H ASN 13 H ASN 13 -4.576 12.951 -5.598 101 HA ASN 13 HA ASN 13 -6.701 14.789 -4.920 102 HB2 ASN 13 HB2 ASN 13 -4.482 13.481 -3.361 103 HB3 ASN 13 HB3 ASN 13 -5.471 14.754 -2.653 104 HD21 ASN 13 HD21 ASN 13 -6.230 12.029 -4.789 105 HD22 ASN 13 HD22 ASN 13 -7.433 11.337 -3.760 106 H PHE 14 H PHE 14 -3.178 14.879 -5.239 107 HA PHE 14 HA PHE 14 -2.829 17.542 -4.384 108 HB2 PHE 14 HB2 PHE 14 -0.903 16.153 -4.442 109 HB3 PHE 14 HB3 PHE 14 -1.171 15.727 -6.129 110 HD1 PHE 14 HD1 PHE 14 -0.106 16.906 -7.819 111 HD2 PHE 14 HD2 PHE 14 -0.357 18.601 -3.922 112 HE1 PHE 14 HE1 PHE 14 1.393 18.728 -8.518 113 HE2 PHE 14 HE2 PHE 14 1.141 20.426 -4.616 114 HZ PHE 14 HZ PHE 14 2.017 20.492 -6.916 115 H LEU 15 H LEU 15 -3.306 16.130 -7.597 116 HA LEU 15 HA LEU 15 -3.007 18.508 -9.069 117 HB2 LEU 15 HB2 LEU 15 -3.230 15.957 -9.761 118 HB3 LEU 15 HB3 LEU 15 -4.911 16.427 -10.000 119 HG LEU 15 HG LEU 15 -3.848 16.582 -12.108 120 HD11 LEU 15 HD11 LEU 15 -5.268 18.563 -11.195 121 HD12 LEU 15 HD12 LEU 15 -4.394 18.735 -12.716 122 HD13 LEU 15 HD13 LEU 15 -3.736 19.436 -11.238 123 HD21 LEU 15 HD21 LEU 15 -1.772 18.470 -11.070 124 HD22 LEU 15 HD22 LEU 15 -1.768 17.505 -12.546 125 HD23 LEU 15 HD23 LEU 15 -1.522 16.727 -10.981 126 H LYS 16 H LYS 16 -5.911 16.900 -7.800 127 HA LYS 16 HA LYS 16 -7.714 18.887 -8.746 128 HB2 LYS 16 HB2 LYS 16 -8.061 16.844 -6.543 129 HB3 LYS 16 HB3 LYS 16 -9.356 17.785 -7.270 130 HG2 LYS 16 HG2 LYS 16 -7.663 16.191 -9.099 131 HG3 LYS 16 HG3 LYS 16 -8.765 15.310 -8.038 132 HD2 LYS 16 HD2 LYS 16 -9.841 17.659 -9.502 133 HD3 LYS 16 HD3 LYS 16 -9.506 16.196 -10.432 134 HE2 LYS 16 HE2 LYS 16 -11.160 15.012 -9.419 135 HE3 LYS 16 HE3 LYS 16 -10.971 15.856 -7.883 136 HZ1 LYS 16 HZ1 LYS 16 -12.377 17.510 -8.510 137 HZ2 LYS 16 HZ2 LYS 16 -13.050 16.248 -9.413 138 HZ3 LYS 16 HZ3 LYS 16 -12.023 17.366 -10.158 139 H LYS 17 H LYS 17 -5.746 18.555 -5.910 140 HA LYS 17 HA LYS 17 -7.160 20.470 -4.318 141 HB2 LYS 17 HB2 LYS 17 -5.825 18.784 -3.220 142 HB3 LYS 17 HB3 LYS 17 -4.382 19.306 -4.080 143 HG2 LYS 17 HG2 LYS 17 -3.985 20.984 -2.651 144 HG3 LYS 17 HG3 LYS 17 -5.693 21.409 -2.516 145 HD2 LYS 17 HD2 LYS 17 -6.046 19.532 -0.994 146 HD3 LYS 17 HD3 LYS 17 -4.347 19.078 -1.148 147 HE2 LYS 17 HE2 LYS 17 -4.236 21.741 -0.442 148 HE3 LYS 17 HE3 LYS 17 -5.597 21.131 0.498 149 HZ1 LYS 17 HZ1 LYS 17 -4.121 19.331 1.286 150 HZ2 LYS 17 HZ2 LYS 17 -3.606 20.870 1.763 151 HZ3 LYS 17 HZ3 LYS 17 -2.824 20.073 0.493 152 H ILE 18 H ILE 18 -4.374 20.555 -6.475 153 HA ILE 18 HA ILE 18 -3.869 23.355 -5.918 154 HB ILE 18 HB ILE 18 -2.032 23.189 -7.461 155 HG12 ILE 18 HG12 ILE 18 -3.150 20.467 -8.163 156 HG13 ILE 18 HG13 ILE 18 -3.098 21.877 -9.216 157 HG21 ILE 18 HG21 ILE 18 -2.308 21.628 -5.161 158 HG22 ILE 18 HG22 ILE 18 -1.510 20.591 -6.343 159 HG23 ILE 18 HG23 ILE 18 -0.808 22.153 -5.924 160 HD11 ILE 18 HD11 ILE 18 -1.163 21.131 -9.978 161 HD12 ILE 18 HD12 ILE 18 -0.465 21.469 -8.394 162 HD13 ILE 18 HD13 ILE 18 -1.107 19.866 -8.751 163 H SER 19 H SER 19 -5.565 21.428 -8.248 164 HA SER 19 HA SER 19 -5.668 23.149 -10.429 165 HB2 SER 19 HB2 SER 19 -6.701 21.245 -11.077 166 HB3 SER 19 HB3 SER 19 -7.243 20.876 -9.440 167 HG SER 19 HG SER 19 -8.579 22.088 -11.487 168 H GLN 20 H GLN 20 -7.417 23.224 -7.401 169 HA GLN 20 HA GLN 20 -9.496 24.948 -8.038 170 HB2 GLN 20 HB2 GLN 20 -7.971 24.988 -5.434 171 HB3 GLN 20 HB3 GLN 20 -9.651 25.436 -5.695 172 HG2 GLN 20 HG2 GLN 20 -8.451 22.684 -5.835 173 HG3 GLN 20 HG3 GLN 20 -9.597 23.301 -4.645 174 HE21 GLN 20 HE21 GLN 20 -9.983 20.976 -6.166 175 HE22 GLN 20 HE22 GLN 20 -11.343 21.226 -7.203 176 H ARG 21 H ARG 21 -6.143 25.668 -7.206 177 HA ARG 21 HA ARG 21 -6.641 28.531 -7.505 178 HB2 ARG 21 HB2 ARG 21 -4.437 28.862 -6.598 179 HB3 ARG 21 HB3 ARG 21 -5.281 27.691 -5.594 180 HG2 ARG 21 HG2 ARG 21 -4.041 25.885 -6.514 181 HG3 ARG 21 HG3 ARG 21 -3.355 26.918 -7.769 182 HD2 ARG 21 HD2 ARG 21 -2.725 28.160 -5.343 183 HD3 ARG 21 HD3 ARG 21 -2.436 26.440 -5.082 184 HE ARG 21 HE ARG 21 -1.289 27.165 -7.527 185 HH11 ARG 21 HH11 ARG 21 0.839 28.024 -4.247 186 HH12 ARG 21 HH12 ARG 21 -0.868 27.755 -4.122 187 HH21 ARG 21 HH21 ARG 21 1.876 27.889 -6.286 188 HH22 ARG 21 HH22 ARG 21 0.957 27.516 -7.705 189 H TYR 22 H TYR 22 -5.092 25.851 -9.109 190 HA TYR 22 HA TYR 22 -3.858 27.607 -11.086 191 HB2 TYR 22 HB2 TYR 22 -3.197 25.086 -10.021 192 HB3 TYR 22 HB3 TYR 22 -3.619 24.801 -11.706 193 HD1 TYR 22 HD1 TYR 22 -1.876 27.646 -10.022 194 HD2 TYR 22 HD2 TYR 22 -1.664 24.528 -12.909 195 HE1 TYR 22 HE1 TYR 22 0.348 28.440 -10.708 196 HE2 TYR 22 HE2 TYR 22 0.562 25.312 -13.602 197 HH TYR 22 HH TYR 22 2.460 27.224 -11.868 198 H GLN 23 H GLN 23 -5.959 28.361 -11.862 199 HA GLN 23 HA GLN 23 -7.003 26.558 -13.926 200 HB2 GLN 23 HB2 GLN 23 -8.438 27.490 -11.608 201 HB3 GLN 23 HB3 GLN 23 -9.188 28.113 -13.072 202 HG2 GLN 23 HG2 GLN 23 -8.858 25.566 -13.810 203 HG3 GLN 23 HG3 GLN 23 -8.992 25.346 -12.066 204 HE21 GLN 23 HE21 GLN 23 -10.564 27.218 -14.643 205 HE22 GLN 23 HE22 GLN 23 -12.179 26.917 -14.108 206 H LYS 24 H LYS 24 -5.402 29.250 -13.420 207 HA LYS 24 HA LYS 24 -6.701 30.682 -15.643 208 HB2 LYS 24 HB2 LYS 24 -6.184 32.778 -14.669 209 HB3 LYS 24 HB3 LYS 24 -6.890 31.811 -13.381 210 HG2 LYS 24 HG2 LYS 24 -4.537 31.261 -12.663 211 HG3 LYS 24 HG3 LYS 24 -3.996 32.499 -13.799 212 HD2 LYS 24 HD2 LYS 24 -6.144 33.315 -11.954 213 HD3 LYS 24 HD3 LYS 24 -4.583 32.976 -11.203 214 HE2 LYS 24 HE2 LYS 24 -4.237 34.530 -13.601 215 HE3 LYS 24 HE3 LYS 24 -5.378 35.321 -12.514 216 HZ1 LYS 24 HZ1 LYS 24 -2.569 34.564 -11.976 217 HZ2 LYS 24 HZ2 LYS 24 -3.651 34.931 -10.729 218 HZ3 LYS 24 HZ3 LYS 24 -3.276 36.099 -11.894 219 H PHE 25 H PHE 25 -3.768 29.545 -14.166 220 HA PHE 25 HA PHE 25 -1.802 30.885 -15.533 221 HB2 PHE 25 HB2 PHE 25 -0.363 29.030 -15.105 222 HB3 PHE 25 HB3 PHE 25 -1.498 29.110 -13.761 223 HD1 PHE 25 HD1 PHE 25 -3.644 27.628 -14.030 224 HD2 PHE 25 HD2 PHE 25 0.004 27.008 -16.134 225 HE1 PHE 25 HE1 PHE 25 -4.271 25.281 -14.419 226 HE2 PHE 25 HE2 PHE 25 -0.617 24.661 -16.527 227 HZ PHE 25 HZ PHE 25 -2.757 23.794 -15.670 228 H ALA 26 H ALA 26 -3.895 28.319 -16.691 229 HA ALA 26 HA ALA 26 -3.678 29.023 -19.380 230 HB1 ALA 26 HB1 ALA 26 -1.594 27.182 -18.422 231 HB2 ALA 26 HB2 ALA 26 -2.423 26.686 -19.898 232 HB3 ALA 26 HB3 ALA 26 -1.611 28.250 -19.825 233 H LEU 27 H LEU 27 -4.044 26.287 -17.161 234 HA LEU 27 HA LEU 27 -5.639 24.679 -16.970 235 HB2 LEU 27 HB2 LEU 27 -7.104 26.705 -17.005 236 HB3 LEU 27 HB3 LEU 27 -7.307 26.458 -18.738 237 HG LEU 27 HG LEU 27 -7.982 24.127 -17.083 238 HD11 LEU 27 HD11 LEU 27 -9.964 24.955 -16.138 239 HD12 LEU 27 HD12 LEU 27 -9.858 26.472 -17.031 240 HD13 LEU 27 HD13 LEU 27 -8.726 26.139 -15.720 241 HD21 LEU 27 HD21 LEU 27 -8.520 23.933 -19.333 242 HD22 LEU 27 HD22 LEU 27 -9.099 25.596 -19.443 243 HD23 LEU 27 HD23 LEU 27 -10.058 24.381 -18.596 244 HA PRO 28 HA PRO 28 -4.435 22.943 -21.072 245 HB2 PRO 28 HB2 PRO 28 -3.434 20.639 -20.043 246 HB3 PRO 28 HB3 PRO 28 -2.482 22.122 -20.182 247 HG2 PRO 28 HG2 PRO 28 -3.892 20.992 -17.795 248 HG3 PRO 28 HG3 PRO 28 -2.279 21.722 -17.900 249 HD2 PRO 28 HD2 PRO 28 -4.434 23.077 -16.976 250 HD3 PRO 28 HD3 PRO 28 -3.111 23.871 -17.854 251 H GLN 29 H GLN 29 -6.635 22.222 -18.629 252 HA GLN 29 HA GLN 29 -7.603 19.711 -19.125 253 HB2 GLN 29 HB2 GLN 29 -9.339 22.142 -18.677 254 HB3 GLN 29 HB3 GLN 29 -9.747 20.472 -18.307 255 HG2 GLN 29 HG2 GLN 29 -7.949 20.420 -16.637 256 HG3 GLN 29 HG3 GLN 29 -7.596 22.112 -16.986 257 HE21 GLN 29 HE21 GLN 29 -8.273 23.300 -15.357 258 HE22 GLN 29 HE22 GLN 29 -9.793 23.151 -14.549 259 H TYR 30 H TYR 30 -9.167 22.577 -20.551 260 HA TYR 30 HA TYR 30 -10.641 21.261 -22.472 261 HB2 TYR 30 HB2 TYR 30 -11.035 23.347 -23.454 262 HB3 TYR 30 HB3 TYR 30 -10.657 23.752 -21.783 263 HD1 TYR 30 HD1 TYR 30 -7.769 23.687 -21.676 264 HD2 TYR 30 HD2 TYR 30 -10.308 25.091 -24.789 265 HE1 TYR 30 HE1 TYR 30 -5.985 25.196 -22.442 266 HE2 TYR 30 HE2 TYR 30 -8.530 26.604 -25.564 267 HH TYR 30 HH TYR 30 -6.523 27.708 -24.647 268 H LEU 31 H LEU 31 -10.352 21.317 -24.858 269 HA LEU 31 HA LEU 31 -8.151 19.853 -25.673 270 HB2 LEU 31 HB2 LEU 31 -10.414 21.144 -26.923 271 HB3 LEU 31 HB3 LEU 31 -8.982 21.234 -27.946 272 HG LEU 31 HG LEU 31 -10.396 19.303 -28.484 273 HD11 LEU 31 HD11 LEU 31 -8.058 19.119 -28.968 274 HD12 LEU 31 HD12 LEU 31 -8.617 17.573 -28.331 275 HD13 LEU 31 HD13 LEU 31 -7.698 18.671 -27.301 276 HD21 LEU 31 HD21 LEU 31 -9.630 17.931 -25.968 277 HD22 LEU 31 HD22 LEU 31 -11.045 17.708 -26.996 278 HD23 LEU 31 HD23 LEU 31 -10.960 19.087 -25.899 279 H LYS 32 H LYS 32 -6.494 20.465 -27.292 280 HA LYS 32 HA LYS 32 -5.559 23.234 -26.956 281 HB2 LYS 32 HB2 LYS 32 -3.221 22.315 -26.877 282 HB3 LYS 32 HB3 LYS 32 -4.203 21.954 -25.464 283 HG2 LYS 32 HG2 LYS 32 -3.771 19.803 -25.723 284 HG3 LYS 32 HG3 LYS 32 -4.557 19.836 -27.303 285 HD2 LYS 32 HD2 LYS 32 -2.522 19.217 -28.048 286 HD3 LYS 32 HD3 LYS 32 -2.162 20.939 -27.911 287 HE2 LYS 32 HE2 LYS 32 -0.388 19.886 -26.809 288 HE3 LYS 32 HE3 LYS 32 -1.456 20.414 -25.510 289 HZ1 LYS 32 HZ1 LYS 32 -1.723 18.329 -24.849 290 HZ2 LYS 32 HZ2 LYS 32 -0.517 17.866 -25.941 291 HZ3 LYS 32 HZ3 LYS 32 -2.144 17.806 -26.402 Start of MODEL 2 1 H1 THR 2 H THR 2 2.718 -2.227 1.072 2 HA THR 2 HA THR 2 2.861 -2.091 -1.853 3 HB THR 2 HB THR 2 0.776 -0.338 -0.893 4 HG1 THR 2 HG1 THR 2 0.662 -3.057 -0.158 5 HG21 THR 2 HG21 THR 2 0.592 -2.684 -2.781 6 HG22 THR 2 HG22 THR 2 1.229 -1.105 -3.242 7 HG23 THR 2 HG23 THR 2 -0.450 -1.262 -2.725 8 H LYS 3 H LYS 3 2.527 0.384 -2.469 9 HA LYS 3 HA LYS 3 3.306 2.401 -0.702 10 HB2 LYS 3 HB2 LYS 3 5.445 0.712 -1.291 11 HB3 LYS 3 HB3 LYS 3 5.685 2.101 -2.343 12 HG2 LYS 3 HG2 LYS 3 5.758 3.593 -0.501 13 HG3 LYS 3 HG3 LYS 3 5.200 2.343 0.614 14 HD2 LYS 3 HD2 LYS 3 7.418 1.169 -0.422 15 HD3 LYS 3 HD3 LYS 3 7.890 2.870 -0.451 16 HE2 LYS 3 HE2 LYS 3 7.368 3.068 1.919 17 HE3 LYS 3 HE3 LYS 3 6.836 1.388 1.957 18 HZ1 LYS 3 HZ1 LYS 3 9.016 0.631 1.597 19 HZ2 LYS 3 HZ2 LYS 3 9.158 1.840 2.772 20 HZ3 LYS 3 HZ3 LYS 3 9.582 2.167 1.167 21 H LEU 4 H LEU 4 3.389 1.138 -3.974 22 HA LEU 4 HA LEU 4 3.693 3.586 -5.335 23 HB2 LEU 4 HB2 LEU 4 2.633 2.342 -7.250 24 HB3 LEU 4 HB3 LEU 4 4.080 1.612 -6.556 25 HG LEU 4 HG LEU 4 2.049 0.372 -5.176 26 HD11 LEU 4 HD11 LEU 4 0.742 1.557 -7.267 27 HD12 LEU 4 HD12 LEU 4 0.193 0.128 -6.393 28 HD13 LEU 4 HD13 LEU 4 1.092 -0.052 -7.900 29 HD21 LEU 4 HD21 LEU 4 2.534 -1.496 -6.906 30 HD22 LEU 4 HD22 LEU 4 3.841 -0.916 -5.873 31 HD23 LEU 4 HD23 LEU 4 3.724 -0.360 -7.543 32 H THR 5 H THR 5 0.767 1.708 -4.567 33 HA THR 5 HA THR 5 -1.146 3.344 -5.679 34 HB THR 5 HB THR 5 -1.927 1.311 -4.801 35 HG1 THR 5 HG1 THR 5 -2.835 3.142 -2.831 36 HG21 THR 5 HG21 THR 5 -0.703 2.172 -2.182 37 HG22 THR 5 HG22 THR 5 -0.239 0.801 -3.189 38 HG23 THR 5 HG23 THR 5 -1.787 0.792 -2.345 39 H GLU 6 H GLU 6 0.472 3.678 -2.556 40 HA GLU 6 HA GLU 6 -1.070 5.736 -1.481 41 HB2 GLU 6 HB2 GLU 6 1.811 4.952 -1.129 42 HB3 GLU 6 HB3 GLU 6 1.142 6.345 -0.292 43 HG2 GLU 6 HG2 GLU 6 -0.227 3.702 -0.101 44 HG3 GLU 6 HG3 GLU 6 1.204 4.028 0.875 45 H GLU 7 H GLU 7 1.979 5.998 -3.315 46 HA GLU 7 HA GLU 7 1.939 8.818 -3.466 47 HB2 GLU 7 HB2 GLU 7 3.517 6.628 -4.626 48 HB3 GLU 7 HB3 GLU 7 3.412 8.056 -5.646 49 HG2 GLU 7 HG2 GLU 7 4.071 8.463 -2.788 50 HG3 GLU 7 HG3 GLU 7 5.305 7.745 -3.821 51 H GLU 8 H GLU 8 1.112 6.342 -5.892 52 HA GLU 8 HA GLU 8 0.323 8.014 -7.948 53 HB2 GLU 8 HB2 GLU 8 0.556 5.596 -8.216 54 HB3 GLU 8 HB3 GLU 8 -0.839 5.331 -7.180 55 HG2 GLU 8 HG2 GLU 8 -2.312 6.286 -8.785 56 HG3 GLU 8 HG3 GLU 8 -0.964 6.847 -9.772 57 H LYS 9 H LYS 9 -1.508 6.915 -5.143 58 HA LYS 9 HA LYS 9 -4.004 7.987 -5.960 59 HB2 LYS 9 HB2 LYS 9 -4.009 6.281 -4.293 60 HB3 LYS 9 HB3 LYS 9 -2.907 7.189 -3.265 61 HG2 LYS 9 HG2 LYS 9 -5.274 8.729 -3.792 62 HG3 LYS 9 HG3 LYS 9 -5.697 7.139 -3.152 63 HD2 LYS 9 HD2 LYS 9 -4.575 7.499 -1.161 64 HD3 LYS 9 HD3 LYS 9 -3.522 8.732 -1.859 65 HE2 LYS 9 HE2 LYS 9 -4.907 10.340 -1.204 66 HE3 LYS 9 HE3 LYS 9 -6.247 9.581 -2.061 67 HZ1 LYS 9 HZ1 LYS 9 -6.781 8.292 -0.166 68 HZ2 LYS 9 HZ2 LYS 9 -6.581 9.881 0.380 69 HZ3 LYS 9 HZ3 LYS 9 -5.361 8.737 0.640 70 H ASN 10 H ASN 10 -1.256 9.288 -4.220 71 HA ASN 10 HA ASN 10 -2.518 11.618 -3.229 72 HB2 ASN 10 HB2 ASN 10 0.402 11.151 -3.876 73 HB3 ASN 10 HB3 ASN 10 -0.232 12.467 -2.892 74 HD21 ASN 10 HD21 ASN 10 1.642 10.284 -2.259 75 HD22 ASN 10 HD22 ASN 10 0.969 9.484 -0.883 76 H ARG 11 H ARG 11 -0.802 10.894 -6.227 77 HA ARG 11 HA ARG 11 -0.508 13.422 -7.287 78 HB2 ARG 11 HB2 ARG 11 0.228 11.153 -8.243 79 HB3 ARG 11 HB3 ARG 11 -1.374 11.078 -8.964 80 HG2 ARG 11 HG2 ARG 11 -0.679 13.490 -9.826 81 HG3 ARG 11 HG3 ARG 11 0.935 12.802 -9.638 82 HD2 ARG 11 HD2 ARG 11 -1.160 11.211 -11.040 83 HD3 ARG 11 HD3 ARG 11 -0.397 12.553 -11.893 84 HE ARG 11 HE ARG 11 1.707 11.160 -10.913 85 HH11 ARG 11 HH11 ARG 11 -0.275 8.996 -13.637 86 HH12 ARG 11 HH12 ARG 11 -1.082 10.284 -12.804 87 HH21 ARG 11 HH21 ARG 11 1.921 8.532 -13.179 88 HH22 ARG 11 HH22 ARG 11 2.780 9.467 -12.002 89 H LEU 12 H LEU 12 -3.397 11.497 -6.965 90 HA LEU 12 HA LEU 12 -4.988 13.107 -8.732 91 HB2 LEU 12 HB2 LEU 12 -6.186 11.393 -6.609 92 HB3 LEU 12 HB3 LEU 12 -6.729 11.678 -8.261 93 HG LEU 12 HG LEU 12 -4.460 9.898 -7.379 94 HD11 LEU 12 HD11 LEU 12 -6.743 9.018 -7.041 95 HD12 LEU 12 HD12 LEU 12 -5.822 8.105 -8.236 96 HD13 LEU 12 HD13 LEU 12 -7.059 9.248 -8.761 97 HD21 LEU 12 HD21 LEU 12 -4.630 9.300 -9.923 98 HD22 LEU 12 HD22 LEU 12 -3.646 10.662 -9.387 99 HD23 LEU 12 HD23 LEU 12 -5.254 10.944 -10.056 100 H ASN 13 H ASN 13 -4.333 13.002 -5.287 101 HA ASN 13 HA ASN 13 -6.389 14.878 -4.592 102 HB2 ASN 13 HB2 ASN 13 -4.059 13.680 -3.108 103 HB3 ASN 13 HB3 ASN 13 -5.041 14.956 -2.395 104 HD21 ASN 13 HD21 ASN 13 -5.815 12.114 -4.370 105 HD22 ASN 13 HD22 ASN 13 -6.955 11.442 -3.260 106 H PHE 14 H PHE 14 -2.892 15.030 -5.107 107 HA PHE 14 HA PHE 14 -2.548 17.724 -4.365 108 HB2 PHE 14 HB2 PHE 14 -0.616 16.323 -4.520 109 HB3 PHE 14 HB3 PHE 14 -0.963 15.926 -6.200 110 HD1 PHE 14 HD1 PHE 14 0.042 18.684 -3.946 111 HD2 PHE 14 HD2 PHE 14 -0.124 17.239 -7.946 112 HE1 PHE 14 HE1 PHE 14 1.476 20.546 -4.675 113 HE2 PHE 14 HE2 PHE 14 1.311 19.097 -8.681 114 HZ PHE 14 HZ PHE 14 2.113 20.754 -7.045 115 H LEU 15 H LEU 15 -3.260 16.201 -7.476 116 HA LEU 15 HA LEU 15 -3.085 18.533 -9.049 117 HB2 LEU 15 HB2 LEU 15 -3.901 15.791 -9.384 118 HB3 LEU 15 HB3 LEU 15 -5.008 16.875 -10.224 119 HG LEU 15 HG LEU 15 -2.030 16.647 -10.650 120 HD11 LEU 15 HD11 LEU 15 -4.314 16.062 -12.524 121 HD12 LEU 15 HD12 LEU 15 -3.451 14.838 -11.595 122 HD13 LEU 15 HD13 LEU 15 -2.596 15.787 -12.810 123 HD21 LEU 15 HD21 LEU 15 -2.217 18.818 -11.212 124 HD22 LEU 15 HD22 LEU 15 -3.972 18.738 -11.364 125 HD23 LEU 15 HD23 LEU 15 -2.946 18.176 -12.684 126 H LYS 16 H LYS 16 -5.864 16.936 -7.516 127 HA LYS 16 HA LYS 16 -7.752 18.882 -8.391 128 HB2 LYS 16 HB2 LYS 16 -7.972 16.928 -6.094 129 HB3 LYS 16 HB3 LYS 16 -9.304 17.780 -6.865 130 HG2 LYS 16 HG2 LYS 16 -7.626 16.185 -8.674 131 HG3 LYS 16 HG3 LYS 16 -8.543 15.266 -7.478 132 HD2 LYS 16 HD2 LYS 16 -9.848 17.397 -9.139 133 HD3 LYS 16 HD3 LYS 16 -9.646 15.754 -9.752 134 HE2 LYS 16 HE2 LYS 16 -10.916 16.296 -7.087 135 HE3 LYS 16 HE3 LYS 16 -11.852 16.346 -8.580 136 HZ1 LYS 16 HZ1 LYS 16 -11.213 14.116 -7.078 137 HZ2 LYS 16 HZ2 LYS 16 -10.283 13.994 -8.485 138 HZ3 LYS 16 HZ3 LYS 16 -11.964 14.148 -8.593 139 H LYS 17 H LYS 17 -5.532 18.690 -5.763 140 HA LYS 17 HA LYS 17 -6.882 20.608 -4.094 141 HB2 LYS 17 HB2 LYS 17 -5.417 18.873 -3.137 142 HB3 LYS 17 HB3 LYS 17 -4.041 19.575 -3.977 143 HG2 LYS 17 HG2 LYS 17 -4.803 21.739 -2.663 144 HG3 LYS 17 HG3 LYS 17 -5.493 20.532 -1.575 145 HD2 LYS 17 HD2 LYS 17 -2.650 20.339 -2.514 146 HD3 LYS 17 HD3 LYS 17 -3.091 21.343 -1.131 147 HE2 LYS 17 HE2 LYS 17 -4.065 19.396 -0.025 148 HE3 LYS 17 HE3 LYS 17 -3.650 18.391 -1.413 149 HZ1 LYS 17 HZ1 LYS 17 -1.772 17.989 -0.313 150 HZ2 LYS 17 HZ2 LYS 17 -1.998 19.276 0.760 151 HZ3 LYS 17 HZ3 LYS 17 -1.291 19.550 -0.752 152 H ILE 18 H ILE 18 -4.271 20.646 -6.452 153 HA ILE 18 HA ILE 18 -3.744 23.465 -5.990 154 HB ILE 18 HB ILE 18 -1.975 23.269 -7.597 155 HG12 ILE 18 HG12 ILE 18 -3.110 20.531 -8.206 156 HG13 ILE 18 HG13 ILE 18 -3.117 21.925 -9.281 157 HG21 ILE 18 HG21 ILE 18 -2.156 21.708 -5.272 158 HG22 ILE 18 HG22 ILE 18 -1.363 20.701 -6.481 159 HG23 ILE 18 HG23 ILE 18 -0.695 22.282 -6.076 160 HD11 ILE 18 HD11 ILE 18 -1.117 19.924 -8.934 161 HD12 ILE 18 HD12 ILE 18 -1.190 21.237 -10.110 162 HD13 ILE 18 HD13 ILE 18 -0.442 21.503 -8.535 163 H SER 19 H SER 19 -5.425 21.419 -8.261 164 HA SER 19 HA SER 19 -5.685 23.100 -10.445 165 HB2 SER 19 HB2 SER 19 -6.625 21.091 -10.961 166 HB3 SER 19 HB3 SER 19 -7.237 20.842 -9.326 167 HG SER 19 HG SER 19 -8.390 22.237 -11.471 168 H GLN 20 H GLN 20 -7.313 23.190 -7.355 169 HA GLN 20 HA GLN 20 -9.474 24.831 -7.948 170 HB2 GLN 20 HB2 GLN 20 -7.840 24.926 -5.409 171 HB3 GLN 20 HB3 GLN 20 -9.523 25.400 -5.602 172 HG2 GLN 20 HG2 GLN 20 -8.377 22.626 -5.761 173 HG3 GLN 20 HG3 GLN 20 -9.457 23.276 -4.528 174 HE21 GLN 20 HE21 GLN 20 -9.928 20.940 -6.036 175 HE22 GLN 20 HE22 GLN 20 -11.338 21.203 -6.999 176 H ARG 21 H ARG 21 -6.118 25.674 -7.253 177 HA ARG 21 HA ARG 21 -6.720 28.513 -7.600 178 HB2 ARG 21 HB2 ARG 21 -4.507 28.940 -6.765 179 HB3 ARG 21 HB3 ARG 21 -5.274 27.758 -5.714 180 HG2 ARG 21 HG2 ARG 21 -3.991 25.984 -6.625 181 HG3 ARG 21 HG3 ARG 21 -3.398 27.004 -7.936 182 HD2 ARG 21 HD2 ARG 21 -2.706 28.361 -5.607 183 HD3 ARG 21 HD3 ARG 21 -2.380 26.665 -5.251 184 HE ARG 21 HE ARG 21 -1.319 27.258 -7.770 185 HH11 ARG 21 HH11 ARG 21 0.891 28.344 -4.613 186 HH12 ARG 21 HH12 ARG 21 -0.807 28.058 -4.420 187 HH21 ARG 21 HH21 ARG 21 1.870 28.102 -6.671 188 HH22 ARG 21 HH22 ARG 21 0.915 27.632 -8.037 189 H TYR 22 H TYR 22 -5.148 25.844 -9.195 190 HA TYR 22 HA TYR 22 -4.018 27.586 -11.244 191 HB2 TYR 22 HB2 TYR 22 -3.284 25.085 -10.156 192 HB3 TYR 22 HB3 TYR 22 -3.723 24.787 -11.834 193 HD1 TYR 22 HD1 TYR 22 -1.729 24.487 -12.985 194 HD2 TYR 22 HD2 TYR 22 -2.067 27.735 -10.257 195 HE1 TYR 22 HE1 TYR 22 0.471 25.317 -13.709 196 HE2 TYR 22 HE2 TYR 22 0.130 28.574 -10.975 197 HH TYR 22 HH TYR 22 1.796 27.255 -13.716 198 H GLN 23 H GLN 23 -6.157 28.278 -11.970 199 HA GLN 23 HA GLN 23 -7.226 26.407 -13.960 200 HB2 GLN 23 HB2 GLN 23 -8.594 27.268 -11.612 201 HB3 GLN 23 HB3 GLN 23 -9.379 28.006 -13.002 202 HG2 GLN 23 HG2 GLN 23 -9.151 25.508 -13.919 203 HG3 GLN 23 HG3 GLN 23 -9.223 25.174 -12.190 204 HE21 GLN 23 HE21 GLN 23 -11.098 24.919 -14.622 205 HE22 GLN 23 HE22 GLN 23 -12.599 25.529 -14.024 206 H LYS 24 H LYS 24 -5.672 29.150 -13.554 207 HA LYS 24 HA LYS 24 -6.949 30.415 -15.878 208 HB2 LYS 24 HB2 LYS 24 -6.794 32.585 -14.953 209 HB3 LYS 24 HB3 LYS 24 -7.497 31.586 -13.688 210 HG2 LYS 24 HG2 LYS 24 -5.224 31.377 -12.687 211 HG3 LYS 24 HG3 LYS 24 -4.652 32.545 -13.880 212 HD2 LYS 24 HD2 LYS 24 -6.861 33.791 -12.833 213 HD3 LYS 24 HD3 LYS 24 -6.190 32.959 -11.429 214 HE2 LYS 24 HE2 LYS 24 -3.979 34.054 -12.692 215 HE3 LYS 24 HE3 LYS 24 -5.220 35.297 -12.848 216 HZ1 LYS 24 HZ1 LYS 24 -3.772 35.321 -10.772 217 HZ2 LYS 24 HZ2 LYS 24 -4.676 33.987 -10.257 218 HZ3 LYS 24 HZ3 LYS 24 -5.443 35.466 -10.552 219 H PHE 25 H PHE 25 -4.530 28.686 -15.365 220 HA PHE 25 HA PHE 25 -2.406 30.521 -16.218 221 HB2 PHE 25 HB2 PHE 25 -0.835 28.827 -15.588 222 HB3 PHE 25 HB3 PHE 25 -2.010 28.958 -14.283 223 HD1 PHE 25 HD1 PHE 25 -0.426 26.785 -16.624 224 HD2 PHE 25 HD2 PHE 25 -3.900 27.259 -14.212 225 HE1 PHE 25 HE1 PHE 25 -0.863 24.369 -16.785 226 HE2 PHE 25 HE2 PHE 25 -4.342 24.843 -14.368 227 HZ PHE 25 HZ PHE 25 -2.822 23.395 -15.655 228 H ALA 26 H ALA 26 -4.221 27.684 -17.206 229 HA ALA 26 HA ALA 26 -3.944 28.167 -19.941 230 HB1 ALA 26 HB1 ALA 26 -1.729 27.590 -20.060 231 HB2 ALA 26 HB2 ALA 26 -1.852 26.410 -18.754 232 HB3 ALA 26 HB3 ALA 26 -2.486 26.024 -20.354 233 H LEU 27 H LEU 27 -4.345 25.762 -17.406 234 HA LEU 27 HA LEU 27 -5.765 24.001 -17.160 235 HB2 LEU 27 HB2 LEU 27 -7.293 26.058 -17.626 236 HB3 LEU 27 HB3 LEU 27 -7.591 25.254 -19.166 237 HG LEU 27 HG LEU 27 -8.466 23.300 -17.973 238 HD11 LEU 27 HD11 LEU 27 -8.931 23.520 -15.538 239 HD12 LEU 27 HD12 LEU 27 -7.908 24.956 -15.520 240 HD13 LEU 27 HD13 LEU 27 -7.218 23.387 -15.935 241 HD21 LEU 27 HD21 LEU 27 -10.184 25.126 -16.643 242 HD22 LEU 27 HD22 LEU 27 -10.437 24.294 -18.177 243 HD23 LEU 27 HD23 LEU 27 -9.650 25.873 -18.149 244 HA PRO 28 HA PRO 28 -4.339 22.160 -21.197 245 HB2 PRO 28 HB2 PRO 28 -2.806 20.231 -20.057 246 HB3 PRO 28 HB3 PRO 28 -2.200 21.852 -20.417 247 HG2 PRO 28 HG2 PRO 28 -3.169 20.726 -17.818 248 HG3 PRO 28 HG3 PRO 28 -1.757 21.751 -18.136 249 HD2 PRO 28 HD2 PRO 28 -4.078 22.735 -17.147 250 HD3 PRO 28 HD3 PRO 28 -3.017 23.680 -18.211 251 H GLN 29 H GLN 29 -6.702 21.616 -21.099 252 HA GLN 29 HA GLN 29 -7.021 18.777 -21.022 253 HB2 GLN 29 HB2 GLN 29 -8.780 18.667 -19.348 254 HB3 GLN 29 HB3 GLN 29 -7.303 19.296 -18.630 255 HG2 GLN 29 HG2 GLN 29 -8.473 21.603 -19.310 256 HG3 GLN 29 HG3 GLN 29 -9.908 20.606 -19.074 257 HE21 GLN 29 HE21 GLN 29 -6.780 21.178 -17.489 258 HE22 GLN 29 HE22 GLN 29 -7.417 21.262 -15.885 259 H TYR 30 H TYR 30 -7.253 20.564 -23.087 260 HA TYR 30 HA TYR 30 -9.822 19.966 -24.099 261 HB2 TYR 30 HB2 TYR 30 -10.821 22.148 -24.220 262 HB3 TYR 30 HB3 TYR 30 -10.410 21.835 -22.537 263 HD1 TYR 30 HD1 TYR 30 -9.586 23.810 -25.518 264 HD2 TYR 30 HD2 TYR 30 -8.688 23.112 -21.418 265 HE1 TYR 30 HE1 TYR 30 -8.318 25.916 -25.444 266 HE2 TYR 30 HE2 TYR 30 -7.419 25.217 -21.332 267 HH TYR 30 HH TYR 30 -7.505 27.477 -22.725 268 H LEU 31 H LEU 31 -6.943 21.976 -24.278 269 HA LEU 31 HA LEU 31 -5.615 22.611 -26.010 270 HB2 LEU 31 HB2 LEU 31 -5.604 20.167 -26.393 271 HB3 LEU 31 HB3 LEU 31 -6.984 20.358 -27.473 272 HG LEU 31 HG LEU 31 -4.902 22.084 -28.366 273 HD11 LEU 31 HD11 LEU 31 -4.027 19.222 -28.002 274 HD12 LEU 31 HD12 LEU 31 -3.391 20.605 -27.113 275 HD13 LEU 31 HD13 LEU 31 -3.147 20.491 -28.856 276 HD21 LEU 31 HD21 LEU 31 -5.436 21.197 -30.388 277 HD22 LEU 31 HD22 LEU 31 -6.860 20.674 -29.488 278 HD23 LEU 31 HD23 LEU 31 -5.530 19.549 -29.767 279 H LYS 32 H LYS 32 -6.390 24.618 -26.488 280 HA LYS 32 HA LYS 32 -7.423 26.281 -27.647 281 HB2 LYS 32 HB2 LYS 32 -6.279 24.923 -29.502 282 HB3 LYS 32 HB3 LYS 32 -7.879 24.279 -29.850 283 HG2 LYS 32 HG2 LYS 32 -8.382 26.070 -31.045 284 HG3 LYS 32 HG3 LYS 32 -8.027 27.127 -29.677 285 HD2 LYS 32 HD2 LYS 32 -5.684 27.182 -30.283 286 HD3 LYS 32 HD3 LYS 32 -5.967 26.029 -31.590 287 HE2 LYS 32 HE2 LYS 32 -7.492 28.598 -31.514 288 HE3 LYS 32 HE3 LYS 32 -5.829 28.586 -32.099 289 HZ1 LYS 32 HZ1 LYS 32 -8.228 27.549 -33.336 290 HZ2 LYS 32 HZ2 LYS 32 -6.888 26.522 -33.436 291 HZ3 LYS 32 HZ3 LYS 32 -6.793 28.097 -34.046 Start of MODEL 3 1 H1 THR 2 H THR 2 5.047 -2.168 -0.047 2 HA THR 2 HA THR 2 4.041 -1.763 -2.647 3 HB THR 2 HB THR 2 1.781 -1.109 -0.916 4 HG1 THR 2 HG1 THR 2 2.343 -3.108 0.042 5 HG21 THR 2 HG21 THR 2 1.304 -2.915 -3.140 6 HG22 THR 2 HG22 THR 2 2.278 -1.523 -3.613 7 HG23 THR 2 HG23 THR 2 0.699 -1.281 -2.866 8 H LYS 3 H LYS 3 3.398 0.459 -3.034 9 HA LYS 3 HA LYS 3 3.328 2.464 -1.092 10 HB2 LYS 3 HB2 LYS 3 5.907 1.498 -1.375 11 HB3 LYS 3 HB3 LYS 3 5.897 2.926 -2.401 12 HG2 LYS 3 HG2 LYS 3 5.707 4.348 -0.658 13 HG3 LYS 3 HG3 LYS 3 4.712 3.234 0.285 14 HD2 LYS 3 HD2 LYS 3 6.694 1.896 0.797 15 HD3 LYS 3 HD3 LYS 3 7.690 2.999 -0.156 16 HE2 LYS 3 HE2 LYS 3 6.149 4.478 1.758 17 HE3 LYS 3 HE3 LYS 3 7.026 3.183 2.572 18 HZ1 LYS 3 HZ1 LYS 3 8.021 5.624 1.639 19 HZ2 LYS 3 HZ2 LYS 3 8.750 4.397 0.731 20 HZ3 LYS 3 HZ3 LYS 3 8.863 4.381 2.419 21 H LEU 4 H LEU 4 4.190 1.544 -4.365 22 HA LEU 4 HA LEU 4 4.066 4.007 -5.638 23 HB2 LEU 4 HB2 LEU 4 3.311 2.658 -7.644 24 HB3 LEU 4 HB3 LEU 4 4.836 2.189 -6.896 25 HG LEU 4 HG LEU 4 2.832 0.617 -5.689 26 HD11 LEU 4 HD11 LEU 4 2.594 0.670 -8.694 27 HD12 LEU 4 HD12 LEU 4 1.355 1.167 -7.541 28 HD13 LEU 4 HD13 LEU 4 1.858 -0.522 -7.622 29 HD21 LEU 4 HD21 LEU 4 4.735 -0.223 -7.863 30 HD22 LEU 4 HD22 LEU 4 4.107 -1.191 -6.529 31 HD23 LEU 4 HD23 LEU 4 5.251 0.114 -6.210 32 H THR 5 H THR 5 1.451 1.751 -4.852 33 HA THR 5 HA THR 5 -0.660 2.975 -6.147 34 HB THR 5 HB THR 5 -1.030 1.867 -3.381 35 HG1 THR 5 HG1 THR 5 -0.412 -0.065 -4.015 36 HG21 THR 5 HG21 THR 5 -2.616 1.679 -5.945 37 HG22 THR 5 HG22 THR 5 -3.010 2.665 -4.537 38 HG23 THR 5 HG23 THR 5 -3.055 0.906 -4.423 39 H GLU 6 H GLU 6 0.529 3.616 -2.852 40 HA GLU 6 HA GLU 6 -1.304 5.588 -2.152 41 HB2 GLU 6 HB2 GLU 6 1.478 4.928 -1.289 42 HB3 GLU 6 HB3 GLU 6 0.764 6.441 -0.747 43 HG2 GLU 6 HG2 GLU 6 -0.628 3.810 -0.389 44 HG3 GLU 6 HG3 GLU 6 0.542 4.422 0.779 45 H GLU 7 H GLU 7 2.030 6.125 -3.310 46 HA GLU 7 HA GLU 7 1.896 8.863 -3.630 47 HB2 GLU 7 HB2 GLU 7 3.489 6.723 -4.993 48 HB3 GLU 7 HB3 GLU 7 3.601 8.383 -5.561 49 HG2 GLU 7 HG2 GLU 7 3.905 8.628 -2.837 50 HG3 GLU 7 HG3 GLU 7 4.759 7.133 -3.213 51 H GLU 8 H GLU 8 1.349 6.415 -6.168 52 HA GLU 8 HA GLU 8 0.604 8.132 -8.211 53 HB2 GLU 8 HB2 GLU 8 1.033 5.723 -8.512 54 HB3 GLU 8 HB3 GLU 8 -0.468 5.356 -7.673 55 HG2 GLU 8 HG2 GLU 8 -0.662 5.189 -10.117 56 HG3 GLU 8 HG3 GLU 8 -1.759 6.379 -9.418 57 H LYS 9 H LYS 9 -1.319 6.819 -5.573 58 HA LYS 9 HA LYS 9 -3.819 7.792 -6.554 59 HB2 LYS 9 HB2 LYS 9 -3.734 5.903 -5.018 60 HB3 LYS 9 HB3 LYS 9 -2.985 6.908 -3.785 61 HG2 LYS 9 HG2 LYS 9 -5.414 8.141 -4.617 62 HG3 LYS 9 HG3 LYS 9 -5.729 6.446 -4.240 63 HD2 LYS 9 HD2 LYS 9 -5.132 6.686 -2.035 64 HD3 LYS 9 HD3 LYS 9 -4.053 8.044 -2.364 65 HE2 LYS 9 HE2 LYS 9 -5.686 9.552 -2.087 66 HE3 LYS 9 HE3 LYS 9 -6.852 8.591 -2.994 67 HZ1 LYS 9 HZ1 LYS 9 -6.075 7.772 -0.276 68 HZ2 LYS 9 HZ2 LYS 9 -7.507 7.454 -1.118 69 HZ3 LYS 9 HZ3 LYS 9 -7.222 8.998 -0.487 70 H ASN 10 H ASN 10 -1.239 9.119 -4.649 71 HA ASN 10 HA ASN 10 -2.747 11.278 -3.532 72 HB2 ASN 10 HB2 ASN 10 0.249 11.018 -3.878 73 HB3 ASN 10 HB3 ASN 10 -0.580 12.162 -2.826 74 HD21 ASN 10 HD21 ASN 10 1.371 10.077 -2.200 75 HD22 ASN 10 HD22 ASN 10 0.613 9.056 -1.030 76 H ARG 11 H ARG 11 -0.592 10.903 -6.314 77 HA ARG 11 HA ARG 11 -0.364 13.528 -7.131 78 HB2 ARG 11 HB2 ARG 11 0.752 11.495 -8.139 79 HB3 ARG 11 HB3 ARG 11 -0.743 11.202 -9.016 80 HG2 ARG 11 HG2 ARG 11 -0.096 13.881 -9.500 81 HG3 ARG 11 HG3 ARG 11 1.417 12.982 -9.637 82 HD2 ARG 11 HD2 ARG 11 0.093 11.347 -11.096 83 HD3 ARG 11 HD3 ARG 11 -1.136 12.609 -11.173 84 HE ARG 11 HE ARG 11 1.431 13.618 -11.861 85 HH11 ARG 11 HH11 ARG 11 -0.926 12.143 -14.742 86 HH12 ARG 11 HH12 ARG 11 -1.239 11.748 -13.084 87 HH21 ARG 11 HH21 ARG 11 0.835 13.505 -15.284 88 HH22 ARG 11 HH22 ARG 11 1.854 14.144 -14.040 89 H LEU 12 H LEU 12 -3.022 11.273 -7.658 90 HA LEU 12 HA LEU 12 -4.490 12.869 -9.462 91 HB2 LEU 12 HB2 LEU 12 -5.798 11.006 -7.522 92 HB3 LEU 12 HB3 LEU 12 -6.229 11.351 -9.196 93 HG LEU 12 HG LEU 12 -3.946 9.649 -8.209 94 HD11 LEU 12 HD11 LEU 12 -5.117 7.890 -9.465 95 HD12 LEU 12 HD12 LEU 12 -6.416 9.028 -9.822 96 HD13 LEU 12 HD13 LEU 12 -6.100 8.546 -8.155 97 HD21 LEU 12 HD21 LEU 12 -3.683 9.224 -10.725 98 HD22 LEU 12 HD22 LEU 12 -3.025 10.722 -10.066 99 HD23 LEU 12 HD23 LEU 12 -4.561 10.740 -10.934 100 H ASN 13 H ASN 13 -4.255 12.826 -5.977 101 HA ASN 13 HA ASN 13 -6.521 14.581 -5.608 102 HB2 ASN 13 HB2 ASN 13 -4.474 13.382 -3.755 103 HB3 ASN 13 HB3 ASN 13 -5.594 14.622 -3.201 104 HD21 ASN 13 HD21 ASN 13 -5.966 11.846 -5.374 105 HD22 ASN 13 HD22 ASN 13 -7.264 11.116 -4.497 106 H PHE 14 H PHE 14 -2.995 14.814 -5.490 107 HA PHE 14 HA PHE 14 -2.874 17.504 -4.640 108 HB2 PHE 14 HB2 PHE 14 -0.902 16.211 -4.394 109 HB3 PHE 14 HB3 PHE 14 -0.919 15.722 -6.085 110 HD1 PHE 14 HD1 PHE 14 -0.667 18.780 -3.972 111 HD2 PHE 14 HD2 PHE 14 0.456 16.812 -7.575 112 HE1 PHE 14 HE1 PHE 14 0.838 20.648 -4.519 113 HE2 PHE 14 HE2 PHE 14 1.963 18.676 -8.128 114 HZ PHE 14 HZ PHE 14 2.156 20.597 -6.599 115 H LEU 15 H LEU 15 -2.853 16.013 -7.852 116 HA LEU 15 HA LEU 15 -2.459 18.394 -9.314 117 HB2 LEU 15 HB2 LEU 15 -2.406 15.828 -9.981 118 HB3 LEU 15 HB3 LEU 15 -4.061 16.177 -10.475 119 HG LEU 15 HG LEU 15 -2.712 16.386 -12.406 120 HD11 LEU 15 HD11 LEU 15 -3.081 18.651 -13.067 121 HD12 LEU 15 HD12 LEU 15 -3.112 19.192 -11.389 122 HD13 LEU 15 HD13 LEU 15 -4.407 18.169 -12.010 123 HD21 LEU 15 HD21 LEU 15 -0.871 18.359 -12.099 124 HD22 LEU 15 HD22 LEU 15 -0.519 16.634 -11.995 125 HD23 LEU 15 HD23 LEU 15 -0.797 17.568 -10.524 126 H LYS 16 H LYS 16 -5.388 16.668 -8.322 127 HA LYS 16 HA LYS 16 -7.168 18.491 -9.619 128 HB2 LYS 16 HB2 LYS 16 -7.639 16.416 -7.472 129 HB3 LYS 16 HB3 LYS 16 -8.919 17.327 -8.263 130 HG2 LYS 16 HG2 LYS 16 -7.028 15.879 -10.016 131 HG3 LYS 16 HG3 LYS 16 -8.154 14.908 -9.065 132 HD2 LYS 16 HD2 LYS 16 -9.814 15.396 -10.463 133 HD3 LYS 16 HD3 LYS 16 -9.546 17.125 -10.228 134 HE2 LYS 16 HE2 LYS 16 -9.168 16.961 -12.478 135 HE3 LYS 16 HE3 LYS 16 -7.535 16.694 -11.872 136 HZ1 LYS 16 HZ1 LYS 16 -7.549 14.787 -12.971 137 HZ2 LYS 16 HZ2 LYS 16 -9.182 14.952 -13.379 138 HZ3 LYS 16 HZ3 LYS 16 -8.746 14.215 -11.921 139 H LYS 17 H LYS 17 -5.585 18.363 -6.542 140 HA LYS 17 HA LYS 17 -7.332 20.221 -5.225 141 HB2 LYS 17 HB2 LYS 17 -6.026 18.571 -3.958 142 HB3 LYS 17 HB3 LYS 17 -4.534 19.319 -4.512 143 HG2 LYS 17 HG2 LYS 17 -4.766 21.133 -3.135 144 HG3 LYS 17 HG3 LYS 17 -6.525 20.993 -3.066 145 HD2 LYS 17 HD2 LYS 17 -5.832 18.674 -1.893 146 HD3 LYS 17 HD3 LYS 17 -4.444 19.666 -1.440 147 HE2 LYS 17 HE2 LYS 17 -5.761 21.182 -0.258 148 HE3 LYS 17 HE3 LYS 17 -7.240 20.680 -1.077 149 HZ1 LYS 17 HZ1 LYS 17 -5.992 19.600 1.278 150 HZ2 LYS 17 HZ2 LYS 17 -6.429 18.414 0.154 151 HZ3 LYS 17 HZ3 LYS 17 -7.596 19.481 0.753 152 H ILE 18 H ILE 18 -4.377 20.413 -7.092 153 HA ILE 18 HA ILE 18 -4.065 23.250 -6.508 154 HB ILE 18 HB ILE 18 -2.013 23.152 -7.758 155 HG12 ILE 18 HG12 ILE 18 -2.862 20.347 -8.511 156 HG13 ILE 18 HG13 ILE 18 -2.730 21.725 -9.598 157 HG21 ILE 18 HG21 ILE 18 -0.994 22.258 -6.000 158 HG22 ILE 18 HG22 ILE 18 -2.549 21.619 -5.473 159 HG23 ILE 18 HG23 ILE 18 -1.490 20.637 -6.484 160 HD11 ILE 18 HD11 ILE 18 -0.744 20.778 -10.059 161 HD12 ILE 18 HD12 ILE 18 -0.236 21.680 -8.631 162 HD13 ILE 18 HD13 ILE 18 -0.641 19.970 -8.495 163 H SER 19 H SER 19 -5.168 21.137 -9.054 164 HA SER 19 HA SER 19 -5.102 22.911 -11.216 165 HB2 SER 19 HB2 SER 19 -5.592 20.795 -11.948 166 HB3 SER 19 HB3 SER 19 -6.607 20.431 -10.553 167 HG SER 19 HG SER 19 -7.291 22.092 -12.752 168 H GLN 20 H GLN 20 -7.154 22.795 -8.454 169 HA GLN 20 HA GLN 20 -9.419 24.122 -9.477 170 HB2 GLN 20 HB2 GLN 20 -8.508 23.185 -6.945 171 HB3 GLN 20 HB3 GLN 20 -9.032 24.852 -6.751 172 HG2 GLN 20 HG2 GLN 20 -10.781 23.100 -6.348 173 HG3 GLN 20 HG3 GLN 20 -11.210 24.360 -7.504 174 HE21 GLN 20 HE21 GLN 20 -9.831 21.104 -7.338 175 HE22 GLN 20 HE22 GLN 20 -10.547 20.537 -8.805 176 H ARG 21 H ARG 21 -6.297 25.252 -8.462 177 HA ARG 21 HA ARG 21 -7.202 28.037 -8.764 178 HB2 ARG 21 HB2 ARG 21 -5.532 28.729 -7.287 179 HB3 ARG 21 HB3 ARG 21 -6.099 27.224 -6.578 180 HG2 ARG 21 HG2 ARG 21 -4.196 26.046 -7.577 181 HG3 ARG 21 HG3 ARG 21 -3.621 27.572 -8.252 182 HD2 ARG 21 HD2 ARG 21 -2.432 27.743 -6.363 183 HD3 ARG 21 HD3 ARG 21 -3.962 28.203 -5.616 184 HE ARG 21 HE ARG 21 -3.612 25.377 -5.650 185 HH11 ARG 21 HH11 ARG 21 -2.346 27.484 -2.490 186 HH12 ARG 21 HH12 ARG 21 -2.664 28.288 -3.991 187 HH21 ARG 21 HH21 ARG 21 -2.648 25.220 -2.313 188 HH22 ARG 21 HH22 ARG 21 -3.197 24.308 -3.678 189 H TYR 22 H TYR 22 -4.935 25.620 -9.857 190 HA TYR 22 HA TYR 22 -3.499 27.505 -11.536 191 HB2 TYR 22 HB2 TYR 22 -2.820 25.097 -10.331 192 HB3 TYR 22 HB3 TYR 22 -2.958 24.687 -12.037 193 HD1 TYR 22 HD1 TYR 22 -1.687 27.723 -10.262 194 HD2 TYR 22 HD2 TYR 22 -0.848 24.542 -12.961 195 HE1 TYR 22 HE1 TYR 22 0.552 28.660 -10.662 196 HE2 TYR 22 HE2 TYR 22 1.393 25.470 -13.367 197 HH TYR 22 HH TYR 22 2.954 26.941 -12.543 198 H GLN 23 H GLN 23 -5.849 27.852 -12.457 199 HA GLN 23 HA GLN 23 -6.060 26.168 -14.863 200 HB2 GLN 23 HB2 GLN 23 -8.069 26.800 -12.853 201 HB3 GLN 23 HB3 GLN 23 -8.591 27.241 -14.474 202 HG2 GLN 23 HG2 GLN 23 -7.468 24.702 -14.731 203 HG3 GLN 23 HG3 GLN 23 -8.414 24.649 -13.244 204 HE21 GLN 23 HE21 GLN 23 -8.864 26.319 -16.341 205 HE22 GLN 23 HE22 GLN 23 -10.434 25.671 -16.658 206 H LYS 24 H LYS 24 -5.247 29.121 -13.763 207 HA LYS 24 HA LYS 24 -6.146 30.444 -16.238 208 HB2 LYS 24 HB2 LYS 24 -6.358 32.522 -15.078 209 HB3 LYS 24 HB3 LYS 24 -7.241 31.315 -14.152 210 HG2 LYS 24 HG2 LYS 24 -5.455 31.163 -12.550 211 HG3 LYS 24 HG3 LYS 24 -4.447 32.241 -13.519 212 HD2 LYS 24 HD2 LYS 24 -7.112 33.263 -12.745 213 HD3 LYS 24 HD3 LYS 24 -5.932 33.078 -11.445 214 HE2 LYS 24 HE2 LYS 24 -4.321 34.389 -12.836 215 HE3 LYS 24 HE3 LYS 24 -5.632 34.691 -13.975 216 HZ1 LYS 24 HZ1 LYS 24 -6.522 35.339 -11.398 217 HZ2 LYS 24 HZ2 LYS 24 -6.293 36.371 -12.719 218 HZ3 LYS 24 HZ3 LYS 24 -5.024 36.091 -11.635 219 H PHE 25 H PHE 25 -3.548 29.294 -14.519 220 HA PHE 25 HA PHE 25 -1.601 31.293 -14.980 221 HB2 PHE 25 HB2 PHE 25 -0.000 29.696 -14.293 222 HB3 PHE 25 HB3 PHE 25 -1.456 29.302 -13.385 223 HD1 PHE 25 HD1 PHE 25 -2.963 27.457 -14.335 224 HD2 PHE 25 HD2 PHE 25 1.067 28.073 -15.556 225 HE1 PHE 25 HE1 PHE 25 -2.872 25.150 -15.185 226 HE2 PHE 25 HE2 PHE 25 1.165 25.767 -16.408 227 HZ PHE 25 HZ PHE 25 -0.806 24.302 -16.224 228 H ALA 26 H ALA 26 -2.878 28.696 -16.933 229 HA ALA 26 HA ALA 26 -2.011 29.801 -19.354 230 HB1 ALA 26 HB1 ALA 26 -0.093 28.011 -18.039 231 HB2 ALA 26 HB2 ALA 26 -0.436 27.622 -19.725 232 HB3 ALA 26 HB3 ALA 26 0.158 29.225 -19.294 233 H LEU 27 H LEU 27 -2.828 26.853 -17.602 234 HA LEU 27 HA LEU 27 -4.128 25.058 -18.129 235 HB2 LEU 27 HB2 LEU 27 -5.638 27.223 -18.350 236 HB3 LEU 27 HB3 LEU 27 -5.695 26.714 -20.037 237 HG LEU 27 HG LEU 27 -6.511 24.466 -19.178 238 HD11 LEU 27 HD11 LEU 27 -6.949 26.085 -16.673 239 HD12 LEU 27 HD12 LEU 27 -5.820 24.743 -16.854 240 HD13 LEU 27 HD13 LEU 27 -7.555 24.457 -16.976 241 HD21 LEU 27 HD21 LEU 27 -8.405 25.305 -19.968 242 HD22 LEU 27 HD22 LEU 27 -7.877 26.946 -19.596 243 HD23 LEU 27 HD23 LEU 27 -8.730 25.997 -18.379 244 HA PRO 28 HA PRO 28 -1.922 24.333 -22.136 245 HB2 PRO 28 HB2 PRO 28 -0.748 22.023 -21.329 246 HB3 PRO 28 HB3 PRO 28 -0.040 23.615 -21.033 247 HG2 PRO 28 HG2 PRO 28 -1.628 21.874 -19.186 248 HG3 PRO 28 HG3 PRO 28 -0.160 22.812 -18.853 249 HD2 PRO 28 HD2 PRO 28 -2.630 23.674 -18.154 250 HD3 PRO 28 HD3 PRO 28 -1.325 24.786 -18.614 251 H GLN 29 H GLN 29 -4.021 22.454 -20.092 252 HA GLN 29 HA GLN 29 -4.476 20.290 -21.859 253 HB2 GLN 29 HB2 GLN 29 -6.559 19.957 -20.482 254 HB3 GLN 29 HB3 GLN 29 -5.056 19.998 -19.568 255 HG2 GLN 29 HG2 GLN 29 -6.020 21.496 -18.255 256 HG3 GLN 29 HG3 GLN 29 -5.894 22.634 -19.597 257 HE21 GLN 29 HE21 GLN 29 -7.704 23.494 -20.334 258 HE22 GLN 29 HE22 GLN 29 -9.301 22.913 -20.022 259 H TYR 30 H TYR 30 -6.114 23.385 -21.366 260 HA TYR 30 HA TYR 30 -7.581 24.557 -22.648 261 HB2 TYR 30 HB2 TYR 30 -6.344 22.750 -24.707 262 HB3 TYR 30 HB3 TYR 30 -7.648 23.849 -25.142 263 HD1 TYR 30 HD1 TYR 30 -7.168 26.319 -23.933 264 HD2 TYR 30 HD2 TYR 30 -4.276 23.532 -25.338 265 HE1 TYR 30 HE1 TYR 30 -5.545 28.147 -24.200 266 HE2 TYR 30 HE2 TYR 30 -2.645 25.352 -25.608 267 HH TYR 30 HH TYR 30 -3.496 28.714 -24.827 268 H LEU 31 H LEU 31 -8.010 21.552 -24.447 269 HA LEU 31 HA LEU 31 -10.848 21.625 -23.984 270 HB2 LEU 31 HB2 LEU 31 -9.094 19.637 -25.416 271 HB3 LEU 31 HB3 LEU 31 -10.854 19.553 -25.362 272 HG LEU 31 HG LEU 31 -10.337 20.471 -27.458 273 HD11 LEU 31 HD11 LEU 31 -10.906 22.811 -25.646 274 HD12 LEU 31 HD12 LEU 31 -12.107 21.668 -26.246 275 HD13 LEU 31 HD13 LEU 31 -11.245 22.713 -27.374 276 HD21 LEU 31 HD21 LEU 31 -8.552 21.745 -27.957 277 HD22 LEU 31 HD22 LEU 31 -7.953 21.183 -26.396 278 HD23 LEU 31 HD23 LEU 31 -8.740 22.757 -26.525 279 H LYS 32 H LYS 32 -11.970 19.497 -23.408 280 HA LYS 32 HA LYS 32 -10.632 18.351 -21.046 281 HB2 LYS 32 HB2 LYS 32 -13.608 18.484 -21.531 282 HB3 LYS 32 HB3 LYS 32 -12.785 18.062 -20.035 283 HG2 LYS 32 HG2 LYS 32 -11.896 20.371 -19.927 284 HG3 LYS 32 HG3 LYS 32 -12.856 20.767 -21.354 285 HD2 LYS 32 HD2 LYS 32 -14.899 20.317 -20.181 286 HD3 LYS 32 HD3 LYS 32 -14.016 19.682 -18.791 287 HE2 LYS 32 HE2 LYS 32 -12.915 22.062 -18.800 288 HE3 LYS 32 HE3 LYS 32 -14.367 22.503 -19.698 289 HZ1 LYS 32 HZ1 LYS 32 -14.105 22.274 -16.961 290 HZ2 LYS 32 HZ2 LYS 32 -15.037 20.943 -17.430 291 HZ3 LYS 32 HZ3 LYS 32 -15.536 22.509 -17.832 Start of MODEL 4 1 H1 THR 2 H THR 2 3.934 -1.046 -0.306 2 HA THR 2 HA THR 2 4.575 -1.837 -2.381 3 HB THR 2 HB THR 2 2.185 -0.414 -3.559 4 HG1 THR 2 HG1 THR 2 1.053 -2.274 -3.250 5 HG21 THR 2 HG21 THR 2 2.896 -2.747 -4.979 6 HG22 THR 2 HG22 THR 2 4.390 -1.859 -4.679 7 HG23 THR 2 HG23 THR 2 3.046 -1.071 -5.505 8 H LYS 3 H LYS 3 4.054 1.333 -1.411 9 HA LYS 3 HA LYS 3 4.944 3.352 -1.980 10 HB2 LYS 3 HB2 LYS 3 6.988 1.953 -1.462 11 HB3 LYS 3 HB3 LYS 3 7.175 1.722 -3.196 12 HG2 LYS 3 HG2 LYS 3 8.476 3.532 -3.091 13 HG3 LYS 3 HG3 LYS 3 6.958 4.430 -3.025 14 HD2 LYS 3 HD2 LYS 3 8.243 3.391 -0.524 15 HD3 LYS 3 HD3 LYS 3 8.767 4.914 -1.247 16 HE2 LYS 3 HE2 LYS 3 7.134 5.845 -0.034 17 HE3 LYS 3 HE3 LYS 3 6.043 5.175 -1.245 18 HZ1 LYS 3 HZ1 LYS 3 6.067 4.620 1.453 19 HZ2 LYS 3 HZ2 LYS 3 6.688 3.230 0.717 20 HZ3 LYS 3 HZ3 LYS 3 5.171 3.822 0.260 21 H LEU 4 H LEU 4 3.039 2.552 -3.778 22 HA LEU 4 HA LEU 4 3.857 4.001 -6.130 23 HB2 LEU 4 HB2 LEU 4 4.305 1.349 -6.264 24 HB3 LEU 4 HB3 LEU 4 2.631 1.405 -6.814 25 HG LEU 4 HG LEU 4 3.852 3.369 -8.316 26 HD11 LEU 4 HD11 LEU 4 5.779 2.009 -9.319 27 HD12 LEU 4 HD12 LEU 4 5.767 1.122 -7.796 28 HD13 LEU 4 HD13 LEU 4 6.068 2.859 -7.801 29 HD21 LEU 4 HD21 LEU 4 2.476 2.150 -9.598 30 HD22 LEU 4 HD22 LEU 4 2.792 0.664 -8.702 31 HD23 LEU 4 HD23 LEU 4 3.917 1.196 -9.953 32 H THR 5 H THR 5 1.318 1.740 -5.044 33 HA THR 5 HA THR 5 -0.828 2.854 -6.370 34 HB THR 5 HB THR 5 -1.684 2.060 -3.741 35 HG1 THR 5 HG1 THR 5 -0.044 0.131 -5.031 36 HG21 THR 5 HG21 THR 5 -3.098 1.782 -5.640 37 HG22 THR 5 HG22 THR 5 -2.673 0.166 -5.077 38 HG23 THR 5 HG23 THR 5 -1.872 0.846 -6.494 39 H GLU 6 H GLU 6 0.208 3.583 -3.034 40 HA GLU 6 HA GLU 6 -1.643 5.539 -2.433 41 HB2 GLU 6 HB2 GLU 6 0.991 4.752 -1.441 42 HB3 GLU 6 HB3 GLU 6 0.657 6.463 -1.215 43 HG2 GLU 6 HG2 GLU 6 -1.672 5.144 -0.427 44 HG3 GLU 6 HG3 GLU 6 -0.343 4.195 0.235 45 H GLU 7 H GLU 7 1.637 6.081 -3.730 46 HA GLU 7 HA GLU 7 1.493 8.816 -4.077 47 HB2 GLU 7 HB2 GLU 7 3.028 6.636 -5.411 48 HB3 GLU 7 HB3 GLU 7 3.053 8.233 -6.146 49 HG2 GLU 7 HG2 GLU 7 4.911 7.626 -4.500 50 HG3 GLU 7 HG3 GLU 7 4.126 9.195 -4.330 51 H GLU 8 H GLU 8 0.811 6.342 -6.556 52 HA GLU 8 HA GLU 8 -0.033 8.006 -8.587 53 HB2 GLU 8 HB2 GLU 8 0.306 5.507 -8.696 54 HB3 GLU 8 HB3 GLU 8 -1.281 5.329 -7.960 55 HG2 GLU 8 HG2 GLU 8 -2.072 5.283 -10.032 56 HG3 GLU 8 HG3 GLU 8 -1.774 7.020 -10.063 57 H LYS 9 H LYS 9 -1.741 6.996 -5.715 58 HA LYS 9 HA LYS 9 -4.297 7.981 -6.609 59 HB2 LYS 9 HB2 LYS 9 -4.193 6.110 -5.047 60 HB3 LYS 9 HB3 LYS 9 -3.345 7.110 -3.874 61 HG2 LYS 9 HG2 LYS 9 -5.647 8.540 -4.420 62 HG3 LYS 9 HG3 LYS 9 -6.182 6.858 -4.395 63 HD2 LYS 9 HD2 LYS 9 -5.285 6.540 -2.196 64 HD3 LYS 9 HD3 LYS 9 -4.509 8.125 -2.229 65 HE2 LYS 9 HE2 LYS 9 -6.347 8.781 -1.111 66 HE3 LYS 9 HE3 LYS 9 -7.085 8.808 -2.712 67 HZ1 LYS 9 HZ1 LYS 9 -8.023 7.414 -0.613 68 HZ2 LYS 9 HZ2 LYS 9 -7.134 6.226 -1.427 69 HZ3 LYS 9 HZ3 LYS 9 -8.368 7.059 -2.231 70 H ASN 10 H ASN 10 -1.616 9.159 -4.687 71 HA ASN 10 HA ASN 10 -2.960 11.423 -3.610 72 HB2 ASN 10 HB2 ASN 10 0.015 11.131 -4.051 73 HB3 ASN 10 HB3 ASN 10 -0.798 12.152 -2.868 74 HD21 ASN 10 HD21 ASN 10 1.212 10.084 -2.479 75 HD22 ASN 10 HD22 ASN 10 0.511 8.930 -1.401 76 H ARG 11 H ARG 11 -0.907 10.907 -6.446 77 HA ARG 11 HA ARG 11 -0.554 13.504 -7.299 78 HB2 ARG 11 HB2 ARG 11 0.398 11.390 -8.320 79 HB3 ARG 11 HB3 ARG 11 -1.138 11.198 -9.154 80 HG2 ARG 11 HG2 ARG 11 -0.571 13.714 -9.868 81 HG3 ARG 11 HG3 ARG 11 1.067 13.092 -9.649 82 HD2 ARG 11 HD2 ARG 11 -0.979 11.602 -11.260 83 HD3 ARG 11 HD3 ARG 11 -0.007 12.889 -11.972 84 HE ARG 11 HE ARG 11 1.697 11.081 -10.672 85 HH11 ARG 11 HH11 ARG 11 0.495 10.091 -14.360 86 HH12 ARG 11 HH12 ARG 11 -0.405 11.252 -13.442 87 HH21 ARG 11 HH21 ARG 11 2.369 9.123 -13.465 88 HH22 ARG 11 HH22 ARG 11 2.890 9.550 -11.871 89 H LEU 12 H LEU 12 -3.411 11.505 -7.472 90 HA LEU 12 HA LEU 12 -4.823 13.207 -9.297 91 HB2 LEU 12 HB2 LEU 12 -6.205 11.329 -7.438 92 HB3 LEU 12 HB3 LEU 12 -6.585 11.731 -9.111 93 HG LEU 12 HG LEU 12 -4.363 9.934 -8.145 94 HD11 LEU 12 HD11 LEU 12 -6.366 8.732 -8.017 95 HD12 LEU 12 HD12 LEU 12 -5.685 8.292 -9.583 96 HD13 LEU 12 HD13 LEU 12 -7.003 9.461 -9.492 97 HD21 LEU 12 HD21 LEU 12 -3.334 10.607 -10.022 98 HD22 LEU 12 HD22 LEU 12 -4.801 11.319 -10.693 99 HD23 LEU 12 HD23 LEU 12 -4.519 9.584 -10.835 100 H ASN 13 H ASN 13 -4.598 12.871 -5.808 101 HA ASN 13 HA ASN 13 -6.750 14.689 -5.261 102 HB2 ASN 13 HB2 ASN 13 -4.630 13.381 -3.570 103 HB3 ASN 13 HB3 ASN 13 -5.703 14.608 -2.903 104 HD21 ASN 13 HD21 ASN 13 -6.211 11.929 -5.170 105 HD22 ASN 13 HD22 ASN 13 -7.479 11.180 -4.267 106 H PHE 14 H PHE 14 -3.269 14.903 -5.590 107 HA PHE 14 HA PHE 14 -3.052 17.553 -4.539 108 HB2 PHE 14 HB2 PHE 14 -1.086 16.231 -4.436 109 HB3 PHE 14 HB3 PHE 14 -1.195 15.800 -6.140 110 HD1 PHE 14 HD1 PHE 14 -0.165 17.110 -7.788 111 HD2 PHE 14 HD2 PHE 14 -0.519 18.597 -3.816 112 HE1 PHE 14 HE1 PHE 14 1.332 18.978 -8.358 113 HE2 PHE 14 HE2 PHE 14 0.977 20.467 -4.379 114 HZ PHE 14 HZ PHE 14 1.904 20.660 -6.652 115 H LEU 15 H LEU 15 -3.426 16.152 -7.745 116 HA LEU 15 HA LEU 15 -2.971 18.524 -9.216 117 HB2 LEU 15 HB2 LEU 15 -3.846 15.815 -9.736 118 HB3 LEU 15 HB3 LEU 15 -4.743 16.982 -10.705 119 HG LEU 15 HG LEU 15 -1.751 16.600 -10.662 120 HD11 LEU 15 HD11 LEU 15 -1.973 15.718 -12.838 121 HD12 LEU 15 HD12 LEU 15 -3.666 16.198 -12.943 122 HD13 LEU 15 HD13 LEU 15 -3.186 14.896 -11.855 123 HD21 LEU 15 HD21 LEU 15 -3.500 18.665 -11.951 124 HD22 LEU 15 HD22 LEU 15 -1.946 18.215 -12.653 125 HD23 LEU 15 HD23 LEU 15 -2.017 18.887 -11.023 126 H LYS 16 H LYS 16 -5.949 16.961 -8.073 127 HA LYS 16 HA LYS 16 -7.668 18.987 -9.118 128 HB2 LYS 16 HB2 LYS 16 -9.418 17.877 -7.783 129 HB3 LYS 16 HB3 LYS 16 -8.499 16.732 -8.750 130 HG2 LYS 16 HG2 LYS 16 -8.178 15.542 -6.913 131 HG3 LYS 16 HG3 LYS 16 -7.173 16.855 -6.295 132 HD2 LYS 16 HD2 LYS 16 -10.084 17.232 -6.013 133 HD3 LYS 16 HD3 LYS 16 -9.385 15.929 -5.049 134 HE2 LYS 16 HE2 LYS 16 -7.653 17.617 -4.287 135 HE3 LYS 16 HE3 LYS 16 -8.674 18.852 -5.022 136 HZ1 LYS 16 HZ1 LYS 16 -10.092 17.058 -3.275 137 HZ2 LYS 16 HZ2 LYS 16 -10.125 18.747 -3.348 138 HZ3 LYS 16 HZ3 LYS 16 -8.899 17.961 -2.486 139 H LYS 17 H LYS 17 -5.880 18.566 -6.180 140 HA LYS 17 HA LYS 17 -7.368 20.453 -4.624 141 HB2 LYS 17 HB2 LYS 17 -6.117 18.753 -3.473 142 HB3 LYS 17 HB3 LYS 17 -4.626 19.237 -4.270 143 HG2 LYS 17 HG2 LYS 17 -4.468 21.214 -3.015 144 HG3 LYS 17 HG3 LYS 17 -6.142 21.096 -2.468 145 HD2 LYS 17 HD2 LYS 17 -4.993 18.724 -1.618 146 HD3 LYS 17 HD3 LYS 17 -3.730 19.927 -1.347 147 HE2 LYS 17 HE2 LYS 17 -5.043 19.815 0.636 148 HE3 LYS 17 HE3 LYS 17 -5.445 21.328 -0.174 149 HZ1 LYS 17 HZ1 LYS 17 -7.206 19.448 -1.161 150 HZ2 LYS 17 HZ2 LYS 17 -7.552 20.699 -0.077 151 HZ3 LYS 17 HZ3 LYS 17 -7.143 19.165 0.506 152 H ILE 18 H ILE 18 -4.624 20.601 -6.783 153 HA ILE 18 HA ILE 18 -4.119 23.394 -6.093 154 HB ILE 18 HB ILE 18 -2.161 23.261 -7.475 155 HG12 ILE 18 HG12 ILE 18 -3.173 20.530 -8.296 156 HG13 ILE 18 HG13 ILE 18 -3.079 21.956 -9.324 157 HG21 ILE 18 HG21 ILE 18 -2.642 21.558 -5.263 158 HG22 ILE 18 HG22 ILE 18 -1.597 20.696 -6.391 159 HG23 ILE 18 HG23 ILE 18 -1.118 22.279 -5.781 160 HD11 ILE 18 HD11 ILE 18 -1.071 21.281 -9.950 161 HD12 ILE 18 HD12 ILE 18 -0.504 21.585 -8.307 162 HD13 ILE 18 HD13 ILE 18 -1.084 19.982 -8.758 163 H SER 19 H SER 19 -5.441 21.418 -8.657 164 HA SER 19 HA SER 19 -5.459 23.254 -10.751 165 HB2 SER 19 HB2 SER 19 -6.128 21.204 -11.514 166 HB3 SER 19 HB3 SER 19 -7.033 20.834 -10.047 167 HG SER 19 HG SER 19 -8.537 21.179 -11.613 168 H GLN 20 H GLN 20 -7.391 23.097 -7.881 169 HA GLN 20 HA GLN 20 -9.619 24.589 -8.686 170 HB2 GLN 20 HB2 GLN 20 -8.601 23.522 -6.268 171 HB3 GLN 20 HB3 GLN 20 -8.934 25.224 -5.976 172 HG2 GLN 20 HG2 GLN 20 -10.816 23.674 -5.455 173 HG3 GLN 20 HG3 GLN 20 -11.211 24.973 -6.580 174 HE21 GLN 20 HE21 GLN 20 -9.805 21.717 -6.795 175 HE22 GLN 20 HE22 GLN 20 -10.821 21.180 -8.085 176 H ARG 21 H ARG 21 -6.428 25.585 -7.593 177 HA ARG 21 HA ARG 21 -7.201 28.401 -7.849 178 HB2 ARG 21 HB2 ARG 21 -5.325 28.955 -6.546 179 HB3 ARG 21 HB3 ARG 21 -5.961 27.494 -5.802 180 HG2 ARG 21 HG2 ARG 21 -4.261 26.164 -6.928 181 HG3 ARG 21 HG3 ARG 21 -3.632 27.617 -7.707 182 HD2 ARG 21 HD2 ARG 21 -2.287 27.871 -5.955 183 HD3 ARG 21 HD3 ARG 21 -3.719 28.237 -4.994 184 HE ARG 21 HE ARG 21 -3.463 25.465 -5.117 185 HH11 ARG 21 HH11 ARG 21 -1.057 27.313 -2.505 186 HH12 ARG 21 HH12 ARG 21 -1.748 28.204 -3.821 187 HH21 ARG 21 HH21 ARG 21 -1.518 25.083 -2.261 188 HH22 ARG 21 HH22 ARG 21 -2.559 24.282 -3.389 189 H TYR 22 H TYR 22 -5.157 25.939 -9.245 190 HA TYR 22 HA TYR 22 -3.818 27.839 -10.990 191 HB2 TYR 22 HB2 TYR 22 -3.169 25.304 -9.955 192 HB3 TYR 22 HB3 TYR 22 -3.352 25.081 -11.691 193 HD1 TYR 22 HD1 TYR 22 -1.232 24.935 -12.608 194 HD2 TYR 22 HD2 TYR 22 -2.009 27.940 -9.698 195 HE1 TYR 22 HE1 TYR 22 1.021 25.856 -12.967 196 HE2 TYR 22 HE2 TYR 22 0.241 28.870 -10.050 197 HH TYR 22 HH TYR 22 2.638 27.223 -11.925 198 H GLN 23 H GLN 23 -5.888 28.508 -11.968 199 HA GLN 23 HA GLN 23 -6.513 26.791 -14.261 200 HB2 GLN 23 HB2 GLN 23 -8.878 27.168 -14.041 201 HB3 GLN 23 HB3 GLN 23 -8.277 26.515 -12.523 202 HG2 GLN 23 HG2 GLN 23 -9.028 28.265 -11.402 203 HG3 GLN 23 HG3 GLN 23 -8.177 29.380 -12.470 204 HE21 GLN 23 HE21 GLN 23 -9.344 29.257 -14.798 205 HE22 GLN 23 HE22 GLN 23 -11.032 29.614 -14.712 206 H LYS 24 H LYS 24 -5.205 29.545 -13.381 207 HA LYS 24 HA LYS 24 -6.222 30.988 -15.733 208 HB2 LYS 24 HB2 LYS 24 -6.258 33.057 -14.595 209 HB3 LYS 24 HB3 LYS 24 -7.061 31.921 -13.519 210 HG2 LYS 24 HG2 LYS 24 -4.976 31.696 -12.234 211 HG3 LYS 24 HG3 LYS 24 -4.218 32.891 -13.291 212 HD2 LYS 24 HD2 LYS 24 -6.737 33.463 -11.749 213 HD3 LYS 24 HD3 LYS 24 -5.130 33.737 -11.072 214 HE2 LYS 24 HE2 LYS 24 -4.617 35.372 -12.683 215 HE3 LYS 24 HE3 LYS 24 -5.963 34.893 -13.717 216 HZ1 LYS 24 HZ1 LYS 24 -6.908 35.657 -11.161 217 HZ2 LYS 24 HZ2 LYS 24 -7.283 36.313 -12.674 218 HZ3 LYS 24 HZ3 LYS 24 -5.949 36.891 -11.809 219 H PHE 25 H PHE 25 -3.777 29.301 -14.912 220 HA PHE 25 HA PHE 25 -1.650 31.250 -15.385 221 HB2 PHE 25 HB2 PHE 25 -0.111 29.557 -14.703 222 HB3 PHE 25 HB3 PHE 25 -1.460 29.498 -13.574 223 HD1 PHE 25 HD1 PHE 25 0.523 27.670 -15.919 224 HD2 PHE 25 HD2 PHE 25 -3.232 27.724 -13.915 225 HE1 PHE 25 HE1 PHE 25 0.238 25.273 -16.395 226 HE2 PHE 25 HE2 PHE 25 -3.522 25.327 -14.388 227 HZ PHE 25 HZ PHE 25 -1.786 24.098 -15.629 228 H ALA 26 H ALA 26 -3.318 28.594 -16.910 229 HA ALA 26 HA ALA 26 -2.572 29.337 -19.505 230 HB1 ALA 26 HB1 ALA 26 -1.190 27.188 -19.958 231 HB2 ALA 26 HB2 ALA 26 -0.395 28.597 -19.255 232 HB3 ALA 26 HB3 ALA 26 -0.863 27.244 -18.226 233 H LEU 27 H LEU 27 -3.570 26.760 -17.335 234 HA LEU 27 HA LEU 27 -5.061 25.047 -17.552 235 HB2 LEU 27 HB2 LEU 27 -6.252 27.446 -18.727 236 HB3 LEU 27 HB3 LEU 27 -6.993 25.942 -19.271 237 HG LEU 27 HG LEU 27 -6.704 26.788 -16.389 238 HD11 LEU 27 HD11 LEU 27 -8.288 28.121 -17.899 239 HD12 LEU 27 HD12 LEU 27 -8.941 27.444 -16.407 240 HD13 LEU 27 HD13 LEU 27 -9.260 26.650 -17.949 241 HD21 LEU 27 HD21 LEU 27 -7.557 24.802 -15.780 242 HD22 LEU 27 HD22 LEU 27 -6.946 24.260 -17.344 243 HD23 LEU 27 HD23 LEU 27 -8.640 24.724 -17.171 244 HA PRO 28 HA PRO 28 -3.306 23.646 -21.604 245 HB2 PRO 28 HB2 PRO 28 -2.302 21.323 -20.621 246 HB3 PRO 28 HB3 PRO 28 -1.414 22.851 -20.571 247 HG2 PRO 28 HG2 PRO 28 -2.997 21.510 -18.413 248 HG3 PRO 28 HG3 PRO 28 -1.419 22.311 -18.309 249 HD2 PRO 28 HD2 PRO 28 -3.717 23.512 -17.528 250 HD3 PRO 28 HD3 PRO 28 -2.353 24.416 -18.217 251 H GLN 29 H GLN 29 -5.629 22.571 -19.368 252 HA GLN 29 HA GLN 29 -6.415 20.232 -20.896 253 HB2 GLN 29 HB2 GLN 29 -8.193 20.011 -19.185 254 HB3 GLN 29 HB3 GLN 29 -6.580 20.088 -18.488 255 HG2 GLN 29 HG2 GLN 29 -7.360 21.660 -17.139 256 HG3 GLN 29 HG3 GLN 29 -7.406 22.725 -18.543 257 HE21 GLN 29 HE21 GLN 29 -9.262 23.705 -18.834 258 HE22 GLN 29 HE22 GLN 29 -10.819 23.107 -18.381 259 H TYR 30 H TYR 30 -6.549 22.270 -22.596 260 HA TYR 30 HA TYR 30 -9.281 23.303 -22.617 261 HB2 TYR 30 HB2 TYR 30 -6.723 24.105 -23.813 262 HB3 TYR 30 HB3 TYR 30 -8.097 24.251 -24.904 263 HD1 TYR 30 HD1 TYR 30 -10.279 25.219 -23.452 264 HD2 TYR 30 HD2 TYR 30 -6.165 26.102 -22.821 265 HE1 TYR 30 HE1 TYR 30 -10.905 27.345 -22.385 266 HE2 TYR 30 HE2 TYR 30 -6.779 28.230 -21.751 267 HH TYR 30 HH TYR 30 -8.542 29.363 -20.784 268 H LEU 31 H LEU 31 -7.211 22.157 -25.270 269 HA LEU 31 HA LEU 31 -9.455 20.473 -26.175 270 HB2 LEU 31 HB2 LEU 31 -8.312 20.888 -28.488 271 HB3 LEU 31 HB3 LEU 31 -9.438 22.064 -27.814 272 HG LEU 31 HG LEU 31 -7.554 23.441 -27.073 273 HD11 LEU 31 HD11 LEU 31 -6.034 21.067 -27.917 274 HD12 LEU 31 HD12 LEU 31 -5.673 22.271 -26.680 275 HD13 LEU 31 HD13 LEU 31 -5.339 22.622 -28.375 276 HD21 LEU 31 HD21 LEU 31 -8.457 23.059 -29.681 277 HD22 LEU 31 HD22 LEU 31 -6.701 23.163 -29.816 278 HD23 LEU 31 HD23 LEU 31 -7.607 24.467 -29.044 279 H LYS 32 H LYS 32 -8.784 18.652 -27.585 280 HA LYS 32 HA LYS 32 -6.182 17.572 -26.716 281 HB2 LYS 32 HB2 LYS 32 -8.497 16.496 -26.018 282 HB3 LYS 32 HB3 LYS 32 -8.393 15.780 -27.621 283 HG2 LYS 32 HG2 LYS 32 -6.091 14.962 -26.954 284 HG3 LYS 32 HG3 LYS 32 -6.514 15.432 -25.306 285 HD2 LYS 32 HD2 LYS 32 -8.708 13.992 -26.072 286 HD3 LYS 32 HD3 LYS 32 -7.402 13.141 -26.901 287 HE2 LYS 32 HE2 LYS 32 -7.469 12.065 -24.855 288 HE3 LYS 32 HE3 LYS 32 -6.206 13.269 -24.602 289 HZ1 LYS 32 HZ1 LYS 32 -7.371 14.143 -22.954 290 HZ2 LYS 32 HZ2 LYS 32 -8.516 12.909 -23.115 291 HZ3 LYS 32 HZ3 LYS 32 -8.722 14.368 -23.947 Start of MODEL 5 1 H1 THR 2 H THR 2 4.031 -1.501 -1.542 2 HA THR 2 HA THR 2 4.234 -2.079 -3.764 3 HB THR 2 HB THR 2 1.734 -0.474 -4.315 4 HG1 THR 2 HG1 THR 2 0.608 -2.140 -3.633 5 HG21 THR 2 HG21 THR 2 1.655 -2.218 -6.223 6 HG22 THR 2 HG22 THR 2 3.367 -2.453 -5.869 7 HG23 THR 2 HG23 THR 2 2.778 -0.866 -6.363 8 H LYS 3 H LYS 3 4.073 0.997 -2.436 9 HA LYS 3 HA LYS 3 4.935 3.032 -2.991 10 HB2 LYS 3 HB2 LYS 3 6.967 1.525 -3.019 11 HB3 LYS 3 HB3 LYS 3 6.798 1.456 -4.769 12 HG2 LYS 3 HG2 LYS 3 7.846 3.392 -5.009 13 HG3 LYS 3 HG3 LYS 3 6.759 4.185 -3.867 14 HD2 LYS 3 HD2 LYS 3 9.043 2.448 -2.967 15 HD3 LYS 3 HD3 LYS 3 9.240 4.173 -3.287 16 HE2 LYS 3 HE2 LYS 3 6.931 3.675 -1.626 17 HE3 LYS 3 HE3 LYS 3 8.387 2.980 -0.914 18 HZ1 LYS 3 HZ1 LYS 3 7.899 5.805 -1.660 19 HZ2 LYS 3 HZ2 LYS 3 9.445 5.209 -1.319 20 HZ3 LYS 3 HZ3 LYS 3 8.245 5.177 -0.127 21 H LEU 4 H LEU 4 2.676 2.469 -4.434 22 HA LEU 4 HA LEU 4 3.086 4.113 -6.764 23 HB2 LEU 4 HB2 LEU 4 3.524 1.659 -7.407 24 HB3 LEU 4 HB3 LEU 4 1.783 1.453 -7.228 25 HG LEU 4 HG LEU 4 1.499 3.264 -8.953 26 HD11 LEU 4 HD11 LEU 4 3.569 3.466 -10.460 27 HD12 LEU 4 HD12 LEU 4 4.477 2.947 -9.040 28 HD13 LEU 4 HD13 LEU 4 3.516 4.424 -8.980 29 HD21 LEU 4 HD21 LEU 4 1.094 1.113 -9.730 30 HD22 LEU 4 HD22 LEU 4 2.776 0.618 -9.536 31 HD23 LEU 4 HD23 LEU 4 2.324 1.714 -10.843 32 H THR 5 H THR 5 0.776 1.929 -5.163 33 HA THR 5 HA THR 5 -1.575 3.158 -6.002 34 HB THR 5 HB THR 5 -1.509 2.103 -3.223 35 HG1 THR 5 HG1 THR 5 -0.438 0.386 -3.829 36 HG21 THR 5 HG21 THR 5 -3.382 2.406 -5.391 37 HG22 THR 5 HG22 THR 5 -3.686 2.015 -3.698 38 HG23 THR 5 HG23 THR 5 -3.330 0.729 -4.850 39 H GLU 6 H GLU 6 0.220 3.687 -2.965 40 HA GLU 6 HA GLU 6 -1.395 5.696 -1.921 41 HB2 GLU 6 HB2 GLU 6 1.185 4.566 -1.357 42 HB3 GLU 6 HB3 GLU 6 1.267 6.316 -1.203 43 HG2 GLU 6 HG2 GLU 6 -0.588 4.444 0.244 44 HG3 GLU 6 HG3 GLU 6 0.736 5.385 0.928 45 H GLU 7 H GLU 7 1.732 6.187 -3.575 46 HA GLU 7 HA GLU 7 1.635 8.925 -3.820 47 HB2 GLU 7 HB2 GLU 7 2.868 6.800 -5.548 48 HB3 GLU 7 HB3 GLU 7 2.998 8.498 -5.984 49 HG2 GLU 7 HG2 GLU 7 3.704 8.258 -3.255 50 HG3 GLU 7 HG3 GLU 7 4.563 7.005 -4.149 51 H GLU 8 H GLU 8 0.570 6.572 -6.282 52 HA GLU 8 HA GLU 8 -0.441 8.363 -8.133 53 HB2 GLU 8 HB2 GLU 8 -0.226 6.042 -8.700 54 HB3 GLU 8 HB3 GLU 8 -1.350 5.571 -7.432 55 HG2 GLU 8 HG2 GLU 8 -3.194 6.487 -8.601 56 HG3 GLU 8 HG3 GLU 8 -2.141 7.293 -9.762 57 H LYS 9 H LYS 9 -2.023 6.960 -5.299 58 HA LYS 9 HA LYS 9 -4.576 8.092 -5.796 59 HB2 LYS 9 HB2 LYS 9 -4.469 6.218 -4.335 60 HB3 LYS 9 HB3 LYS 9 -3.267 6.993 -3.312 61 HG2 LYS 9 HG2 LYS 9 -5.811 8.439 -3.551 62 HG3 LYS 9 HG3 LYS 9 -5.907 6.868 -2.751 63 HD2 LYS 9 HD2 LYS 9 -4.593 7.530 -0.995 64 HD3 LYS 9 HD3 LYS 9 -3.717 8.721 -1.959 65 HE2 LYS 9 HE2 LYS 9 -5.476 10.278 -1.821 66 HE3 LYS 9 HE3 LYS 9 -6.620 9.058 -1.264 67 HZ1 LYS 9 HZ1 LYS 9 -4.775 10.653 0.244 68 HZ2 LYS 9 HZ2 LYS 9 -4.666 9.008 0.620 69 HZ3 LYS 9 HZ3 LYS 9 -6.148 9.811 0.763 70 H ASN 10 H ASN 10 -1.648 9.343 -4.488 71 HA ASN 10 HA ASN 10 -2.912 11.553 -3.115 72 HB2 ASN 10 HB2 ASN 10 0.017 11.145 -3.753 73 HB3 ASN 10 HB3 ASN 10 -0.658 12.271 -2.580 74 HD21 ASN 10 HD21 ASN 10 1.247 10.046 -2.277 75 HD22 ASN 10 HD22 ASN 10 0.568 9.019 -1.064 76 H ARG 11 H ARG 11 -0.725 11.222 -5.913 77 HA ARG 11 HA ARG 11 -0.676 13.842 -6.752 78 HB2 ARG 11 HB2 ARG 11 0.469 11.663 -7.693 79 HB3 ARG 11 HB3 ARG 11 -0.893 11.680 -8.805 80 HG2 ARG 11 HG2 ARG 11 0.518 14.241 -8.514 81 HG3 ARG 11 HG3 ARG 11 1.451 12.935 -9.249 82 HD2 ARG 11 HD2 ARG 11 -0.398 12.572 -10.851 83 HD3 ARG 11 HD3 ARG 11 -1.241 13.953 -10.150 84 HE ARG 11 HE ARG 11 1.133 15.011 -10.841 85 HH11 ARG 11 HH11 ARG 11 -0.775 13.740 -14.123 86 HH12 ARG 11 HH12 ARG 11 -1.166 13.059 -12.579 87 HH21 ARG 11 HH21 ARG 11 0.832 15.365 -14.286 88 HH22 ARG 11 HH22 ARG 11 1.657 15.916 -12.868 89 H LEU 12 H LEU 12 -3.190 11.440 -7.208 90 HA LEU 12 HA LEU 12 -4.701 12.787 -9.159 91 HB2 LEU 12 HB2 LEU 12 -5.121 10.581 -7.263 92 HB3 LEU 12 HB3 LEU 12 -6.585 11.438 -7.743 93 HG LEU 12 HG LEU 12 -6.259 10.867 -10.035 94 HD11 LEU 12 HD11 LEU 12 -4.144 10.855 -10.753 95 HD12 LEU 12 HD12 LEU 12 -4.126 9.168 -10.243 96 HD13 LEU 12 HD13 LEU 12 -3.508 10.420 -9.167 97 HD21 LEU 12 HD21 LEU 12 -7.081 8.827 -9.720 98 HD22 LEU 12 HD22 LEU 12 -6.648 8.980 -8.017 99 HD23 LEU 12 HD23 LEU 12 -5.525 8.225 -9.149 100 H ASN 13 H ASN 13 -4.918 12.811 -5.612 101 HA ASN 13 HA ASN 13 -7.070 14.689 -5.555 102 HB2 ASN 13 HB2 ASN 13 -5.201 13.586 -3.467 103 HB3 ASN 13 HB3 ASN 13 -6.352 14.864 -3.083 104 HD21 ASN 13 HD21 ASN 13 -6.595 11.992 -5.144 105 HD22 ASN 13 HD22 ASN 13 -7.960 11.314 -4.331 106 H PHE 14 H PHE 14 -3.563 14.898 -5.229 107 HA PHE 14 HA PHE 14 -3.442 17.612 -4.470 108 HB2 PHE 14 HB2 PHE 14 -1.494 16.323 -4.102 109 HB3 PHE 14 HB3 PHE 14 -1.460 15.752 -5.767 110 HD1 PHE 14 HD1 PHE 14 -1.254 18.918 -3.812 111 HD2 PHE 14 HD2 PHE 14 -0.001 16.738 -7.246 112 HE1 PHE 14 HE1 PHE 14 0.295 20.738 -4.399 113 HE2 PHE 14 HE2 PHE 14 1.550 18.553 -7.838 114 HZ PHE 14 HZ PHE 14 1.700 20.556 -6.413 115 H LEU 15 H LEU 15 -3.384 16.017 -7.623 116 HA LEU 15 HA LEU 15 -2.904 18.372 -9.132 117 HB2 LEU 15 HB2 LEU 15 -2.653 15.880 -9.791 118 HB3 LEU 15 HB3 LEU 15 -4.364 15.987 -10.203 119 HG LEU 15 HG LEU 15 -3.870 17.721 -11.846 120 HD11 LEU 15 HD11 LEU 15 -2.049 18.926 -11.146 121 HD12 LEU 15 HD12 LEU 15 -1.315 17.908 -12.384 122 HD13 LEU 15 HD13 LEU 15 -1.138 17.490 -10.680 123 HD21 LEU 15 HD21 LEU 15 -3.871 15.699 -12.916 124 HD22 LEU 15 HD22 LEU 15 -2.523 15.070 -11.968 125 HD23 LEU 15 HD23 LEU 15 -2.226 16.232 -13.262 126 H LYS 16 H LYS 16 -5.844 16.621 -8.227 127 HA LYS 16 HA LYS 16 -7.595 18.362 -9.668 128 HB2 LYS 16 HB2 LYS 16 -8.176 16.408 -7.434 129 HB3 LYS 16 HB3 LYS 16 -9.392 17.201 -8.428 130 HG2 LYS 16 HG2 LYS 16 -7.345 15.775 -9.955 131 HG3 LYS 16 HG3 LYS 16 -8.327 14.745 -8.910 132 HD2 LYS 16 HD2 LYS 16 -9.731 16.781 -10.554 133 HD3 LYS 16 HD3 LYS 16 -9.066 15.374 -11.387 134 HE2 LYS 16 HE2 LYS 16 -10.708 15.011 -8.915 135 HE3 LYS 16 HE3 LYS 16 -11.502 15.313 -10.460 136 HZ1 LYS 16 HZ1 LYS 16 -9.483 13.301 -10.656 137 HZ2 LYS 16 HZ2 LYS 16 -11.108 13.242 -11.120 138 HZ3 LYS 16 HZ3 LYS 16 -10.671 12.889 -9.524 139 H LYS 17 H LYS 17 -6.080 18.445 -6.578 140 HA LYS 17 HA LYS 17 -7.942 20.295 -5.390 141 HB2 LYS 17 HB2 LYS 17 -6.757 18.804 -3.922 142 HB3 LYS 17 HB3 LYS 17 -5.203 19.337 -4.552 143 HG2 LYS 17 HG2 LYS 17 -5.230 21.287 -3.363 144 HG3 LYS 17 HG3 LYS 17 -6.993 21.358 -3.308 145 HD2 LYS 17 HD2 LYS 17 -6.897 19.347 -1.775 146 HD3 LYS 17 HD3 LYS 17 -5.154 19.613 -1.682 147 HE2 LYS 17 HE2 LYS 17 -6.055 20.708 0.196 148 HE3 LYS 17 HE3 LYS 17 -5.706 21.986 -0.967 149 HZ1 LYS 17 HZ1 LYS 17 -8.265 21.034 0.030 150 HZ2 LYS 17 HZ2 LYS 17 -8.215 21.426 -1.615 151 HZ3 LYS 17 HZ3 LYS 17 -7.801 22.587 -0.456 152 H ILE 18 H ILE 18 -4.886 20.462 -7.101 153 HA ILE 18 HA ILE 18 -4.661 23.328 -6.637 154 HB ILE 18 HB ILE 18 -2.548 23.212 -7.791 155 HG12 ILE 18 HG12 ILE 18 -3.314 20.354 -8.419 156 HG13 ILE 18 HG13 ILE 18 -3.133 21.668 -9.576 157 HG21 ILE 18 HG21 ILE 18 -3.163 21.822 -5.442 158 HG22 ILE 18 HG22 ILE 18 -2.057 20.783 -6.339 159 HG23 ILE 18 HG23 ILE 18 -1.588 22.436 -5.944 160 HD11 ILE 18 HD11 ILE 18 -0.701 21.607 -8.283 161 HD12 ILE 18 HD12 ILE 18 -1.141 19.905 -8.439 162 HD13 ILE 18 HD13 ILE 18 -1.064 20.931 -9.871 163 H SER 19 H SER 19 -5.585 21.083 -9.144 164 HA SER 19 HA SER 19 -5.427 22.721 -11.390 165 HB2 SER 19 HB2 SER 19 -5.932 20.574 -12.011 166 HB3 SER 19 HB3 SER 19 -7.008 20.315 -10.639 167 HG SER 19 HG SER 19 -7.556 21.780 -13.005 168 H GLN 20 H GLN 20 -7.623 22.788 -8.729 169 HA GLN 20 HA GLN 20 -9.766 24.157 -9.977 170 HB2 GLN 20 HB2 GLN 20 -9.045 23.308 -7.302 171 HB3 GLN 20 HB3 GLN 20 -9.764 24.913 -7.287 172 HG2 GLN 20 HG2 GLN 20 -11.321 22.925 -7.011 173 HG3 GLN 20 HG3 GLN 20 -11.773 24.155 -8.190 174 HE21 GLN 20 HE21 GLN 20 -10.634 20.908 -7.722 175 HE22 GLN 20 HE22 GLN 20 -10.912 20.360 -9.337 176 H ARG 21 H ARG 21 -6.690 25.164 -8.771 177 HA ARG 21 HA ARG 21 -7.478 27.987 -9.044 178 HB2 ARG 21 HB2 ARG 21 -5.624 28.555 -7.618 179 HB3 ARG 21 HB3 ARG 21 -6.564 27.293 -6.833 180 HG2 ARG 21 HG2 ARG 21 -4.943 25.650 -7.305 181 HG3 ARG 21 HG3 ARG 21 -4.109 26.698 -8.455 182 HD2 ARG 21 HD2 ARG 21 -4.144 28.128 -6.062 183 HD3 ARG 21 HD3 ARG 21 -3.782 26.467 -5.594 184 HE ARG 21 HE ARG 21 -2.171 27.140 -7.780 185 HH11 ARG 21 HH11 ARG 21 -0.925 28.419 -4.197 186 HH12 ARG 21 HH12 ARG 21 -2.588 27.991 -4.430 187 HH21 ARG 21 HH21 ARG 21 0.557 28.254 -5.936 188 HH22 ARG 21 HH22 ARG 21 0.020 27.701 -7.486 189 H TYR 22 H TYR 22 -5.355 25.493 -10.199 190 HA TYR 22 HA TYR 22 -3.763 27.361 -11.763 191 HB2 TYR 22 HB2 TYR 22 -3.265 24.851 -10.641 192 HB3 TYR 22 HB3 TYR 22 -3.321 24.561 -12.376 193 HD1 TYR 22 HD1 TYR 22 -1.161 24.363 -13.170 194 HD2 TYR 22 HD2 TYR 22 -2.033 27.425 -10.347 195 HE1 TYR 22 HE1 TYR 22 1.138 25.210 -13.388 196 HE2 TYR 22 HE2 TYR 22 0.263 28.281 -10.558 197 HH TYR 22 HH TYR 22 2.249 28.012 -11.505 198 H GLN 23 H GLN 23 -5.978 27.923 -12.787 199 HA GLN 23 HA GLN 23 -6.177 26.382 -15.276 200 HB2 GLN 23 HB2 GLN 23 -8.290 26.863 -13.285 201 HB3 GLN 23 HB3 GLN 23 -8.751 27.231 -14.942 202 HG2 GLN 23 HG2 GLN 23 -7.449 24.768 -15.072 203 HG3 GLN 23 HG3 GLN 23 -8.470 24.686 -13.637 204 HE21 GLN 23 HE21 GLN 23 -8.796 23.178 -16.023 205 HE22 GLN 23 HE22 GLN 23 -10.323 23.608 -16.707 206 H LYS 24 H LYS 24 -5.318 29.180 -14.020 207 HA LYS 24 HA LYS 24 -6.363 30.740 -16.291 208 HB2 LYS 24 HB2 LYS 24 -6.446 32.712 -14.922 209 HB3 LYS 24 HB3 LYS 24 -7.339 31.439 -14.100 210 HG2 LYS 24 HG2 LYS 24 -5.556 31.082 -12.558 211 HG3 LYS 24 HG3 LYS 24 -4.485 32.149 -13.468 212 HD2 LYS 24 HD2 LYS 24 -6.606 33.788 -12.977 213 HD3 LYS 24 HD3 LYS 24 -6.586 32.790 -11.521 214 HE2 LYS 24 HE2 LYS 24 -4.120 34.130 -12.601 215 HE3 LYS 24 HE3 LYS 24 -5.212 34.929 -11.471 216 HZ1 LYS 24 HZ1 LYS 24 -4.698 33.437 -9.795 217 HZ2 LYS 24 HZ2 LYS 24 -3.200 33.677 -10.542 218 HZ3 LYS 24 HZ3 LYS 24 -4.086 32.271 -10.858 219 H PHE 25 H PHE 25 -3.665 29.923 -14.245 220 HA PHE 25 HA PHE 25 -1.783 31.810 -14.909 221 HB2 PHE 25 HB2 PHE 25 -0.113 30.228 -14.304 222 HB3 PHE 25 HB3 PHE 25 -1.524 29.849 -13.322 223 HD1 PHE 25 HD1 PHE 25 0.981 28.498 -15.332 224 HD2 PHE 25 HD2 PHE 25 -3.155 28.072 -14.423 225 HE1 PHE 25 HE1 PHE 25 1.044 26.177 -16.148 226 HE2 PHE 25 HE2 PHE 25 -3.098 25.751 -15.237 227 HZ PHE 25 HZ PHE 25 -0.997 24.800 -16.100 228 H ALA 26 H ALA 26 -2.996 29.169 -16.853 229 HA ALA 26 HA ALA 26 -2.232 30.320 -19.287 230 HB1 ALA 26 HB1 ALA 26 -0.020 29.870 -19.189 231 HB2 ALA 26 HB2 ALA 26 -0.227 28.545 -18.044 232 HB3 ALA 26 HB3 ALA 26 -0.550 28.287 -19.758 233 H LEU 27 H LEU 27 -2.756 27.261 -17.584 234 HA LEU 27 HA LEU 27 -4.121 25.494 -18.011 235 HB2 LEU 27 HB2 LEU 27 -5.689 27.516 -18.438 236 HB3 LEU 27 HB3 LEU 27 -5.504 27.083 -20.136 237 HG LEU 27 HG LEU 27 -6.377 24.807 -19.564 238 HD11 LEU 27 HD11 LEU 27 -7.546 25.869 -17.066 239 HD12 LEU 27 HD12 LEU 27 -5.848 25.396 -17.013 240 HD13 LEU 27 HD13 LEU 27 -7.075 24.224 -17.494 241 HD21 LEU 27 HD21 LEU 27 -8.440 25.503 -20.097 242 HD22 LEU 27 HD22 LEU 27 -7.708 27.107 -20.161 243 HD23 LEU 27 HD23 LEU 27 -8.546 26.577 -18.702 244 HA PRO 28 HA PRO 28 -1.572 24.552 -21.780 245 HB2 PRO 28 HB2 PRO 28 -0.306 22.419 -20.677 246 HB3 PRO 28 HB3 PRO 28 0.280 24.077 -20.505 247 HG2 PRO 28 HG2 PRO 28 -1.307 22.420 -18.582 248 HG3 PRO 28 HG3 PRO 28 0.075 23.485 -18.266 249 HD2 PRO 28 HD2 PRO 28 -2.484 24.238 -17.796 250 HD3 PRO 28 HD3 PRO 28 -1.226 25.388 -18.294 251 H GLN 29 H GLN 29 -3.738 22.807 -19.715 252 HA GLN 29 HA GLN 29 -4.281 20.916 -21.909 253 HB2 GLN 29 HB2 GLN 29 -5.254 19.530 -19.877 254 HB3 GLN 29 HB3 GLN 29 -3.551 19.452 -20.306 255 HG2 GLN 29 HG2 GLN 29 -3.738 19.666 -17.936 256 HG3 GLN 29 HG3 GLN 29 -3.083 21.167 -18.589 257 HE21 GLN 29 HE21 GLN 29 -3.931 22.947 -17.803 258 HE22 GLN 29 HE22 GLN 29 -5.510 23.115 -17.123 259 H TYR 30 H TYR 30 -5.670 22.866 -22.498 260 HA TYR 30 HA TYR 30 -7.877 23.714 -21.083 261 HB2 TYR 30 HB2 TYR 30 -7.873 23.262 -24.069 262 HB3 TYR 30 HB3 TYR 30 -8.803 24.453 -23.165 263 HD1 TYR 30 HD1 TYR 30 -7.608 26.378 -22.093 264 HD2 TYR 30 HD2 TYR 30 -5.665 23.723 -24.790 265 HE1 TYR 30 HE1 TYR 30 -5.818 28.033 -22.422 266 HE2 TYR 30 HE2 TYR 30 -3.869 25.369 -25.125 267 HH TYR 30 HH TYR 30 -4.112 28.605 -24.020 268 H LEU 31 H LEU 31 -8.112 21.356 -23.746 269 HA LEU 31 HA LEU 31 -10.566 20.307 -22.613 270 HB2 LEU 31 HB2 LEU 31 -9.175 19.187 -25.014 271 HB3 LEU 31 HB3 LEU 31 -10.897 19.210 -24.640 272 HG LEU 31 HG LEU 31 -9.400 21.744 -25.224 273 HD11 LEU 31 HD11 LEU 31 -10.714 19.931 -27.243 274 HD12 LEU 31 HD12 LEU 31 -8.982 20.227 -27.094 275 HD13 LEU 31 HD13 LEU 31 -10.063 21.541 -27.557 276 HD21 LEU 31 HD21 LEU 31 -12.074 21.639 -26.188 277 HD22 LEU 31 HD22 LEU 31 -11.396 22.659 -24.919 278 HD23 LEU 31 HD23 LEU 31 -12.058 21.074 -24.517 279 H LYS 32 H LYS 32 -10.882 18.231 -21.859 280 HA LYS 32 HA LYS 32 -8.427 16.786 -21.135 281 HB2 LYS 32 HB2 LYS 32 -10.807 17.469 -19.690 282 HB3 LYS 32 HB3 LYS 32 -10.663 15.717 -19.760 283 HG2 LYS 32 HG2 LYS 32 -8.861 15.676 -18.411 284 HG3 LYS 32 HG3 LYS 32 -8.200 17.175 -19.068 285 HD2 LYS 32 HD2 LYS 32 -9.876 18.451 -17.801 286 HD3 LYS 32 HD3 LYS 32 -10.501 16.944 -17.126 287 HE2 LYS 32 HE2 LYS 32 -8.307 16.510 -16.110 288 HE3 LYS 32 HE3 LYS 32 -7.710 18.033 -16.764 289 HZ1 LYS 32 HZ1 LYS 32 -8.595 19.136 -15.075 290 HZ2 LYS 32 HZ2 LYS 32 -8.950 17.654 -14.341 291 HZ3 LYS 32 HZ3 LYS 32 -10.113 18.422 -15.300 Start of MODEL 6 1 H1 THR 2 H THR 2 3.197 -1.434 0.862 2 HA THR 2 HA THR 2 2.689 -1.448 -2.005 3 HB THR 2 HB THR 2 1.816 0.992 -0.844 4 HG1 THR 2 HG1 THR 2 0.407 0.005 0.790 5 HG21 THR 2 HG21 THR 2 0.163 -1.448 -1.486 6 HG22 THR 2 HG22 THR 2 0.804 -0.353 -2.711 7 HG23 THR 2 HG23 THR 2 -0.349 0.238 -1.516 8 H LYS 3 H LYS 3 2.773 1.019 -2.871 9 HA LYS 3 HA LYS 3 4.864 2.689 -2.074 10 HB2 LYS 3 HB2 LYS 3 5.902 0.384 -3.141 11 HB3 LYS 3 HB3 LYS 3 5.858 1.448 -4.541 12 HG2 LYS 3 HG2 LYS 3 7.617 2.595 -3.827 13 HG3 LYS 3 HG3 LYS 3 6.915 2.806 -2.221 14 HD2 LYS 3 HD2 LYS 3 7.599 0.231 -2.040 15 HD3 LYS 3 HD3 LYS 3 8.803 0.750 -3.222 16 HE2 LYS 3 HE2 LYS 3 8.375 2.387 -0.765 17 HE3 LYS 3 HE3 LYS 3 9.292 0.886 -0.645 18 HZ1 LYS 3 HZ1 LYS 3 10.686 2.859 -1.056 19 HZ2 LYS 3 HZ2 LYS 3 9.914 3.081 -2.544 20 HZ3 LYS 3 HZ3 LYS 3 10.836 1.689 -2.269 21 H LEU 4 H LEU 4 2.950 1.398 -4.715 22 HA LEU 4 HA LEU 4 3.079 3.937 -6.150 23 HB2 LEU 4 HB2 LEU 4 1.905 1.250 -6.815 24 HB3 LEU 4 HB3 LEU 4 1.629 2.678 -7.810 25 HG LEU 4 HG LEU 4 4.278 2.744 -7.807 26 HD11 LEU 4 HD11 LEU 4 5.348 0.896 -7.185 27 HD12 LEU 4 HD12 LEU 4 4.208 -0.146 -8.036 28 HD13 LEU 4 HD13 LEU 4 3.847 0.405 -6.400 29 HD21 LEU 4 HD21 LEU 4 2.460 1.051 -9.501 30 HD22 LEU 4 HD22 LEU 4 4.168 1.280 -9.876 31 HD23 LEU 4 HD23 LEU 4 3.080 2.668 -9.835 32 H THR 5 H THR 5 0.734 1.839 -4.535 33 HA THR 5 HA THR 5 -1.613 3.180 -5.097 34 HB THR 5 HB THR 5 -1.079 2.072 -2.351 35 HG1 THR 5 HG1 THR 5 -1.772 0.021 -3.450 36 HG21 THR 5 HG21 THR 5 -3.277 3.122 -2.883 37 HG22 THR 5 HG22 THR 5 -3.394 1.418 -2.445 38 HG23 THR 5 HG23 THR 5 -3.507 1.904 -4.136 39 H GLU 6 H GLU 6 0.598 3.748 -2.361 40 HA GLU 6 HA GLU 6 -0.795 5.838 -1.166 41 HB2 GLU 6 HB2 GLU 6 2.016 4.894 -1.153 42 HB3 GLU 6 HB3 GLU 6 1.740 6.538 -0.596 43 HG2 GLU 6 HG2 GLU 6 1.666 5.219 1.329 44 HG3 GLU 6 HG3 GLU 6 -0.019 5.567 0.948 45 H GLU 7 H GLU 7 2.074 6.188 -3.263 46 HA GLU 7 HA GLU 7 2.001 8.915 -3.601 47 HB2 GLU 7 HB2 GLU 7 2.920 6.701 -5.413 48 HB3 GLU 7 HB3 GLU 7 3.033 8.383 -5.915 49 HG2 GLU 7 HG2 GLU 7 4.242 8.682 -3.622 50 HG3 GLU 7 HG3 GLU 7 4.502 6.944 -3.761 51 H GLU 8 H GLU 8 0.543 6.509 -5.796 52 HA GLU 8 HA GLU 8 -0.684 8.258 -7.552 53 HB2 GLU 8 HB2 GLU 8 -0.514 5.689 -7.636 54 HB3 GLU 8 HB3 GLU 8 -1.991 5.691 -6.684 55 HG2 GLU 8 HG2 GLU 8 -2.595 5.429 -8.963 56 HG3 GLU 8 HG3 GLU 8 -3.061 7.056 -8.469 57 H LYS 9 H LYS 9 -1.902 6.978 -4.484 58 HA LYS 9 HA LYS 9 -4.462 8.175 -4.650 59 HB2 LYS 9 HB2 LYS 9 -4.186 6.357 -3.141 60 HB3 LYS 9 HB3 LYS 9 -2.833 7.138 -2.334 61 HG2 LYS 9 HG2 LYS 9 -5.348 8.649 -2.267 62 HG3 LYS 9 HG3 LYS 9 -5.372 7.109 -1.403 63 HD2 LYS 9 HD2 LYS 9 -3.806 7.786 0.125 64 HD3 LYS 9 HD3 LYS 9 -3.044 8.917 -0.995 65 HE2 LYS 9 HE2 LYS 9 -4.089 10.421 0.349 66 HE3 LYS 9 HE3 LYS 9 -5.412 10.111 -0.775 67 HZ1 LYS 9 HZ1 LYS 9 -5.100 8.547 1.714 68 HZ2 LYS 9 HZ2 LYS 9 -6.478 8.730 0.752 69 HZ3 LYS 9 HZ3 LYS 9 -5.929 10.022 1.696 70 H ASN 10 H ASN 10 -1.349 9.392 -3.817 71 HA ASN 10 HA ASN 10 -2.360 11.691 -2.382 72 HB2 ASN 10 HB2 ASN 10 0.444 11.179 -3.394 73 HB3 ASN 10 HB3 ASN 10 -0.041 12.359 -2.180 74 HD21 ASN 10 HD21 ASN 10 1.840 10.093 -2.063 75 HD22 ASN 10 HD22 ASN 10 1.312 9.126 -0.733 76 H ARG 11 H ARG 11 -0.554 11.201 -5.419 77 HA ARG 11 HA ARG 11 -0.587 13.786 -6.367 78 HB2 ARG 11 HB2 ARG 11 0.440 11.578 -7.347 79 HB3 ARG 11 HB3 ARG 11 -1.056 11.523 -8.270 80 HG2 ARG 11 HG2 ARG 11 0.312 14.115 -8.318 81 HG3 ARG 11 HG3 ARG 11 1.206 12.786 -9.060 82 HD2 ARG 11 HD2 ARG 11 -0.883 12.251 -10.356 83 HD3 ARG 11 HD3 ARG 11 -1.559 13.761 -9.748 84 HE ARG 11 HE ARG 11 0.762 14.565 -10.844 85 HH11 ARG 11 HH11 ARG 11 -1.597 13.023 -13.687 86 HH12 ARG 11 HH12 ARG 11 -1.830 12.567 -12.032 87 HH21 ARG 11 HH21 ARG 11 0.058 14.505 -14.248 88 HH22 ARG 11 HH22 ARG 11 1.078 15.173 -13.019 89 H LEU 12 H LEU 12 -3.171 11.439 -6.315 90 HA LEU 12 HA LEU 12 -4.897 12.697 -8.161 91 HB2 LEU 12 HB2 LEU 12 -5.043 10.545 -6.203 92 HB3 LEU 12 HB3 LEU 12 -6.554 11.441 -6.352 93 HG LEU 12 HG LEU 12 -6.761 10.873 -8.652 94 HD11 LEU 12 HD11 LEU 12 -4.642 11.074 -9.576 95 HD12 LEU 12 HD12 LEU 12 -4.947 9.339 -9.655 96 HD13 LEU 12 HD13 LEU 12 -3.911 9.995 -8.388 97 HD21 LEU 12 HD21 LEU 12 -5.905 8.536 -6.959 98 HD22 LEU 12 HD22 LEU 12 -6.634 8.359 -8.556 99 HD23 LEU 12 HD23 LEU 12 -7.541 9.126 -7.251 100 H ASN 13 H ASN 13 -4.682 12.885 -4.618 101 HA ASN 13 HA ASN 13 -6.782 14.808 -4.392 102 HB2 ASN 13 HB2 ASN 13 -4.692 13.769 -2.490 103 HB3 ASN 13 HB3 ASN 13 -5.781 15.075 -2.034 104 HD21 ASN 13 HD21 ASN 13 -6.286 12.121 -3.922 105 HD22 ASN 13 HD22 ASN 13 -7.550 11.495 -2.925 106 H PHE 14 H PHE 14 -3.253 14.964 -4.448 107 HA PHE 14 HA PHE 14 -3.000 17.700 -3.846 108 HB2 PHE 14 HB2 PHE 14 -1.040 16.393 -3.666 109 HB3 PHE 14 HB3 PHE 14 -1.224 15.746 -5.293 110 HD1 PHE 14 HD1 PHE 14 -0.160 16.755 -7.101 111 HD2 PHE 14 HD2 PHE 14 -0.511 18.868 -3.422 112 HE1 PHE 14 HE1 PHE 14 1.334 18.508 -7.968 113 HE2 PHE 14 HE2 PHE 14 0.981 20.624 -4.284 114 HZ PHE 14 HZ PHE 14 1.905 20.446 -6.560 115 H LEU 15 H LEU 15 -3.343 15.984 -6.918 116 HA LEU 15 HA LEU 15 -3.001 18.244 -8.583 117 HB2 LEU 15 HB2 LEU 15 -2.889 15.779 -9.211 118 HB3 LEU 15 HB3 LEU 15 -4.651 15.825 -9.258 119 HG LEU 15 HG LEU 15 -4.592 17.440 -11.064 120 HD11 LEU 15 HD11 LEU 15 -2.199 17.736 -12.102 121 HD12 LEU 15 HD12 LEU 15 -1.682 17.468 -10.438 122 HD13 LEU 15 HD13 LEU 15 -2.770 18.802 -10.819 123 HD21 LEU 15 HD21 LEU 15 -2.616 15.415 -11.971 124 HD22 LEU 15 HD22 LEU 15 -4.126 15.939 -12.718 125 HD23 LEU 15 HD23 LEU 15 -4.158 14.845 -11.334 126 H LYS 16 H LYS 16 -5.904 16.618 -7.341 127 HA LYS 16 HA LYS 16 -7.737 18.406 -8.573 128 HB2 LYS 16 HB2 LYS 16 -8.152 16.632 -6.160 129 HB3 LYS 16 HB3 LYS 16 -9.418 17.365 -7.137 130 HG2 LYS 16 HG2 LYS 16 -7.479 15.689 -8.590 131 HG3 LYS 16 HG3 LYS 16 -8.546 14.849 -7.462 132 HD2 LYS 16 HD2 LYS 16 -9.855 14.800 -9.335 133 HD3 LYS 16 HD3 LYS 16 -10.380 16.340 -8.651 134 HE2 LYS 16 HE2 LYS 16 -9.550 17.500 -10.372 135 HE3 LYS 16 HE3 LYS 16 -8.031 16.606 -10.346 136 HZ1 LYS 16 HZ1 LYS 16 -9.388 16.371 -12.419 137 HZ2 LYS 16 HZ2 LYS 16 -10.527 15.511 -11.511 138 HZ3 LYS 16 HZ3 LYS 16 -8.955 14.910 -11.682 139 H LYS 17 H LYS 17 -5.867 18.514 -5.672 140 HA LYS 17 HA LYS 17 -7.470 20.498 -4.350 141 HB2 LYS 17 HB2 LYS 17 -4.864 19.152 -3.838 142 HB3 LYS 17 HB3 LYS 17 -5.149 20.698 -3.049 143 HG2 LYS 17 HG2 LYS 17 -7.263 19.766 -2.127 144 HG3 LYS 17 HG3 LYS 17 -6.809 18.199 -2.803 145 HD2 LYS 17 HD2 LYS 17 -4.763 19.542 -1.151 146 HD3 LYS 17 HD3 LYS 17 -6.201 18.981 -0.296 147 HE2 LYS 17 HE2 LYS 17 -5.840 16.748 -0.939 148 HE3 LYS 17 HE3 LYS 17 -4.683 17.208 -2.188 149 HZ1 LYS 17 HZ1 LYS 17 -3.437 16.355 -0.401 150 HZ2 LYS 17 HZ2 LYS 17 -4.296 17.251 0.749 151 HZ3 LYS 17 HZ3 LYS 17 -3.244 18.034 -0.320 152 H ILE 18 H ILE 18 -4.484 20.496 -6.250 153 HA ILE 18 HA ILE 18 -4.151 23.351 -6.008 154 HB ILE 18 HB ILE 18 -2.240 23.105 -7.455 155 HG12 ILE 18 HG12 ILE 18 -3.230 20.280 -7.892 156 HG13 ILE 18 HG13 ILE 18 -3.152 21.561 -9.096 157 HG21 ILE 18 HG21 ILE 18 -1.037 22.292 -5.772 158 HG22 ILE 18 HG22 ILE 18 -2.552 21.827 -5.001 159 HG23 ILE 18 HG23 ILE 18 -1.687 20.670 -6.012 160 HD11 ILE 18 HD11 ILE 18 -1.184 20.717 -9.666 161 HD12 ILE 18 HD12 ILE 18 -0.564 21.382 -8.155 162 HD13 ILE 18 HD13 ILE 18 -1.114 19.708 -8.221 163 H SER 19 H SER 19 -5.546 21.108 -8.288 164 HA SER 19 HA SER 19 -5.634 22.613 -10.602 165 HB2 SER 19 HB2 SER 19 -6.552 20.609 -11.106 166 HB3 SER 19 HB3 SER 19 -7.182 20.384 -9.474 167 HG SER 19 HG SER 19 -8.498 21.124 -11.663 168 H GLN 20 H GLN 20 -7.696 22.800 -7.754 169 HA GLN 20 HA GLN 20 -9.719 24.436 -8.704 170 HB2 GLN 20 HB2 GLN 20 -8.498 24.668 -5.955 171 HB3 GLN 20 HB3 GLN 20 -10.151 25.037 -6.427 172 HG2 GLN 20 HG2 GLN 20 -8.855 22.331 -6.259 173 HG3 GLN 20 HG3 GLN 20 -10.159 22.967 -5.258 174 HE21 GLN 20 HE21 GLN 20 -10.264 20.545 -6.681 175 HE22 GLN 20 HE22 GLN 20 -11.497 20.679 -7.883 176 H ARG 21 H ARG 21 -6.416 25.198 -7.981 177 HA ARG 21 HA ARG 21 -6.959 28.069 -8.273 178 HB2 ARG 21 HB2 ARG 21 -5.665 27.807 -6.358 179 HB3 ARG 21 HB3 ARG 21 -4.717 26.500 -7.056 180 HG2 ARG 21 HG2 ARG 21 -3.540 28.066 -8.476 181 HG3 ARG 21 HG3 ARG 21 -4.538 29.392 -7.874 182 HD2 ARG 21 HD2 ARG 21 -2.476 29.493 -6.702 183 HD3 ARG 21 HD3 ARG 21 -3.675 28.860 -5.575 184 HE ARG 21 HE ARG 21 -2.413 26.700 -6.828 185 HH11 ARG 21 HH11 ARG 21 -0.443 28.381 -3.776 186 HH12 ARG 21 HH12 ARG 21 -1.682 29.270 -4.597 187 HH21 ARG 21 HH21 ARG 21 0.069 26.248 -4.437 188 HH22 ARG 21 HH22 ARG 21 -0.783 25.519 -5.756 189 H TYR 22 H TYR 22 -4.993 25.435 -9.574 190 HA TYR 22 HA TYR 22 -3.782 27.095 -11.587 191 HB2 TYR 22 HB2 TYR 22 -3.240 24.584 -10.471 192 HB3 TYR 22 HB3 TYR 22 -3.642 24.259 -12.153 193 HD1 TYR 22 HD1 TYR 22 -1.690 23.892 -13.331 194 HD2 TYR 22 HD2 TYR 22 -1.811 27.071 -10.506 195 HE1 TYR 22 HE1 TYR 22 0.575 24.571 -14.008 196 HE2 TYR 22 HE2 TYR 22 0.454 27.760 -11.176 197 HH TYR 22 HH TYR 22 2.301 27.144 -12.325 198 H GLN 23 H GLN 23 -6.110 27.785 -12.180 199 HA GLN 23 HA GLN 23 -6.867 26.234 -14.544 200 HB2 GLN 23 HB2 GLN 23 -9.214 26.322 -14.034 201 HB3 GLN 23 HB3 GLN 23 -8.380 25.593 -12.668 202 HG2 GLN 23 HG2 GLN 23 -9.185 27.122 -11.292 203 HG3 GLN 23 HG3 GLN 23 -8.547 28.424 -12.294 204 HE21 GLN 23 HE21 GLN 23 -11.009 25.992 -13.011 205 HE22 GLN 23 HE22 GLN 23 -12.286 27.116 -13.312 206 H LYS 24 H LYS 24 -5.662 28.966 -13.588 207 HA LYS 24 HA LYS 24 -7.215 30.585 -15.497 208 HB2 LYS 24 HB2 LYS 24 -6.762 32.566 -14.143 209 HB3 LYS 24 HB3 LYS 24 -7.627 31.357 -13.204 210 HG2 LYS 24 HG2 LYS 24 -5.605 30.718 -12.069 211 HG3 LYS 24 HG3 LYS 24 -4.650 31.794 -13.092 212 HD2 LYS 24 HD2 LYS 24 -4.962 32.938 -11.045 213 HD3 LYS 24 HD3 LYS 24 -6.070 33.689 -12.197 214 HE2 LYS 24 HE2 LYS 24 -7.764 33.258 -10.830 215 HE3 LYS 24 HE3 LYS 24 -7.440 31.532 -10.981 216 HZ1 LYS 24 HZ1 LYS 24 -5.970 33.249 -9.070 217 HZ2 LYS 24 HZ2 LYS 24 -6.076 31.561 -9.092 218 HZ3 LYS 24 HZ3 LYS 24 -7.424 32.487 -8.661 219 H PHE 25 H PHE 25 -4.091 29.771 -14.138 220 HA PHE 25 HA PHE 25 -2.425 31.587 -15.353 221 HB2 PHE 25 HB2 PHE 25 -0.660 30.005 -15.092 222 HB3 PHE 25 HB3 PHE 25 -1.777 29.733 -13.759 223 HD1 PHE 25 HD1 PHE 25 0.085 28.200 -16.299 224 HD2 PHE 25 HD2 PHE 25 -3.614 27.910 -14.214 225 HE1 PHE 25 HE1 PHE 25 -0.082 25.828 -16.932 226 HE2 PHE 25 HE2 PHE 25 -3.787 25.538 -14.843 227 HZ PHE 25 HZ PHE 25 -2.019 24.493 -16.203 228 H ALA 26 H ALA 26 -4.033 28.815 -16.771 229 HA ALA 26 HA ALA 26 -3.958 29.804 -19.379 230 HB1 ALA 26 HB1 ALA 26 -2.183 27.513 -19.569 231 HB2 ALA 26 HB2 ALA 26 -2.059 29.107 -20.316 232 HB3 ALA 26 HB3 ALA 26 -1.466 28.853 -18.674 233 H LEU 27 H LEU 27 -4.052 26.996 -17.280 234 HA LEU 27 HA LEU 27 -5.262 25.065 -17.329 235 HB2 LEU 27 HB2 LEU 27 -6.969 27.160 -17.521 236 HB3 LEU 27 HB3 LEU 27 -7.414 26.240 -18.957 237 HG LEU 27 HG LEU 27 -7.413 25.167 -16.136 238 HD11 LEU 27 HD11 LEU 27 -9.873 25.598 -17.760 239 HD12 LEU 27 HD12 LEU 27 -9.151 26.967 -16.916 240 HD13 LEU 27 HD13 LEU 27 -9.669 25.547 -16.008 241 HD21 LEU 27 HD21 LEU 27 -7.604 23.152 -17.040 242 HD22 LEU 27 HD22 LEU 27 -7.376 23.855 -18.642 243 HD23 LEU 27 HD23 LEU 27 -9.001 23.684 -17.977 244 HA PRO 28 HA PRO 28 -4.020 24.226 -21.756 245 HB2 PRO 28 HB2 PRO 28 -2.147 22.358 -21.146 246 HB3 PRO 28 HB3 PRO 28 -1.787 24.086 -21.234 247 HG2 PRO 28 HG2 PRO 28 -2.321 22.382 -18.831 248 HG3 PRO 28 HG3 PRO 28 -1.089 23.637 -19.062 249 HD2 PRO 28 HD2 PRO 28 -3.390 24.087 -17.708 250 HD3 PRO 28 HD3 PRO 28 -2.576 25.350 -18.654 251 H GLN 29 H GLN 29 -6.296 23.352 -21.491 252 HA GLN 29 HA GLN 29 -6.189 20.455 -21.737 253 HB2 GLN 29 HB2 GLN 29 -7.584 21.907 -19.559 254 HB3 GLN 29 HB3 GLN 29 -8.467 20.588 -20.316 255 HG2 GLN 29 HG2 GLN 29 -7.344 19.118 -19.112 256 HG3 GLN 29 HG3 GLN 29 -5.822 19.701 -19.785 257 HE21 GLN 29 HE21 GLN 29 -5.677 22.220 -18.761 258 HE22 GLN 29 HE22 GLN 29 -5.542 22.151 -17.040 259 H TYR 30 H TYR 30 -6.786 23.034 -23.296 260 HA TYR 30 HA TYR 30 -9.378 22.161 -24.395 261 HB2 TYR 30 HB2 TYR 30 -9.472 24.588 -25.263 262 HB3 TYR 30 HB3 TYR 30 -9.786 24.310 -23.553 263 HD1 TYR 30 HD1 TYR 30 -6.853 24.978 -25.782 264 HD2 TYR 30 HD2 TYR 30 -8.787 25.763 -22.074 265 HE1 TYR 30 HE1 TYR 30 -5.080 26.581 -25.204 266 HE2 TYR 30 HE2 TYR 30 -7.019 27.369 -21.486 267 HH TYR 30 HH TYR 30 -4.718 28.484 -23.758 268 H LEU 31 H LEU 31 -6.065 22.615 -24.981 269 HA LEU 31 HA LEU 31 -6.077 23.162 -27.747 270 HB2 LEU 31 HB2 LEU 31 -4.163 22.689 -25.738 271 HB3 LEU 31 HB3 LEU 31 -3.851 21.511 -27.011 272 HG LEU 31 HG LEU 31 -2.473 23.439 -27.376 273 HD11 LEU 31 HD11 LEU 31 -4.106 22.337 -29.257 274 HD12 LEU 31 HD12 LEU 31 -2.798 23.471 -29.590 275 HD13 LEU 31 HD13 LEU 31 -4.454 24.056 -29.438 276 HD21 LEU 31 HD21 LEU 31 -5.037 24.939 -27.006 277 HD22 LEU 31 HD22 LEU 31 -3.711 25.636 -27.938 278 HD23 LEU 31 HD23 LEU 31 -3.468 25.203 -26.245 279 H LYS 32 H LYS 32 -7.004 21.943 -29.247 280 HA LYS 32 HA LYS 32 -7.009 19.023 -28.911 281 HB2 LYS 32 HB2 LYS 32 -8.846 20.956 -30.235 282 HB3 LYS 32 HB3 LYS 32 -8.704 19.352 -30.942 283 HG2 LYS 32 HG2 LYS 32 -9.016 18.913 -28.208 284 HG3 LYS 32 HG3 LYS 32 -10.149 20.207 -28.606 285 HD2 LYS 32 HD2 LYS 32 -11.319 18.887 -30.116 286 HD3 LYS 32 HD3 LYS 32 -9.972 17.767 -30.333 287 HE2 LYS 32 HE2 LYS 32 -10.345 17.217 -27.832 288 HE3 LYS 32 HE3 LYS 32 -11.923 17.967 -28.069 289 HZ1 LYS 32 HZ1 LYS 32 -12.307 16.391 -29.901 290 HZ2 LYS 32 HZ2 LYS 32 -12.098 15.616 -28.412 291 HZ3 LYS 32 HZ3 LYS 32 -10.839 15.629 -29.543 Start of MODEL 7 1 H1 THR 2 H THR 2 1.798 -0.762 1.467 2 HA THR 2 HA THR 2 2.034 -1.081 -1.118 3 HB THR 2 HB THR 2 0.450 0.517 -2.267 4 HG1 THR 2 HG1 THR 2 -1.036 0.221 0.149 5 HG21 THR 2 HG21 THR 2 -1.542 -1.301 -1.513 6 HG22 THR 2 HG22 THR 2 -0.019 -2.169 -1.329 7 HG23 THR 2 HG23 THR 2 -0.435 -1.437 -2.878 8 H LYS 3 H LYS 3 3.530 0.291 -1.899 9 HA LYS 3 HA LYS 3 3.864 2.867 -0.506 10 HB2 LYS 3 HB2 LYS 3 5.658 0.753 -0.664 11 HB3 LYS 3 HB3 LYS 3 6.237 1.884 -1.880 12 HG2 LYS 3 HG2 LYS 3 6.508 3.607 -0.279 13 HG3 LYS 3 HG3 LYS 3 5.631 2.693 0.950 14 HD2 LYS 3 HD2 LYS 3 8.045 1.436 -0.236 15 HD3 LYS 3 HD3 LYS 3 8.289 2.787 0.873 16 HE2 LYS 3 HE2 LYS 3 6.869 1.604 2.533 17 HE3 LYS 3 HE3 LYS 3 6.793 0.229 1.432 18 HZ1 LYS 3 HZ1 LYS 3 8.974 1.132 3.121 19 HZ2 LYS 3 HZ2 LYS 3 9.421 0.600 1.580 20 HZ3 LYS 3 HZ3 LYS 3 8.571 -0.431 2.616 21 H LEU 4 H LEU 4 3.537 1.255 -3.534 22 HA LEU 4 HA LEU 4 4.283 3.656 -5.030 23 HB2 LEU 4 HB2 LEU 4 4.444 0.875 -5.531 24 HB3 LEU 4 HB3 LEU 4 3.327 1.559 -6.711 25 HG LEU 4 HG LEU 4 5.545 1.474 -7.646 26 HD11 LEU 4 HD11 LEU 4 3.939 3.567 -7.819 27 HD12 LEU 4 HD12 LEU 4 5.535 3.555 -8.570 28 HD13 LEU 4 HD13 LEU 4 5.295 4.366 -7.023 29 HD21 LEU 4 HD21 LEU 4 6.461 3.278 -5.416 30 HD22 LEU 4 HD22 LEU 4 7.441 2.537 -6.681 31 HD23 LEU 4 HD23 LEU 4 6.715 1.533 -5.425 32 H THR 5 H THR 5 1.525 1.590 -4.325 33 HA THR 5 HA THR 5 -0.295 2.784 -6.123 34 HB THR 5 HB THR 5 -1.398 1.738 -3.586 35 HG1 THR 5 HG1 THR 5 0.296 0.227 -5.288 36 HG21 THR 5 HG21 THR 5 -3.070 1.843 -5.117 37 HG22 THR 5 HG22 THR 5 -2.457 0.251 -5.561 38 HG23 THR 5 HG23 THR 5 -1.973 1.672 -6.486 39 H GLU 6 H GLU 6 0.304 3.337 -2.659 40 HA GLU 6 HA GLU 6 -1.627 5.239 -2.153 41 HB2 GLU 6 HB2 GLU 6 -0.032 6.118 -0.413 42 HB3 GLU 6 HB3 GLU 6 -0.341 4.389 -0.338 43 HG2 GLU 6 HG2 GLU 6 1.781 4.042 -1.615 44 HG3 GLU 6 HG3 GLU 6 2.103 5.764 -1.418 45 H GLU 7 H GLU 7 1.670 5.767 -3.376 46 HA GLU 7 HA GLU 7 1.620 8.540 -3.519 47 HB2 GLU 7 HB2 GLU 7 3.167 6.382 -4.807 48 HB3 GLU 7 HB3 GLU 7 3.146 7.910 -5.676 49 HG2 GLU 7 HG2 GLU 7 5.035 7.496 -4.011 50 HG3 GLU 7 HG3 GLU 7 4.206 9.050 -3.954 51 H GLU 8 H GLU 8 0.938 6.246 -6.167 52 HA GLU 8 HA GLU 8 0.157 8.058 -8.093 53 HB2 GLU 8 HB2 GLU 8 0.307 5.364 -7.994 54 HB3 GLU 8 HB3 GLU 8 -1.438 5.568 -7.950 55 HG2 GLU 8 HG2 GLU 8 0.250 6.924 -10.020 56 HG3 GLU 8 HG3 GLU 8 -0.323 5.269 -10.223 57 H LYS 9 H LYS 9 -1.668 6.799 -5.377 58 HA LYS 9 HA LYS 9 -4.184 7.869 -6.227 59 HB2 LYS 9 HB2 LYS 9 -4.098 5.948 -4.731 60 HB3 LYS 9 HB3 LYS 9 -3.249 6.899 -3.519 61 HG2 LYS 9 HG2 LYS 9 -5.560 8.347 -4.046 62 HG3 LYS 9 HG3 LYS 9 -6.079 6.660 -4.028 63 HD2 LYS 9 HD2 LYS 9 -5.215 6.334 -1.835 64 HD3 LYS 9 HD3 LYS 9 -4.374 7.885 -1.867 65 HE2 LYS 9 HE2 LYS 9 -6.278 8.262 -0.552 66 HE3 LYS 9 HE3 LYS 9 -6.679 8.940 -2.129 67 HZ1 LYS 9 HZ1 LYS 9 -8.489 7.682 -2.055 68 HZ2 LYS 9 HZ2 LYS 9 -7.946 6.825 -0.702 69 HZ3 LYS 9 HZ3 LYS 9 -7.496 6.328 -2.256 70 H ASN 10 H ASN 10 -1.520 8.992 -4.250 71 HA ASN 10 HA ASN 10 -2.861 11.196 -3.074 72 HB2 ASN 10 HB2 ASN 10 0.102 10.883 -3.601 73 HB3 ASN 10 HB3 ASN 10 -0.647 11.974 -2.438 74 HD21 ASN 10 HD21 ASN 10 1.305 9.846 -2.033 75 HD22 ASN 10 HD22 ASN 10 0.598 8.761 -0.889 76 H ARG 11 H ARG 11 -0.870 10.836 -5.978 77 HA ARG 11 HA ARG 11 -0.603 13.475 -6.734 78 HB2 ARG 11 HB2 ARG 11 0.425 11.490 -7.866 79 HB3 ARG 11 HB3 ARG 11 -1.131 11.178 -8.622 80 HG2 ARG 11 HG2 ARG 11 -0.466 13.889 -9.104 81 HG3 ARG 11 HG3 ARG 11 0.947 12.901 -9.484 82 HD2 ARG 11 HD2 ARG 11 -0.421 11.488 -10.928 83 HD3 ARG 11 HD3 ARG 11 -1.846 12.445 -10.528 84 HE ARG 11 HE ARG 11 -1.139 14.062 -11.994 85 HH11 ARG 11 HH11 ARG 11 2.476 12.467 -12.640 86 HH12 ARG 11 HH12 ARG 11 1.459 11.824 -11.393 87 HH21 ARG 11 HH21 ARG 11 1.754 14.228 -13.915 88 HH22 ARG 11 HH22 ARG 11 0.191 14.918 -13.638 89 H LEU 12 H LEU 12 -3.357 11.319 -7.175 90 HA LEU 12 HA LEU 12 -4.866 13.007 -8.857 91 HB2 LEU 12 HB2 LEU 12 -6.137 11.143 -6.896 92 HB3 LEU 12 HB3 LEU 12 -6.631 11.535 -8.542 93 HG LEU 12 HG LEU 12 -4.371 9.735 -7.685 94 HD11 LEU 12 HD11 LEU 12 -6.549 8.697 -7.578 95 HD12 LEU 12 HD12 LEU 12 -5.651 8.055 -8.953 96 HD13 LEU 12 HD13 LEU 12 -6.925 9.247 -9.211 97 HD21 LEU 12 HD21 LEU 12 -4.814 11.199 -10.184 98 HD22 LEU 12 HD22 LEU 12 -4.568 9.464 -10.388 99 HD23 LEU 12 HD23 LEU 12 -3.353 10.436 -9.556 100 H ASN 13 H ASN 13 -4.448 12.864 -5.391 101 HA ASN 13 HA ASN 13 -6.632 14.681 -4.858 102 HB2 ASN 13 HB2 ASN 13 -4.532 13.366 -3.149 103 HB3 ASN 13 HB3 ASN 13 -5.576 14.629 -2.503 104 HD21 ASN 13 HD21 ASN 13 -6.167 11.929 -4.724 105 HD22 ASN 13 HD22 ASN 13 -7.440 11.221 -3.795 106 H PHE 14 H PHE 14 -3.099 14.797 -4.930 107 HA PHE 14 HA PHE 14 -2.848 17.463 -4.022 108 HB2 PHE 14 HB2 PHE 14 -0.911 16.099 -3.898 109 HB3 PHE 14 HB3 PHE 14 -1.023 15.652 -5.597 110 HD1 PHE 14 HD1 PHE 14 0.239 16.782 -7.168 111 HD2 PHE 14 HD2 PHE 14 -0.493 18.598 -3.389 112 HE1 PHE 14 HE1 PHE 14 1.780 18.609 -7.751 113 HE2 PHE 14 HE2 PHE 14 1.046 20.428 -3.966 114 HZ PHE 14 HZ PHE 14 2.185 20.436 -6.150 115 H LEU 15 H LEU 15 -3.029 16.043 -7.261 116 HA LEU 15 HA LEU 15 -2.640 18.460 -8.678 117 HB2 LEU 15 HB2 LEU 15 -2.642 15.910 -9.411 118 HB3 LEU 15 HB3 LEU 15 -4.307 16.294 -9.842 119 HG LEU 15 HG LEU 15 -3.017 16.536 -11.810 120 HD11 LEU 15 HD11 LEU 15 -4.631 18.434 -11.037 121 HD12 LEU 15 HD12 LEU 15 -3.615 18.658 -12.460 122 HD13 LEU 15 HD13 LEU 15 -3.147 19.381 -10.921 123 HD21 LEU 15 HD21 LEU 15 -0.898 17.003 -10.173 124 HD22 LEU 15 HD22 LEU 15 -1.186 18.612 -10.837 125 HD23 LEU 15 HD23 LEU 15 -0.892 17.250 -11.919 126 H LYS 16 H LYS 16 -5.527 16.778 -7.535 127 HA LYS 16 HA LYS 16 -7.353 18.619 -8.756 128 HB2 LYS 16 HB2 LYS 16 -7.697 16.483 -6.651 129 HB3 LYS 16 HB3 LYS 16 -9.028 17.470 -7.239 130 HG2 LYS 16 HG2 LYS 16 -7.382 16.078 -9.267 131 HG3 LYS 16 HG3 LYS 16 -8.445 15.090 -8.262 132 HD2 LYS 16 HD2 LYS 16 -9.814 15.620 -10.052 133 HD3 LYS 16 HD3 LYS 16 -10.243 16.863 -8.874 134 HE2 LYS 16 HE2 LYS 16 -9.038 18.515 -10.007 135 HE3 LYS 16 HE3 LYS 16 -8.104 17.333 -10.923 136 HZ1 LYS 16 HZ1 LYS 16 -11.024 17.510 -11.273 137 HZ2 LYS 16 HZ2 LYS 16 -9.856 16.926 -12.347 138 HZ3 LYS 16 HZ3 LYS 16 -10.005 18.590 -12.083 139 H LYS 17 H LYS 17 -5.640 18.441 -5.747 140 HA LYS 17 HA LYS 17 -7.296 20.320 -4.347 141 HB2 LYS 17 HB2 LYS 17 -5.985 18.656 -3.126 142 HB3 LYS 17 HB3 LYS 17 -4.495 19.337 -3.768 143 HG2 LYS 17 HG2 LYS 17 -4.606 21.201 -2.422 144 HG3 LYS 17 HG3 LYS 17 -6.353 21.070 -2.204 145 HD2 LYS 17 HD2 LYS 17 -6.114 19.243 -0.704 146 HD3 LYS 17 HD3 LYS 17 -4.404 19.056 -1.101 147 HE2 LYS 17 HE2 LYS 17 -3.768 20.806 0.211 148 HE3 LYS 17 HE3 LYS 17 -5.278 21.682 -0.037 149 HZ1 LYS 17 HZ1 LYS 17 -4.562 19.805 2.026 150 HZ2 LYS 17 HZ2 LYS 17 -6.078 19.505 1.338 151 HZ3 LYS 17 HZ3 LYS 17 -5.746 21.014 2.026 152 H ILE 18 H ILE 18 -4.481 20.483 -6.399 153 HA ILE 18 HA ILE 18 -4.116 23.325 -5.809 154 HB ILE 18 HB ILE 18 -2.070 23.212 -7.054 155 HG12 ILE 18 HG12 ILE 18 -2.922 20.408 -7.808 156 HG13 ILE 18 HG13 ILE 18 -2.805 21.788 -8.893 157 HG21 ILE 18 HG21 ILE 18 -2.599 21.673 -4.770 158 HG22 ILE 18 HG22 ILE 18 -1.550 20.690 -5.790 159 HG23 ILE 18 HG23 ILE 18 -1.043 22.308 -5.305 160 HD11 ILE 18 HD11 ILE 18 -0.765 19.942 -8.020 161 HD12 ILE 18 HD12 ILE 18 -0.759 21.083 -9.365 162 HD13 ILE 18 HD13 ILE 18 -0.294 21.620 -7.751 163 H SER 19 H SER 19 -5.454 21.217 -8.182 164 HA SER 19 HA SER 19 -5.315 22.796 -10.479 165 HB2 SER 19 HB2 SER 19 -6.191 20.820 -11.137 166 HB3 SER 19 HB3 SER 19 -6.910 20.511 -9.557 167 HG SER 19 HG SER 19 -8.623 20.813 -10.858 168 H GLN 20 H GLN 20 -7.532 22.896 -7.753 169 HA GLN 20 HA GLN 20 -9.539 24.509 -8.744 170 HB2 GLN 20 HB2 GLN 20 -8.463 23.866 -6.097 171 HB3 GLN 20 HB3 GLN 20 -9.231 25.446 -6.175 172 HG2 GLN 20 HG2 GLN 20 -10.646 23.401 -5.525 173 HG3 GLN 20 HG3 GLN 20 -11.304 24.563 -6.677 174 HE21 GLN 20 HE21 GLN 20 -10.029 21.368 -6.234 175 HE22 GLN 20 HE22 GLN 20 -10.510 20.739 -7.769 176 H ARG 21 H ARG 21 -6.403 25.468 -7.407 177 HA ARG 21 HA ARG 21 -6.959 28.271 -7.963 178 HB2 ARG 21 HB2 ARG 21 -4.956 28.765 -6.773 179 HB3 ARG 21 HB3 ARG 21 -5.790 27.510 -5.866 180 HG2 ARG 21 HG2 ARG 21 -4.288 25.835 -6.668 181 HG3 ARG 21 HG3 ARG 21 -3.544 26.972 -7.793 182 HD2 ARG 21 HD2 ARG 21 -3.329 28.215 -5.324 183 HD3 ARG 21 HD3 ARG 21 -3.003 26.517 -4.981 184 HE ARG 21 HE ARG 21 -1.532 27.261 -7.242 185 HH11 ARG 21 HH11 ARG 21 0.030 28.264 -3.695 186 HH12 ARG 21 HH12 ARG 21 -1.662 27.915 -3.825 187 HH21 ARG 21 HH21 ARG 21 1.371 28.153 -5.549 188 HH22 ARG 21 HH22 ARG 21 0.697 27.719 -7.083 189 H TYR 22 H TYR 22 -5.057 25.613 -9.204 190 HA TYR 22 HA TYR 22 -3.695 27.341 -11.117 191 HB2 TYR 22 HB2 TYR 22 -3.161 24.778 -9.918 192 HB3 TYR 22 HB3 TYR 22 -3.109 24.639 -11.672 193 HD1 TYR 22 HD1 TYR 22 -0.868 24.537 -9.408 194 HD2 TYR 22 HD2 TYR 22 -2.098 27.425 -12.280 195 HE1 TYR 22 HE1 TYR 22 1.399 25.491 -9.411 196 HE2 TYR 22 HE2 TYR 22 0.165 28.386 -12.292 197 HH TYR 22 HH TYR 22 2.832 26.827 -10.933 198 H GLN 23 H GLN 23 -5.718 27.927 -12.187 199 HA GLN 23 HA GLN 23 -6.390 25.969 -14.262 200 HB2 GLN 23 HB2 GLN 23 -8.205 27.124 -12.258 201 HB3 GLN 23 HB3 GLN 23 -8.784 27.245 -13.914 202 HG2 GLN 23 HG2 GLN 23 -7.857 24.639 -13.689 203 HG3 GLN 23 HG3 GLN 23 -8.672 24.960 -12.159 204 HE21 GLN 23 HE21 GLN 23 -9.530 23.119 -14.126 205 HE22 GLN 23 HE22 GLN 23 -11.064 23.653 -14.717 206 H LYS 24 H LYS 24 -5.027 28.779 -13.705 207 HA LYS 24 HA LYS 24 -6.147 30.046 -16.119 208 HB2 LYS 24 HB2 LYS 24 -5.781 32.201 -15.198 209 HB3 LYS 24 HB3 LYS 24 -6.582 31.264 -13.943 210 HG2 LYS 24 HG2 LYS 24 -4.375 30.859 -12.899 211 HG3 LYS 24 HG3 LYS 24 -3.648 31.916 -14.111 212 HD2 LYS 24 HD2 LYS 24 -5.925 33.164 -12.827 213 HD3 LYS 24 HD3 LYS 24 -4.702 32.675 -11.652 214 HE2 LYS 24 HE2 LYS 24 -3.020 33.798 -13.225 215 HE3 LYS 24 HE3 LYS 24 -4.425 34.541 -13.989 216 HZ1 LYS 24 HZ1 LYS 24 -4.406 36.068 -12.408 217 HZ2 LYS 24 HZ2 LYS 24 -3.100 35.319 -11.639 218 HZ3 LYS 24 HZ3 LYS 24 -4.683 34.881 -11.235 219 H PHE 25 H PHE 25 -3.334 29.027 -14.373 220 HA PHE 25 HA PHE 25 -1.297 30.404 -15.623 221 HB2 PHE 25 HB2 PHE 25 0.165 28.649 -14.954 222 HB3 PHE 25 HB3 PHE 25 -1.101 28.728 -13.732 223 HD1 PHE 25 HD1 PHE 25 -3.166 27.144 -14.213 224 HD2 PHE 25 HD2 PHE 25 0.757 26.591 -15.770 225 HE1 PHE 25 HE1 PHE 25 -3.641 24.753 -14.550 226 HE2 PHE 25 HE2 PHE 25 0.288 24.200 -16.110 227 HZ PHE 25 HZ PHE 25 -1.913 23.278 -15.500 228 H ALA 26 H ALA 26 -3.228 27.744 -16.825 229 HA ALA 26 HA ALA 26 -2.742 28.302 -19.517 230 HB1 ALA 26 HB1 ALA 26 -0.739 27.410 -19.883 231 HB2 ALA 26 HB2 ALA 26 -0.685 26.707 -18.266 232 HB3 ALA 26 HB3 ALA 26 -1.466 25.831 -19.582 233 H LEU 27 H LEU 27 -3.334 25.678 -17.209 234 HA LEU 27 HA LEU 27 -4.970 24.105 -17.078 235 HB2 LEU 27 HB2 LEU 27 -6.324 26.251 -17.582 236 HB3 LEU 27 HB3 LEU 27 -6.508 25.563 -19.194 237 HG LEU 27 HG LEU 27 -7.638 23.617 -18.241 238 HD11 LEU 27 HD11 LEU 27 -7.295 23.082 -16.117 239 HD12 LEU 27 HD12 LEU 27 -8.281 24.468 -15.651 240 HD13 LEU 27 HD13 LEU 27 -6.532 24.639 -15.798 241 HD21 LEU 27 HD21 LEU 27 -9.043 25.419 -18.936 242 HD22 LEU 27 HD22 LEU 27 -8.746 26.302 -17.438 243 HD23 LEU 27 HD23 LEU 27 -9.674 24.802 -17.408 244 HA PRO 28 HA PRO 28 -3.333 22.243 -21.022 245 HB2 PRO 28 HB2 PRO 28 -2.049 20.185 -19.804 246 HB3 PRO 28 HB3 PRO 28 -1.299 21.763 -20.068 247 HG2 PRO 28 HG2 PRO 28 -2.572 20.662 -17.593 248 HG3 PRO 28 HG3 PRO 28 -1.068 21.586 -17.761 249 HD2 PRO 28 HD2 PRO 28 -3.390 22.718 -16.952 250 HD3 PRO 28 HD3 PRO 28 -2.175 23.603 -17.895 251 H GLN 29 H GLN 29 -5.745 21.885 -21.109 252 HA GLN 29 HA GLN 29 -6.266 19.069 -21.138 253 HB2 GLN 29 HB2 GLN 29 -8.015 18.940 -19.559 254 HB3 GLN 29 HB3 GLN 29 -6.712 19.788 -18.737 255 HG2 GLN 29 HG2 GLN 29 -7.893 21.933 -19.447 256 HG3 GLN 29 HG3 GLN 29 -9.271 20.902 -19.827 257 HE21 GLN 29 HE21 GLN 29 -9.528 22.868 -17.973 258 HE22 GLN 29 HE22 GLN 29 -9.678 22.182 -16.395 259 H TYR 30 H TYR 30 -6.260 21.477 -22.882 260 HA TYR 30 HA TYR 30 -8.930 22.123 -23.583 261 HB2 TYR 30 HB2 TYR 30 -6.237 22.583 -24.740 262 HB3 TYR 30 HB3 TYR 30 -7.597 22.681 -25.854 263 HD1 TYR 30 HD1 TYR 30 -5.604 24.497 -23.612 264 HD2 TYR 30 HD2 TYR 30 -9.617 24.158 -24.985 265 HE1 TYR 30 HE1 TYR 30 -6.051 26.793 -22.854 266 HE2 TYR 30 HE2 TYR 30 -10.075 26.454 -24.231 267 HH TYR 30 HH TYR 30 -8.980 28.458 -23.662 268 H LEU 31 H LEU 31 -9.473 21.782 -26.093 269 HA LEU 31 HA LEU 31 -9.419 18.869 -26.506 270 HB2 LEU 31 HB2 LEU 31 -11.430 19.477 -28.039 271 HB3 LEU 31 HB3 LEU 31 -11.646 19.371 -26.293 272 HG LEU 31 HG LEU 31 -10.989 22.057 -27.284 273 HD11 LEU 31 HD11 LEU 31 -13.620 20.770 -27.998 274 HD12 LEU 31 HD12 LEU 31 -12.380 21.305 -29.132 275 HD13 LEU 31 HD13 LEU 31 -13.238 22.485 -28.142 276 HD21 LEU 31 HD21 LEU 31 -11.895 21.042 -24.967 277 HD22 LEU 31 HD22 LEU 31 -13.428 21.469 -25.729 278 HD23 LEU 31 HD23 LEU 31 -12.190 22.702 -25.483 279 H LYS 32 H LYS 32 -8.918 21.988 -28.020 280 HA LYS 32 HA LYS 32 -8.276 20.771 -30.585 281 HB2 LYS 32 HB2 LYS 32 -8.130 22.998 -31.442 282 HB3 LYS 32 HB3 LYS 32 -9.553 22.924 -30.411 283 HG2 LYS 32 HG2 LYS 32 -8.732 24.829 -29.565 284 HG3 LYS 32 HG3 LYS 32 -7.697 23.748 -28.630 285 HD2 LYS 32 HD2 LYS 32 -6.074 25.074 -29.503 286 HD3 LYS 32 HD3 LYS 32 -6.215 23.938 -30.847 287 HE2 LYS 32 HE2 LYS 32 -6.283 26.029 -31.875 288 HE3 LYS 32 HE3 LYS 32 -7.978 25.559 -31.768 289 HZ1 LYS 32 HZ1 LYS 32 -6.660 27.268 -29.739 290 HZ2 LYS 32 HZ2 LYS 32 -8.316 27.005 -29.957 291 HZ3 LYS 32 HZ3 LYS 32 -7.446 27.902 -31.096 Start of MODEL 8 1 H1 THR 2 H THR 2 3.837 -0.980 -0.642 2 HA THR 2 HA THR 2 4.033 -2.091 -2.724 3 HB THR 2 HB THR 2 1.631 -0.504 -3.638 4 HG1 THR 2 HG1 THR 2 0.420 -2.319 -3.182 5 HG21 THR 2 HG21 THR 2 2.869 -1.198 -5.521 6 HG22 THR 2 HG22 THR 2 1.588 -2.398 -5.348 7 HG23 THR 2 HG23 THR 2 3.225 -2.770 -4.809 8 H LYS 3 H LYS 3 3.898 1.133 -1.810 9 HA LYS 3 HA LYS 3 4.866 3.056 -2.559 10 HB2 LYS 3 HB2 LYS 3 6.843 1.512 -2.261 11 HB3 LYS 3 HB3 LYS 3 6.775 1.206 -3.992 12 HG2 LYS 3 HG2 LYS 3 7.563 3.275 -4.532 13 HG3 LYS 3 HG3 LYS 3 6.903 4.028 -3.078 14 HD2 LYS 3 HD2 LYS 3 9.120 2.025 -2.874 15 HD3 LYS 3 HD3 LYS 3 9.471 3.703 -3.295 16 HE2 LYS 3 HE2 LYS 3 7.873 4.105 -1.183 17 HE3 LYS 3 HE3 LYS 3 8.537 2.532 -0.742 18 HZ1 LYS 3 HZ1 LYS 3 9.757 4.676 -0.027 19 HZ2 LYS 3 HZ2 LYS 3 10.341 4.688 -1.614 20 HZ3 LYS 3 HZ3 LYS 3 10.661 3.368 -0.605 21 H LEU 4 H LEU 4 2.680 2.456 -4.043 22 HA LEU 4 HA LEU 4 3.274 3.770 -6.522 23 HB2 LEU 4 HB2 LEU 4 3.625 1.153 -6.729 24 HB3 LEU 4 HB3 LEU 4 1.872 1.177 -6.911 25 HG LEU 4 HG LEU 4 2.969 1.135 -9.077 26 HD11 LEU 4 HD11 LEU 4 1.758 2.876 -10.107 27 HD12 LEU 4 HD12 LEU 4 1.837 3.889 -8.665 28 HD13 LEU 4 HD13 LEU 4 0.839 2.434 -8.667 29 HD21 LEU 4 HD21 LEU 4 4.990 2.471 -8.066 30 HD22 LEU 4 HD22 LEU 4 4.085 3.866 -8.655 31 HD23 LEU 4 HD23 LEU 4 4.586 2.601 -9.778 32 H THR 5 H THR 5 0.752 1.641 -5.160 33 HA THR 5 HA THR 5 -1.460 2.916 -6.204 34 HB THR 5 HB THR 5 -1.629 1.894 -3.402 35 HG1 THR 5 HG1 THR 5 -1.139 0.281 -5.704 36 HG21 THR 5 HG21 THR 5 -3.329 1.031 -5.700 37 HG22 THR 5 HG22 THR 5 -3.546 2.650 -5.033 38 HG23 THR 5 HG23 THR 5 -3.754 1.235 -4.001 39 H GLU 6 H GLU 6 0.245 3.617 -3.171 40 HA GLU 6 HA GLU 6 -1.484 5.620 -2.240 41 HB2 GLU 6 HB2 GLU 6 1.357 4.876 -1.712 42 HB3 GLU 6 HB3 GLU 6 0.777 6.428 -1.125 43 HG2 GLU 6 HG2 GLU 6 -0.551 5.498 0.448 44 HG3 GLU 6 HG3 GLU 6 -0.911 4.080 -0.536 45 H GLU 7 H GLU 7 1.651 5.995 -3.906 46 HA GLU 7 HA GLU 7 1.617 8.740 -4.210 47 HB2 GLU 7 HB2 GLU 7 2.829 6.534 -5.844 48 HB3 GLU 7 HB3 GLU 7 2.974 8.207 -6.364 49 HG2 GLU 7 HG2 GLU 7 3.696 8.241 -3.682 50 HG3 GLU 7 HG3 GLU 7 4.430 6.776 -4.331 51 H GLU 8 H GLU 8 0.560 6.344 -6.636 52 HA GLU 8 HA GLU 8 -0.431 8.111 -8.521 53 HB2 GLU 8 HB2 GLU 8 -0.168 5.542 -8.623 54 HB3 GLU 8 HB3 GLU 8 -1.789 5.492 -7.943 55 HG2 GLU 8 HG2 GLU 8 -1.880 5.268 -10.342 56 HG3 GLU 8 HG3 GLU 8 -2.622 6.787 -9.844 57 H LYS 9 H LYS 9 -1.955 6.862 -5.608 58 HA LYS 9 HA LYS 9 -4.538 7.944 -6.171 59 HB2 LYS 9 HB2 LYS 9 -4.339 6.056 -4.677 60 HB3 LYS 9 HB3 LYS 9 -3.283 6.965 -3.603 61 HG2 LYS 9 HG2 LYS 9 -5.778 8.348 -3.988 62 HG3 LYS 9 HG3 LYS 9 -6.049 6.696 -3.429 63 HD2 LYS 9 HD2 LYS 9 -4.985 7.054 -1.430 64 HD3 LYS 9 HD3 LYS 9 -3.943 8.318 -2.088 65 HE2 LYS 9 HE2 LYS 9 -5.822 9.859 -2.148 66 HE3 LYS 9 HE3 LYS 9 -6.901 8.594 -1.562 67 HZ1 LYS 9 HZ1 LYS 9 -6.177 10.121 0.197 68 HZ2 LYS 9 HZ2 LYS 9 -4.570 9.659 -0.061 69 HZ3 LYS 9 HZ3 LYS 9 -5.695 8.528 0.502 70 H ASN 10 H ASN 10 -1.629 9.151 -4.714 71 HA ASN 10 HA ASN 10 -2.841 11.362 -3.363 72 HB2 ASN 10 HB2 ASN 10 0.040 10.949 -4.194 73 HB3 ASN 10 HB3 ASN 10 -0.539 12.162 -3.057 74 HD21 ASN 10 HD21 ASN 10 1.364 9.957 -2.712 75 HD22 ASN 10 HD22 ASN 10 0.755 9.016 -1.397 76 H ARG 11 H ARG 11 -1.188 10.922 -6.462 77 HA ARG 11 HA ARG 11 -0.998 13.544 -7.302 78 HB2 ARG 11 HB2 ARG 11 -0.111 11.513 -8.488 79 HB3 ARG 11 HB3 ARG 11 -1.741 11.217 -9.079 80 HG2 ARG 11 HG2 ARG 11 -1.205 13.877 -9.721 81 HG3 ARG 11 HG3 ARG 11 0.279 12.996 -10.088 82 HD2 ARG 11 HD2 ARG 11 -0.972 11.422 -11.456 83 HD3 ARG 11 HD3 ARG 11 -2.479 12.241 -11.048 84 HE ARG 11 HE ARG 11 -0.836 14.162 -12.155 85 HH11 ARG 11 HH11 ARG 11 -2.347 11.584 -14.820 86 HH12 ARG 11 HH12 ARG 11 -2.253 11.141 -13.148 87 HH21 ARG 11 HH21 ARG 11 -1.606 13.641 -15.505 88 HH22 ARG 11 HH22 ARG 11 -0.954 14.758 -14.354 89 H LEU 12 H LEU 12 -3.793 11.408 -7.326 90 HA LEU 12 HA LEU 12 -5.477 13.046 -8.898 91 HB2 LEU 12 HB2 LEU 12 -6.504 11.242 -6.743 92 HB3 LEU 12 HB3 LEU 12 -7.209 11.605 -8.317 93 HG LEU 12 HG LEU 12 -4.845 9.822 -7.746 94 HD11 LEU 12 HD11 LEU 12 -7.115 8.818 -9.285 95 HD12 LEU 12 HD12 LEU 12 -7.517 9.262 -7.627 96 HD13 LEU 12 HD13 LEU 12 -6.240 8.087 -7.940 97 HD21 LEU 12 HD21 LEU 12 -5.415 9.445 -10.363 98 HD22 LEU 12 HD22 LEU 12 -4.142 10.511 -9.768 99 HD23 LEU 12 HD23 LEU 12 -5.716 11.176 -10.207 100 H ASN 13 H ASN 13 -4.689 12.991 -5.489 101 HA ASN 13 HA ASN 13 -6.783 14.847 -4.775 102 HB2 ASN 13 HB2 ASN 13 -4.506 13.575 -3.269 103 HB3 ASN 13 HB3 ASN 13 -5.479 14.856 -2.552 104 HD21 ASN 13 HD21 ASN 13 -6.273 12.072 -4.600 105 HD22 ASN 13 HD22 ASN 13 -7.445 11.399 -3.524 106 H PHE 14 H PHE 14 -3.244 14.935 -5.064 107 HA PHE 14 HA PHE 14 -2.900 17.620 -4.332 108 HB2 PHE 14 HB2 PHE 14 -0.961 16.269 -4.367 109 HB3 PHE 14 HB3 PHE 14 -1.262 15.738 -6.019 110 HD1 PHE 14 HD1 PHE 14 -0.280 16.842 -7.815 111 HD2 PHE 14 HD2 PHE 14 -0.378 18.720 -3.996 112 HE1 PHE 14 HE1 PHE 14 1.192 18.624 -8.657 113 HE2 PHE 14 HE2 PHE 14 1.093 20.506 -4.833 114 HZ PHE 14 HZ PHE 14 1.880 20.460 -7.166 115 H LEU 15 H LEU 15 -3.349 16.126 -7.518 116 HA LEU 15 HA LEU 15 -3.085 18.452 -9.056 117 HB2 LEU 15 HB2 LEU 15 -3.193 15.996 -9.790 118 HB3 LEU 15 HB3 LEU 15 -4.943 16.202 -9.757 119 HG LEU 15 HG LEU 15 -4.807 17.902 -11.479 120 HD11 LEU 15 HD11 LEU 15 -2.809 19.038 -11.122 121 HD12 LEU 15 HD12 LEU 15 -2.517 18.153 -12.619 122 HD13 LEU 15 HD13 LEU 15 -1.856 17.554 -11.098 123 HD21 LEU 15 HD21 LEU 15 -5.097 15.894 -12.531 124 HD22 LEU 15 HD22 LEU 15 -3.582 15.227 -11.922 125 HD23 LEU 15 HD23 LEU 15 -3.565 16.392 -13.247 126 H LYS 16 H LYS 16 -5.989 16.907 -7.709 127 HA LYS 16 HA LYS 16 -7.792 18.871 -8.690 128 HB2 LYS 16 HB2 LYS 16 -8.086 16.891 -6.424 129 HB3 LYS 16 HB3 LYS 16 -9.399 17.852 -7.090 130 HG2 LYS 16 HG2 LYS 16 -7.836 16.201 -8.985 131 HG3 LYS 16 HG3 LYS 16 -8.909 15.360 -7.863 132 HD2 LYS 16 HD2 LYS 16 -10.323 15.737 -9.642 133 HD3 LYS 16 HD3 LYS 16 -10.646 17.155 -8.641 134 HE2 LYS 16 HE2 LYS 16 -10.025 18.489 -10.302 135 HE3 LYS 16 HE3 LYS 16 -8.434 17.730 -10.339 136 HZ1 LYS 16 HZ1 LYS 16 -10.029 15.931 -11.600 137 HZ2 LYS 16 HZ2 LYS 16 -9.011 17.046 -12.362 138 HZ3 LYS 16 HZ3 LYS 16 -10.647 17.413 -12.134 139 H LYS 17 H LYS 17 -5.769 18.647 -5.882 140 HA LYS 17 HA LYS 17 -7.142 20.641 -4.349 141 HB2 LYS 17 HB2 LYS 17 -5.689 18.860 -3.361 142 HB3 LYS 17 HB3 LYS 17 -4.293 19.674 -4.055 143 HG2 LYS 17 HG2 LYS 17 -4.273 21.267 -2.475 144 HG3 LYS 17 HG3 LYS 17 -6.034 21.380 -2.418 145 HD2 LYS 17 HD2 LYS 17 -5.805 18.997 -1.306 146 HD3 LYS 17 HD3 LYS 17 -4.190 19.590 -0.912 147 HE2 LYS 17 HE2 LYS 17 -5.877 21.703 -0.282 148 HE3 LYS 17 HE3 LYS 17 -6.753 20.271 0.255 149 HZ1 LYS 17 HZ1 LYS 17 -4.608 19.609 1.379 150 HZ2 LYS 17 HZ2 LYS 17 -5.432 20.921 2.058 151 HZ3 LYS 17 HZ3 LYS 17 -4.067 21.187 1.094 152 H ILE 18 H ILE 18 -4.294 20.599 -6.450 153 HA ILE 18 HA ILE 18 -3.784 23.413 -6.053 154 HB ILE 18 HB ILE 18 -1.970 23.161 -7.612 155 HG12 ILE 18 HG12 ILE 18 -3.120 20.421 -8.185 156 HG13 ILE 18 HG13 ILE 18 -3.092 21.788 -9.293 157 HG21 ILE 18 HG21 ILE 18 -1.570 20.576 -6.339 158 HG22 ILE 18 HG22 ILE 18 -0.693 22.091 -6.128 159 HG23 ILE 18 HG23 ILE 18 -2.182 21.801 -5.229 160 HD11 ILE 18 HD11 ILE 18 -0.438 21.332 -8.442 161 HD12 ILE 18 HD12 ILE 18 -1.136 19.777 -8.898 162 HD13 ILE 18 HD13 ILE 18 -1.133 21.113 -10.048 163 H SER 19 H SER 19 -5.506 21.412 -8.310 164 HA SER 19 HA SER 19 -5.624 23.091 -10.531 165 HB2 SER 19 HB2 SER 19 -6.595 21.128 -11.119 166 HB3 SER 19 HB3 SER 19 -7.201 20.828 -9.490 167 HG SER 19 HG SER 19 -9.047 21.654 -10.049 168 H GLN 20 H GLN 20 -7.469 23.121 -7.542 169 HA GLN 20 HA GLN 20 -9.550 24.806 -8.192 170 HB2 GLN 20 HB2 GLN 20 -8.002 24.895 -5.599 171 HB3 GLN 20 HB3 GLN 20 -9.674 25.382 -5.848 172 HG2 GLN 20 HG2 GLN 20 -8.541 22.600 -5.952 173 HG3 GLN 20 HG3 GLN 20 -9.674 23.262 -4.775 174 HE21 GLN 20 HE21 GLN 20 -10.060 20.920 -6.324 175 HE22 GLN 20 HE22 GLN 20 -11.433 21.184 -7.340 176 H ARG 21 H ARG 21 -6.182 25.563 -7.721 177 HA ARG 21 HA ARG 21 -6.756 28.434 -7.939 178 HB2 ARG 21 HB2 ARG 21 -5.312 28.207 -6.150 179 HB3 ARG 21 HB3 ARG 21 -4.462 26.847 -6.873 180 HG2 ARG 21 HG2 ARG 21 -4.192 29.391 -8.315 181 HG3 ARG 21 HG3 ARG 21 -3.474 29.353 -6.703 182 HD2 ARG 21 HD2 ARG 21 -2.968 27.070 -8.545 183 HD3 ARG 21 HD3 ARG 21 -2.120 28.589 -8.834 184 HE ARG 21 HE ARG 21 -1.678 26.733 -6.677 185 HH11 ARG 21 HH11 ARG 21 0.001 30.367 -6.691 186 HH12 ARG 21 HH12 ARG 21 -1.313 30.020 -7.765 187 HH21 ARG 21 HH21 ARG 21 0.778 28.750 -5.267 188 HH22 ARG 21 HH22 ARG 21 0.052 27.178 -5.259 189 H TYR 22 H TYR 22 -4.846 25.842 -9.408 190 HA TYR 22 HA TYR 22 -3.817 27.537 -11.489 191 HB2 TYR 22 HB2 TYR 22 -3.231 24.963 -10.467 192 HB3 TYR 22 HB3 TYR 22 -3.645 24.754 -12.165 193 HD1 TYR 22 HD1 TYR 22 -1.554 24.272 -13.120 194 HD2 TYR 22 HD2 TYR 22 -1.968 27.674 -10.599 195 HE1 TYR 22 HE1 TYR 22 0.700 25.016 -13.764 196 HE2 TYR 22 HE2 TYR 22 0.284 28.428 -11.237 197 HH TYR 22 HH TYR 22 1.851 28.098 -13.195 198 H GLN 23 H GLN 23 -6.080 28.276 -12.026 199 HA GLN 23 HA GLN 23 -7.018 26.733 -14.311 200 HB2 GLN 23 HB2 GLN 23 -9.322 26.745 -13.646 201 HB3 GLN 23 HB3 GLN 23 -8.386 26.018 -12.347 202 HG2 GLN 23 HG2 GLN 23 -9.143 27.505 -10.899 203 HG3 GLN 23 HG3 GLN 23 -8.600 28.838 -11.917 204 HE21 GLN 23 HE21 GLN 23 -10.159 28.592 -14.114 205 HE22 GLN 23 HE22 GLN 23 -11.821 28.822 -13.701 206 H LYS 24 H LYS 24 -5.765 29.438 -13.440 207 HA LYS 24 HA LYS 24 -7.464 31.069 -15.202 208 HB2 LYS 24 HB2 LYS 24 -6.944 33.044 -13.805 209 HB3 LYS 24 HB3 LYS 24 -7.872 31.827 -12.937 210 HG2 LYS 24 HG2 LYS 24 -5.847 31.054 -11.829 211 HG3 LYS 24 HG3 LYS 24 -4.897 32.246 -12.718 212 HD2 LYS 24 HD2 LYS 24 -6.098 34.054 -11.647 213 HD3 LYS 24 HD3 LYS 24 -7.159 32.903 -10.832 214 HE2 LYS 24 HE2 LYS 24 -5.128 31.953 -9.720 215 HE3 LYS 24 HE3 LYS 24 -4.198 33.281 -10.412 216 HZ1 LYS 24 HZ1 LYS 24 -4.872 34.611 -8.793 217 HZ2 LYS 24 HZ2 LYS 24 -5.615 33.290 -8.041 218 HZ3 LYS 24 HZ3 LYS 24 -6.502 34.270 -9.098 219 H PHE 25 H PHE 25 -4.260 30.459 -13.873 220 HA PHE 25 HA PHE 25 -2.720 32.322 -15.149 221 HB2 PHE 25 HB2 PHE 25 -0.870 30.793 -14.974 222 HB3 PHE 25 HB3 PHE 25 -1.902 30.561 -13.567 223 HD1 PHE 25 HD1 PHE 25 -0.220 28.972 -16.232 224 HD2 PHE 25 HD2 PHE 25 -3.649 28.654 -13.731 225 HE1 PHE 25 HE1 PHE 25 -0.365 26.569 -16.742 226 HE2 PHE 25 HE2 PHE 25 -3.799 26.251 -14.236 227 HZ PHE 25 HZ PHE 25 -2.156 25.205 -15.743 228 H ALA 26 H ALA 26 -4.179 29.439 -16.521 229 HA ALA 26 HA ALA 26 -4.243 30.422 -19.132 230 HB1 ALA 26 HB1 ALA 26 -1.735 29.099 -18.386 231 HB2 ALA 26 HB2 ALA 26 -2.480 28.486 -19.863 232 HB3 ALA 26 HB3 ALA 26 -2.089 30.199 -19.719 233 H LEU 27 H LEU 27 -4.088 27.628 -17.021 234 HA LEU 27 HA LEU 27 -5.180 25.630 -17.013 235 HB2 LEU 27 HB2 LEU 27 -7.030 27.571 -17.219 236 HB3 LEU 27 HB3 LEU 27 -7.385 26.661 -18.686 237 HG LEU 27 HG LEU 27 -7.294 25.408 -15.948 238 HD11 LEU 27 HD11 LEU 27 -9.032 26.991 -15.790 239 HD12 LEU 27 HD12 LEU 27 -9.814 25.457 -16.171 240 HD13 LEU 27 HD13 LEU 27 -9.584 26.666 -17.434 241 HD21 LEU 27 HD21 LEU 27 -7.309 24.297 -18.484 242 HD22 LEU 27 HD22 LEU 27 -8.996 24.225 -17.975 243 HD23 LEU 27 HD23 LEU 27 -7.741 23.485 -16.979 244 HA PRO 28 HA PRO 28 -3.801 24.669 -21.344 245 HB2 PRO 28 HB2 PRO 28 -2.015 22.764 -20.601 246 HB3 PRO 28 HB3 PRO 28 -1.607 24.481 -20.685 247 HG2 PRO 28 HG2 PRO 28 -2.328 22.821 -18.301 248 HG3 PRO 28 HG3 PRO 28 -1.053 24.042 -18.470 249 HD2 PRO 28 HD2 PRO 28 -3.421 24.564 -17.264 250 HD3 PRO 28 HD3 PRO 28 -2.519 25.795 -18.172 251 H GLN 29 H GLN 29 -6.114 23.856 -21.194 252 HA GLN 29 HA GLN 29 -6.076 20.977 -21.500 253 HB2 GLN 29 HB2 GLN 29 -7.466 22.358 -19.261 254 HB3 GLN 29 HB3 GLN 29 -8.310 21.029 -20.043 255 HG2 GLN 29 HG2 GLN 29 -7.120 19.553 -18.911 256 HG3 GLN 29 HG3 GLN 29 -5.618 20.246 -19.520 257 HE21 GLN 29 HE21 GLN 29 -5.608 22.712 -18.389 258 HE22 GLN 29 HE22 GLN 29 -5.519 22.579 -16.669 259 H TYR 30 H TYR 30 -6.469 21.597 -23.685 260 HA TYR 30 HA TYR 30 -9.266 22.383 -24.169 261 HB2 TYR 30 HB2 TYR 30 -7.162 23.008 -26.194 262 HB3 TYR 30 HB3 TYR 30 -8.686 23.828 -25.873 263 HD1 TYR 30 HD1 TYR 30 -5.165 23.879 -25.363 264 HD2 TYR 30 HD2 TYR 30 -8.852 25.160 -23.670 265 HE1 TYR 30 HE1 TYR 30 -3.965 25.578 -24.050 266 HE2 TYR 30 HE2 TYR 30 -7.662 26.863 -22.353 267 HH TYR 30 HH TYR 30 -5.287 28.147 -22.722 268 H LEU 31 H LEU 31 -6.449 20.622 -25.385 269 HA LEU 31 HA LEU 31 -8.021 19.215 -27.362 270 HB2 LEU 31 HB2 LEU 31 -5.291 18.321 -26.611 271 HB3 LEU 31 HB3 LEU 31 -6.047 18.425 -28.200 272 HG LEU 31 HG LEU 31 -5.834 21.054 -27.559 273 HD11 LEU 31 HD11 LEU 31 -4.575 21.137 -25.683 274 HD12 LEU 31 HD12 LEU 31 -3.259 20.989 -26.847 275 HD13 LEU 31 HD13 LEU 31 -3.830 19.565 -25.977 276 HD21 LEU 31 HD21 LEU 31 -3.997 19.181 -29.013 277 HD22 LEU 31 HD22 LEU 31 -3.672 20.913 -28.937 278 HD23 LEU 31 HD23 LEU 31 -5.165 20.326 -29.672 279 H LYS 32 H LYS 32 -6.344 18.423 -24.336 280 HA LYS 32 HA LYS 32 -6.616 16.729 -22.843 281 HB2 LYS 32 HB2 LYS 32 -9.169 17.424 -23.629 282 HB3 LYS 32 HB3 LYS 32 -9.139 15.686 -23.894 283 HG2 LYS 32 HG2 LYS 32 -8.095 16.707 -21.313 284 HG3 LYS 32 HG3 LYS 32 -9.840 16.743 -21.577 285 HD2 LYS 32 HD2 LYS 32 -10.006 14.449 -21.686 286 HD3 LYS 32 HD3 LYS 32 -8.330 14.246 -22.199 287 HE2 LYS 32 HE2 LYS 32 -8.818 15.382 -19.501 288 HE3 LYS 32 HE3 LYS 32 -9.150 13.667 -19.735 289 HZ1 LYS 32 HZ1 LYS 32 -6.994 13.234 -19.664 290 HZ2 LYS 32 HZ2 LYS 32 -6.693 14.855 -19.285 291 HZ3 LYS 32 HZ3 LYS 32 -6.664 14.345 -20.898 Start of MODEL 9 1 H1 THR 2 H THR 2 3.835 -1.695 0.048 2 HA THR 2 HA THR 2 3.679 -1.379 -2.875 3 HB THR 2 HB THR 2 1.438 -0.194 -1.404 4 HG1 THR 2 HG1 THR 2 1.544 -3.030 -1.641 5 HG21 THR 2 HG21 THR 2 1.408 -0.199 -3.788 6 HG22 THR 2 HG22 THR 2 0.186 -1.355 -3.257 7 HG23 THR 2 HG23 THR 2 1.744 -1.929 -3.850 8 H LYS 3 H LYS 3 3.141 0.903 -3.511 9 HA LYS 3 HA LYS 3 3.435 3.084 -1.792 10 HB2 LYS 3 HB2 LYS 3 5.864 1.786 -2.134 11 HB3 LYS 3 HB3 LYS 3 5.942 3.118 -3.280 12 HG2 LYS 3 HG2 LYS 3 5.997 4.697 -1.657 13 HG3 LYS 3 HG3 LYS 3 5.003 3.751 -0.547 14 HD2 LYS 3 HD2 LYS 3 7.007 2.203 -0.314 15 HD3 LYS 3 HD3 LYS 3 7.940 3.458 -1.134 16 HE2 LYS 3 HE2 LYS 3 8.265 3.889 1.141 17 HE3 LYS 3 HE3 LYS 3 7.025 5.044 0.654 18 HZ1 LYS 3 HZ1 LYS 3 6.873 2.892 2.542 19 HZ2 LYS 3 HZ2 LYS 3 5.601 2.865 1.428 20 HZ3 LYS 3 HZ3 LYS 3 5.874 4.246 2.367 21 H LEU 4 H LEU 4 3.960 1.746 -4.992 22 HA LEU 4 HA LEU 4 3.928 4.160 -6.442 23 HB2 LEU 4 HB2 LEU 4 3.330 1.310 -7.141 24 HB3 LEU 4 HB3 LEU 4 3.096 2.597 -8.322 25 HG LEU 4 HG LEU 4 5.740 2.579 -7.044 26 HD11 LEU 4 HD11 LEU 4 5.162 0.418 -9.042 27 HD12 LEU 4 HD12 LEU 4 5.087 0.123 -7.305 28 HD13 LEU 4 HD13 LEU 4 6.599 0.650 -8.045 29 HD21 LEU 4 HD21 LEU 4 5.064 4.036 -8.929 30 HD22 LEU 4 HD22 LEU 4 4.874 2.598 -9.932 31 HD23 LEU 4 HD23 LEU 4 6.463 3.026 -9.296 32 H THR 5 H THR 5 1.337 1.901 -5.569 33 HA THR 5 HA THR 5 -0.760 3.133 -6.932 34 HB THR 5 HB THR 5 -1.228 1.907 -4.238 35 HG1 THR 5 HG1 THR 5 -0.622 0.440 -6.607 36 HG21 THR 5 HG21 THR 5 -2.649 1.738 -6.898 37 HG22 THR 5 HG22 THR 5 -3.157 2.680 -5.496 38 HG23 THR 5 HG23 THR 5 -3.155 0.918 -5.422 39 H GLU 6 H GLU 6 0.281 3.597 -3.555 40 HA GLU 6 HA GLU 6 -1.585 5.518 -2.824 41 HB2 GLU 6 HB2 GLU 6 1.292 5.411 -1.906 42 HB3 GLU 6 HB3 GLU 6 -0.059 6.141 -1.050 43 HG2 GLU 6 HG2 GLU 6 -1.097 3.859 -0.948 44 HG3 GLU 6 HG3 GLU 6 0.425 3.222 -1.568 45 H GLU 7 H GLU 7 1.773 6.139 -3.869 46 HA GLU 7 HA GLU 7 1.632 8.890 -4.037 47 HB2 GLU 7 HB2 GLU 7 3.257 6.841 -5.501 48 HB3 GLU 7 HB3 GLU 7 3.380 8.536 -5.948 49 HG2 GLU 7 HG2 GLU 7 3.584 8.190 -3.091 50 HG3 GLU 7 HG3 GLU 7 4.784 7.225 -3.948 51 H GLU 8 H GLU 8 1.163 6.595 -6.730 52 HA GLU 8 HA GLU 8 0.445 8.420 -8.682 53 HB2 GLU 8 HB2 GLU 8 0.853 5.888 -8.878 54 HB3 GLU 8 HB3 GLU 8 -0.846 5.710 -8.462 55 HG2 GLU 8 HG2 GLU 8 -1.572 6.572 -10.448 56 HG3 GLU 8 HG3 GLU 8 -0.118 7.540 -10.686 57 H LYS 9 H LYS 9 -1.524 6.954 -6.162 58 HA LYS 9 HA LYS 9 -4.009 7.970 -7.138 59 HB2 LYS 9 HB2 LYS 9 -3.962 6.001 -5.716 60 HB3 LYS 9 HB3 LYS 9 -3.217 6.921 -4.416 61 HG2 LYS 9 HG2 LYS 9 -5.645 8.201 -5.217 62 HG3 LYS 9 HG3 LYS 9 -5.951 6.494 -4.890 63 HD2 LYS 9 HD2 LYS 9 -5.376 6.675 -2.678 64 HD3 LYS 9 HD3 LYS 9 -4.277 8.026 -2.963 65 HE2 LYS 9 HE2 LYS 9 -6.420 9.341 -3.555 66 HE3 LYS 9 HE3 LYS 9 -7.264 8.038 -2.721 67 HZ1 LYS 9 HZ1 LYS 9 -6.758 9.931 -1.268 68 HZ2 LYS 9 HZ2 LYS 9 -5.105 9.689 -1.526 69 HZ3 LYS 9 HZ3 LYS 9 -6.019 8.506 -0.735 70 H ASN 10 H ASN 10 -1.476 9.196 -5.105 71 HA ASN 10 HA ASN 10 -3.018 11.283 -3.902 72 HB2 ASN 10 HB2 ASN 10 -0.014 11.051 -4.193 73 HB3 ASN 10 HB3 ASN 10 -0.872 12.131 -3.098 74 HD21 ASN 10 HD21 ASN 10 1.073 10.017 -2.548 75 HD22 ASN 10 HD22 ASN 10 0.292 8.930 -1.456 76 H ARG 11 H ARG 11 -0.801 11.072 -6.651 77 HA ARG 11 HA ARG 11 -0.561 13.738 -7.313 78 HB2 ARG 11 HB2 ARG 11 0.611 11.818 -8.418 79 HB3 ARG 11 HB3 ARG 11 -0.874 11.482 -9.298 80 HG2 ARG 11 HG2 ARG 11 -0.535 14.100 -9.875 81 HG3 ARG 11 HG3 ARG 11 1.142 13.573 -9.716 82 HD2 ARG 11 HD2 ARG 11 -0.627 11.798 -11.270 83 HD3 ARG 11 HD3 ARG 11 -0.295 13.373 -11.991 84 HE ARG 11 HE ARG 11 2.123 12.244 -11.126 85 HH11 ARG 11 HH11 ARG 11 0.736 11.031 -14.680 86 HH12 ARG 11 HH12 ARG 11 -0.342 11.760 -13.536 87 HH21 ARG 11 HH21 ARG 11 2.951 10.762 -14.160 88 HH22 ARG 11 HH22 ARG 11 3.552 11.287 -12.623 89 H LEU 12 H LEU 12 -3.205 11.515 -8.019 90 HA LEU 12 HA LEU 12 -4.636 13.212 -9.762 91 HB2 LEU 12 HB2 LEU 12 -5.982 11.236 -7.965 92 HB3 LEU 12 HB3 LEU 12 -6.375 11.678 -9.625 93 HG LEU 12 HG LEU 12 -4.110 9.925 -8.686 94 HD11 LEU 12 HD11 LEU 12 -6.531 9.075 -8.895 95 HD12 LEU 12 HD12 LEU 12 -5.243 8.156 -9.674 96 HD13 LEU 12 HD13 LEU 12 -6.272 9.219 -10.634 97 HD21 LEU 12 HD21 LEU 12 -3.202 11.186 -10.466 98 HD22 LEU 12 HD22 LEU 12 -4.698 11.090 -11.397 99 HD23 LEU 12 HD23 LEU 12 -3.707 9.648 -11.167 100 H ASN 13 H ASN 13 -4.484 12.956 -6.280 101 HA ASN 13 HA ASN 13 -6.761 14.683 -5.857 102 HB2 ASN 13 HB2 ASN 13 -4.747 13.384 -4.035 103 HB3 ASN 13 HB3 ASN 13 -5.886 14.584 -3.432 104 HD21 ASN 13 HD21 ASN 13 -6.194 11.938 -5.771 105 HD22 ASN 13 HD22 ASN 13 -7.508 11.154 -4.968 106 H PHE 14 H PHE 14 -3.240 14.921 -5.675 107 HA PHE 14 HA PHE 14 -3.143 17.554 -4.654 108 HB2 PHE 14 HB2 PHE 14 -1.171 16.249 -4.459 109 HB3 PHE 14 HB3 PHE 14 -1.158 15.875 -6.179 110 HD1 PHE 14 HD1 PHE 14 -0.857 18.720 -3.805 111 HD2 PHE 14 HD2 PHE 14 0.140 17.131 -7.626 112 HE1 PHE 14 HE1 PHE 14 0.648 20.626 -4.201 113 HE2 PHE 14 HE2 PHE 14 1.647 19.033 -8.028 114 HZ PHE 14 HZ PHE 14 1.903 20.784 -6.314 115 H LEU 15 H LEU 15 -3.088 16.261 -7.948 116 HA LEU 15 HA LEU 15 -2.686 18.741 -9.248 117 HB2 LEU 15 HB2 LEU 15 -2.595 16.206 -10.065 118 HB3 LEU 15 HB3 LEU 15 -4.225 16.602 -10.607 119 HG LEU 15 HG LEU 15 -2.787 16.927 -12.458 120 HD11 LEU 15 HD11 LEU 15 -3.231 19.151 -13.036 121 HD12 LEU 15 HD12 LEU 15 -3.110 19.704 -11.365 122 HD13 LEU 15 HD13 LEU 15 -4.492 18.733 -11.875 123 HD21 LEU 15 HD21 LEU 15 -0.941 17.896 -10.419 124 HD22 LEU 15 HD22 LEU 15 -0.969 18.898 -11.869 125 HD23 LEU 15 HD23 LEU 15 -0.615 17.175 -11.995 126 H LYS 16 H LYS 16 -5.594 16.918 -8.394 127 HA LYS 16 HA LYS 16 -7.388 18.776 -9.629 128 HB2 LYS 16 HB2 LYS 16 -7.840 16.560 -7.625 129 HB3 LYS 16 HB3 LYS 16 -9.135 17.507 -8.345 130 HG2 LYS 16 HG2 LYS 16 -7.215 16.188 -10.179 131 HG3 LYS 16 HG3 LYS 16 -8.378 15.169 -9.326 132 HD2 LYS 16 HD2 LYS 16 -9.173 17.621 -10.882 133 HD3 LYS 16 HD3 LYS 16 -9.099 16.009 -11.598 134 HE2 LYS 16 HE2 LYS 16 -10.641 15.280 -9.705 135 HE3 LYS 16 HE3 LYS 16 -10.890 16.998 -9.394 136 HZ1 LYS 16 HZ1 LYS 16 -12.614 16.126 -10.825 137 HZ2 LYS 16 HZ2 LYS 16 -11.466 15.589 -11.945 138 HZ3 LYS 16 HZ3 LYS 16 -11.675 17.246 -11.676 139 H LYS 17 H LYS 17 -5.841 18.516 -6.545 140 HA LYS 17 HA LYS 17 -7.649 20.258 -5.152 141 HB2 LYS 17 HB2 LYS 17 -6.321 18.566 -3.962 142 HB3 LYS 17 HB3 LYS 17 -4.841 19.382 -4.447 143 HG2 LYS 17 HG2 LYS 17 -5.038 20.276 -2.385 144 HG3 LYS 17 HG3 LYS 17 -6.063 21.426 -3.247 145 HD2 LYS 17 HD2 LYS 17 -7.826 19.424 -2.644 146 HD3 LYS 17 HD3 LYS 17 -6.762 19.416 -1.235 147 HE2 LYS 17 HE2 LYS 17 -7.170 22.077 -1.566 148 HE3 LYS 17 HE3 LYS 17 -8.708 21.431 -2.136 149 HZ1 LYS 17 HZ1 LYS 17 -7.686 21.601 0.529 150 HZ2 LYS 17 HZ2 LYS 17 -8.207 20.037 0.152 151 HZ3 LYS 17 HZ3 LYS 17 -9.271 21.343 -0.001 152 H ILE 18 H ILE 18 -4.673 20.614 -6.961 153 HA ILE 18 HA ILE 18 -4.439 23.424 -6.222 154 HB ILE 18 HB ILE 18 -2.361 23.437 -7.440 155 HG12 ILE 18 HG12 ILE 18 -3.135 20.651 -8.327 156 HG13 ILE 18 HG13 ILE 18 -2.986 22.074 -9.352 157 HG21 ILE 18 HG21 ILE 18 -1.331 22.482 -5.719 158 HG22 ILE 18 HG22 ILE 18 -2.892 21.835 -5.216 159 HG23 ILE 18 HG23 ILE 18 -1.829 20.874 -6.244 160 HD11 ILE 18 HD11 ILE 18 -0.986 20.188 -8.547 161 HD12 ILE 18 HD12 ILE 18 -0.896 21.479 -9.746 162 HD13 ILE 18 HD13 ILE 18 -0.526 21.818 -8.055 163 H SER 19 H SER 19 -5.417 21.416 -8.905 164 HA SER 19 HA SER 19 -5.333 23.227 -11.003 165 HB2 SER 19 HB2 SER 19 -5.940 21.190 -11.822 166 HB3 SER 19 HB3 SER 19 -6.880 20.778 -10.388 167 HG SER 19 HG SER 19 -8.405 21.099 -11.882 168 H GLN 20 H GLN 20 -7.545 23.016 -8.323 169 HA GLN 20 HA GLN 20 -9.675 24.526 -9.331 170 HB2 GLN 20 HB2 GLN 20 -8.783 23.569 -6.741 171 HB3 GLN 20 HB3 GLN 20 -9.513 25.164 -6.622 172 HG2 GLN 20 HG2 GLN 20 -11.028 23.139 -6.334 173 HG3 GLN 20 HG3 GLN 20 -11.568 24.420 -7.418 174 HE21 GLN 20 HE21 GLN 20 -10.368 21.169 -7.188 175 HE22 GLN 20 HE22 GLN 20 -10.747 20.697 -8.806 176 H ARG 21 H ARG 21 -6.570 25.479 -8.047 177 HA ARG 21 HA ARG 21 -7.336 28.308 -8.237 178 HB2 ARG 21 HB2 ARG 21 -5.412 28.801 -6.871 179 HB3 ARG 21 HB3 ARG 21 -6.335 27.517 -6.102 180 HG2 ARG 21 HG2 ARG 21 -4.757 25.878 -6.713 181 HG3 ARG 21 HG3 ARG 21 -3.955 26.967 -7.846 182 HD2 ARG 21 HD2 ARG 21 -3.888 28.280 -5.381 183 HD3 ARG 21 HD3 ARG 21 -3.509 26.596 -5.020 184 HE ARG 21 HE ARG 21 -1.994 27.387 -7.234 185 HH11 ARG 21 HH11 ARG 21 -0.589 28.466 -3.644 186 HH12 ARG 21 HH12 ARG 21 -2.261 28.051 -3.827 187 HH21 ARG 21 HH21 ARG 21 0.815 28.397 -5.453 188 HH22 ARG 21 HH22 ARG 21 0.210 27.930 -7.006 189 H TYR 22 H TYR 22 -5.273 25.866 -9.596 190 HA TYR 22 HA TYR 22 -3.796 27.827 -11.176 191 HB2 TYR 22 HB2 TYR 22 -3.178 25.281 -10.122 192 HB3 TYR 22 HB3 TYR 22 -3.189 25.103 -11.873 193 HD1 TYR 22 HD1 TYR 22 -2.131 27.954 -9.707 194 HD2 TYR 22 HD2 TYR 22 -0.981 25.023 -12.569 195 HE1 TYR 22 HE1 TYR 22 0.115 28.951 -9.816 196 HE2 TYR 22 HE2 TYR 22 1.269 26.011 -12.685 197 HH TYR 22 HH TYR 22 2.193 28.548 -12.162 198 H GLN 23 H GLN 23 -5.782 28.460 -12.318 199 HA GLN 23 HA GLN 23 -6.160 26.776 -14.682 200 HB2 GLN 23 HB2 GLN 23 -8.114 27.129 -12.644 201 HB3 GLN 23 HB3 GLN 23 -8.664 28.000 -14.070 202 HG2 GLN 23 HG2 GLN 23 -7.941 25.727 -15.245 203 HG3 GLN 23 HG3 GLN 23 -8.298 25.098 -13.637 204 HE21 GLN 23 HE21 GLN 23 -9.631 24.945 -16.363 205 HE22 GLN 23 HE22 GLN 23 -11.283 25.330 -16.037 206 H LYS 24 H LYS 24 -5.056 29.545 -13.654 207 HA LYS 24 HA LYS 24 -6.105 31.061 -15.951 208 HB2 LYS 24 HB2 LYS 24 -6.092 33.079 -14.713 209 HB3 LYS 24 HB3 LYS 24 -6.884 31.893 -13.684 210 HG2 LYS 24 HG2 LYS 24 -4.773 31.585 -12.456 211 HG3 LYS 24 HG3 LYS 24 -4.033 32.836 -13.457 212 HD2 LYS 24 HD2 LYS 24 -5.120 34.518 -12.392 213 HD3 LYS 24 HD3 LYS 24 -6.573 33.552 -12.124 214 HE2 LYS 24 HE2 LYS 24 -5.824 32.730 -10.144 215 HE3 LYS 24 HE3 LYS 24 -4.137 32.735 -10.656 216 HZ1 LYS 24 HZ1 LYS 24 -4.255 34.394 -9.055 217 HZ2 LYS 24 HZ2 LYS 24 -5.746 34.974 -9.601 218 HZ3 LYS 24 HZ3 LYS 24 -4.346 35.260 -10.506 219 H PHE 25 H PHE 25 -3.379 30.224 -13.933 220 HA PHE 25 HA PHE 25 -1.417 31.926 -14.831 221 HB2 PHE 25 HB2 PHE 25 0.177 30.319 -14.117 222 HB3 PHE 25 HB3 PHE 25 -1.225 30.094 -13.076 223 HD1 PHE 25 HD1 PHE 25 1.187 28.428 -14.906 224 HD2 PHE 25 HD2 PHE 25 -2.992 28.344 -14.103 225 HE1 PHE 25 HE1 PHE 25 1.120 26.048 -15.524 226 HE2 PHE 25 HE2 PHE 25 -3.066 25.964 -14.719 227 HZ PHE 25 HZ PHE 25 -1.009 24.812 -15.430 228 H ALA 26 H ALA 26 -2.865 29.208 -16.481 229 HA ALA 26 HA ALA 26 -2.058 30.086 -19.028 230 HB1 ALA 26 HB1 ALA 26 -0.271 28.148 -17.679 231 HB2 ALA 26 HB2 ALA 26 -0.640 27.858 -19.379 232 HB3 ALA 26 HB3 ALA 26 0.095 29.383 -18.884 233 H LEU 27 H LEU 27 -2.819 27.192 -17.118 234 HA LEU 27 HA LEU 27 -4.305 25.499 -17.430 235 HB2 LEU 27 HB2 LEU 27 -5.886 27.372 -17.380 236 HB3 LEU 27 HB3 LEU 27 -5.711 27.560 -19.124 237 HG LEU 27 HG LEU 27 -6.796 25.446 -19.512 238 HD11 LEU 27 HD11 LEU 27 -7.844 24.580 -17.137 239 HD12 LEU 27 HD12 LEU 27 -6.204 25.044 -16.684 240 HD13 LEU 27 HD13 LEU 27 -6.463 23.866 -17.970 241 HD21 LEU 27 HD21 LEU 27 -8.929 26.141 -19.094 242 HD22 LEU 27 HD22 LEU 27 -8.066 27.650 -18.795 243 HD23 LEU 27 HD23 LEU 27 -8.565 26.635 -17.441 244 HA PRO 28 HA PRO 28 -2.403 24.560 -21.584 245 HB2 PRO 28 HB2 PRO 28 -1.014 22.387 -20.733 246 HB3 PRO 28 HB3 PRO 28 -0.370 24.031 -20.653 247 HG2 PRO 28 HG2 PRO 28 -1.636 22.386 -18.497 248 HG3 PRO 28 HG3 PRO 28 -0.197 23.419 -18.417 249 HD2 PRO 28 HD2 PRO 28 -2.617 24.220 -17.505 250 HD3 PRO 28 HD3 PRO 28 -1.438 25.349 -18.204 251 H GLN 29 H GLN 29 -4.442 23.064 -19.315 252 HA GLN 29 HA GLN 29 -4.864 20.590 -20.677 253 HB2 GLN 29 HB2 GLN 29 -6.647 21.993 -18.680 254 HB3 GLN 29 HB3 GLN 29 -6.756 20.305 -19.161 255 HG2 GLN 29 HG2 GLN 29 -5.270 19.715 -17.636 256 HG3 GLN 29 HG3 GLN 29 -4.104 20.886 -18.249 257 HE21 GLN 29 HE21 GLN 29 -4.180 23.039 -17.417 258 HE22 GLN 29 HE22 GLN 29 -4.808 23.340 -15.836 259 H TYR 30 H TYR 30 -7.105 23.323 -20.182 260 HA TYR 30 HA TYR 30 -8.719 24.225 -21.506 261 HB2 TYR 30 HB2 TYR 30 -7.079 22.939 -23.697 262 HB3 TYR 30 HB3 TYR 30 -8.431 24.029 -23.985 263 HD1 TYR 30 HD1 TYR 30 -5.077 23.974 -24.169 264 HD2 TYR 30 HD2 TYR 30 -8.117 26.206 -22.199 265 HE1 TYR 30 HE1 TYR 30 -3.552 25.897 -24.009 266 HE2 TYR 30 HE2 TYR 30 -6.601 28.136 -22.034 267 HH TYR 30 HH TYR 30 -4.423 28.899 -23.524 268 H LEU 31 H LEU 31 -8.156 21.372 -23.522 269 HA LEU 31 HA LEU 31 -10.793 20.350 -22.699 270 HB2 LEU 31 HB2 LEU 31 -10.877 19.433 -25.093 271 HB3 LEU 31 HB3 LEU 31 -11.216 21.143 -24.833 272 HG LEU 31 HG LEU 31 -9.800 20.576 -26.844 273 HD11 LEU 31 HD11 LEU 31 -7.991 22.313 -25.460 274 HD12 LEU 31 HD12 LEU 31 -9.652 22.695 -25.010 275 HD13 LEU 31 HD13 LEU 31 -9.176 22.698 -26.708 276 HD21 LEU 31 HD21 LEU 31 -7.580 19.899 -26.607 277 HD22 LEU 31 HD22 LEU 31 -8.460 18.859 -25.486 278 HD23 LEU 31 HD23 LEU 31 -7.558 20.248 -24.879 279 H LYS 32 H LYS 32 -11.001 17.972 -23.624 280 HA LYS 32 HA LYS 32 -8.876 16.484 -22.357 281 HB2 LYS 32 HB2 LYS 32 -11.642 16.064 -22.944 282 HB3 LYS 32 HB3 LYS 32 -10.717 14.743 -23.646 283 HG2 LYS 32 HG2 LYS 32 -9.642 14.400 -21.429 284 HG3 LYS 32 HG3 LYS 32 -10.737 15.616 -20.766 285 HD2 LYS 32 HD2 LYS 32 -11.799 13.253 -22.272 286 HD3 LYS 32 HD3 LYS 32 -11.373 13.118 -20.565 287 HE2 LYS 32 HE2 LYS 32 -12.885 15.469 -20.805 288 HE3 LYS 32 HE3 LYS 32 -13.716 14.258 -21.780 289 HZ1 LYS 32 HZ1 LYS 32 -13.545 12.762 -19.796 290 HZ2 LYS 32 HZ2 LYS 32 -14.571 14.092 -19.603 291 HZ3 LYS 32 HZ3 LYS 32 -13.032 14.103 -18.901 Start of MODEL 10 1 H1 THR 2 H THR 2 0.446 0.061 0.082 2 HA THR 2 HA THR 2 2.510 -0.185 -0.959 3 HB THR 2 HB THR 2 1.278 0.794 -3.470 4 HG1 THR 2 HG1 THR 2 -0.559 -0.001 -2.403 5 HG21 THR 2 HG21 THR 2 3.185 -1.159 -2.614 6 HG22 THR 2 HG22 THR 2 2.790 -0.642 -4.254 7 HG23 THR 2 HG23 THR 2 1.894 -1.964 -3.505 8 H LYS 3 H LYS 3 4.086 0.795 -2.595 9 HA LYS 3 HA LYS 3 4.537 3.550 -1.814 10 HB2 LYS 3 HB2 LYS 3 6.701 3.250 -3.031 11 HB3 LYS 3 HB3 LYS 3 6.443 2.096 -1.730 12 HG2 LYS 3 HG2 LYS 3 6.332 0.330 -3.132 13 HG3 LYS 3 HG3 LYS 3 5.557 1.258 -4.418 14 HD2 LYS 3 HD2 LYS 3 7.688 0.759 -5.257 15 HD3 LYS 3 HD3 LYS 3 7.819 2.425 -4.689 16 HE2 LYS 3 HE2 LYS 3 8.728 1.501 -2.533 17 HE3 LYS 3 HE3 LYS 3 8.796 -0.074 -3.320 18 HZ1 LYS 3 HZ1 LYS 3 10.655 2.021 -3.454 19 HZ2 LYS 3 HZ2 LYS 3 10.025 1.780 -5.005 20 HZ3 LYS 3 HZ3 LYS 3 10.742 0.492 -4.174 21 H LEU 4 H LEU 4 3.331 1.812 -4.527 22 HA LEU 4 HA LEU 4 3.665 4.111 -6.307 23 HB2 LEU 4 HB2 LEU 4 3.856 1.416 -6.752 24 HB3 LEU 4 HB3 LEU 4 2.232 1.777 -7.334 25 HG LEU 4 HG LEU 4 4.445 3.513 -8.285 26 HD11 LEU 4 HD11 LEU 4 5.470 1.339 -8.480 27 HD12 LEU 4 HD12 LEU 4 4.976 1.901 -10.076 28 HD13 LEU 4 HD13 LEU 4 4.017 0.684 -9.234 29 HD21 LEU 4 HD21 LEU 4 1.810 2.508 -9.247 30 HD22 LEU 4 HD22 LEU 4 3.016 3.017 -10.429 31 HD23 LEU 4 HD23 LEU 4 2.444 4.153 -9.206 32 H THR 5 H THR 5 1.064 1.894 -5.286 33 HA THR 5 HA THR 5 -1.091 3.224 -6.377 34 HB THR 5 HB THR 5 -1.216 1.929 -3.658 35 HG1 THR 5 HG1 THR 5 -0.164 0.425 -4.891 36 HG21 THR 5 HG21 THR 5 -3.454 1.331 -4.302 37 HG22 THR 5 HG22 THR 5 -3.193 1.937 -5.938 38 HG23 THR 5 HG23 THR 5 -3.243 3.060 -4.580 39 H GLU 6 H GLU 6 0.328 3.694 -3.146 40 HA GLU 6 HA GLU 6 -1.407 5.658 -2.226 41 HB2 GLU 6 HB2 GLU 6 1.480 5.064 -1.640 42 HB3 GLU 6 HB3 GLU 6 0.662 6.418 -0.873 43 HG2 GLU 6 HG2 GLU 6 -0.685 3.789 -0.749 44 HG3 GLU 6 HG3 GLU 6 0.778 3.994 0.213 45 H GLU 7 H GLU 7 1.845 6.229 -3.585 46 HA GLU 7 HA GLU 7 1.698 8.976 -3.796 47 HB2 GLU 7 HB2 GLU 7 3.217 6.872 -5.273 48 HB3 GLU 7 HB3 GLU 7 3.257 8.520 -5.884 49 HG2 GLU 7 HG2 GLU 7 3.741 8.358 -3.020 50 HG3 GLU 7 HG3 GLU 7 4.918 7.460 -3.977 51 H GLU 8 H GLU 8 1.007 6.632 -6.397 52 HA GLU 8 HA GLU 8 0.145 8.407 -8.328 53 HB2 GLU 8 HB2 GLU 8 0.466 5.820 -8.399 54 HB3 GLU 8 HB3 GLU 8 -1.238 5.770 -7.969 55 HG2 GLU 8 HG2 GLU 8 -1.911 6.423 -10.008 56 HG3 GLU 8 HG3 GLU 8 -0.564 7.542 -10.212 57 H LYS 9 H LYS 9 -1.647 7.026 -5.628 58 HA LYS 9 HA LYS 9 -4.180 8.073 -6.419 59 HB2 LYS 9 HB2 LYS 9 -4.038 6.142 -4.945 60 HB3 LYS 9 HB3 LYS 9 -3.188 7.094 -3.735 61 HG2 LYS 9 HG2 LYS 9 -5.624 8.418 -4.345 62 HG3 LYS 9 HG3 LYS 9 -5.975 6.713 -4.050 63 HD2 LYS 9 HD2 LYS 9 -5.223 6.797 -1.875 64 HD3 LYS 9 HD3 LYS 9 -4.150 8.163 -2.187 65 HE2 LYS 9 HE2 LYS 9 -6.346 9.473 -2.601 66 HE3 LYS 9 HE3 LYS 9 -7.110 8.144 -1.731 67 HZ1 LYS 9 HZ1 LYS 9 -6.008 10.335 -0.590 68 HZ2 LYS 9 HZ2 LYS 9 -4.780 9.186 -0.411 69 HZ3 LYS 9 HZ3 LYS 9 -6.324 8.876 0.207 70 H ASN 10 H ASN 10 -1.482 9.286 -4.582 71 HA ASN 10 HA ASN 10 -2.889 11.447 -3.351 72 HB2 ASN 10 HB2 ASN 10 0.084 11.161 -3.835 73 HB3 ASN 10 HB3 ASN 10 -0.690 12.252 -2.689 74 HD21 ASN 10 HD21 ASN 10 1.269 10.113 -2.272 75 HD22 ASN 10 HD22 ASN 10 0.555 9.041 -1.121 76 H ARG 11 H ARG 11 -0.870 11.102 -6.235 77 HA ARG 11 HA ARG 11 -0.596 13.736 -6.992 78 HB2 ARG 11 HB2 ARG 11 0.358 11.654 -8.110 79 HB3 ARG 11 HB3 ARG 11 -1.180 11.522 -8.952 80 HG2 ARG 11 HG2 ARG 11 -0.447 14.141 -9.385 81 HG3 ARG 11 HG3 ARG 11 1.082 13.263 -9.467 82 HD2 ARG 11 HD2 ARG 11 -1.417 12.595 -11.019 83 HD3 ARG 11 HD3 ARG 11 -0.005 13.432 -11.661 84 HE ARG 11 HE ARG 11 0.716 10.931 -10.528 85 HH11 ARG 11 HH11 ARG 11 -0.323 11.081 -14.391 86 HH12 ARG 11 HH12 ARG 11 -0.762 12.378 -13.329 87 HH21 ARG 11 HH21 ARG 11 0.848 9.284 -13.587 88 HH22 ARG 11 HH22 ARG 11 1.299 9.218 -11.917 89 H LEU 12 H LEU 12 -3.382 11.623 -7.345 90 HA LEU 12 HA LEU 12 -4.872 13.382 -9.020 91 HB2 LEU 12 HB2 LEU 12 -6.175 11.392 -7.220 92 HB3 LEU 12 HB3 LEU 12 -6.599 11.858 -8.865 93 HG LEU 12 HG LEU 12 -4.337 10.058 -8.008 94 HD11 LEU 12 HD11 LEU 12 -6.537 9.012 -7.991 95 HD12 LEU 12 HD12 LEU 12 -5.546 8.379 -9.305 96 HD13 LEU 12 HD13 LEU 12 -6.817 9.552 -9.647 97 HD21 LEU 12 HD21 LEU 12 -4.861 11.501 -10.543 98 HD22 LEU 12 HD22 LEU 12 -4.337 9.820 -10.659 99 HD23 LEU 12 HD23 LEU 12 -3.334 11.000 -9.814 100 H ASN 13 H ASN 13 -4.563 12.941 -5.555 101 HA ASN 13 HA ASN 13 -6.761 14.684 -4.916 102 HB2 ASN 13 HB2 ASN 13 -4.611 13.341 -3.291 103 HB3 ASN 13 HB3 ASN 13 -5.708 14.514 -2.569 104 HD21 ASN 13 HD21 ASN 13 -6.141 11.909 -4.937 105 HD22 ASN 13 HD22 ASN 13 -7.401 11.102 -4.071 106 H PHE 14 H PHE 14 -3.338 14.997 -5.427 107 HA PHE 14 HA PHE 14 -3.145 17.604 -4.215 108 HB2 PHE 14 HB2 PHE 14 -1.158 16.306 -4.142 109 HB3 PHE 14 HB3 PHE 14 -1.249 15.934 -5.860 110 HD1 PHE 14 HD1 PHE 14 -0.870 18.811 -3.530 111 HD2 PHE 14 HD2 PHE 14 -0.002 17.168 -7.359 112 HE1 PHE 14 HE1 PHE 14 0.596 20.727 -4.015 113 HE2 PHE 14 HE2 PHE 14 1.466 19.081 -7.851 114 HZ PHE 14 HZ PHE 14 1.767 20.863 -6.178 115 H LEU 15 H LEU 15 -3.547 16.283 -7.442 116 HA LEU 15 HA LEU 15 -3.141 18.743 -8.822 117 HB2 LEU 15 HB2 LEU 15 -3.800 16.005 -9.476 118 HB3 LEU 15 HB3 LEU 15 -4.764 17.140 -10.419 119 HG LEU 15 HG LEU 15 -1.753 16.977 -10.323 120 HD11 LEU 15 HD11 LEU 15 -1.955 16.341 -12.660 121 HD12 LEU 15 HD12 LEU 15 -3.713 16.429 -12.548 122 HD13 LEU 15 HD13 LEU 15 -2.831 15.210 -11.628 123 HD21 LEU 15 HD21 LEU 15 -1.860 19.167 -10.793 124 HD22 LEU 15 HD22 LEU 15 -3.579 19.102 -11.185 125 HD23 LEU 15 HD23 LEU 15 -2.380 18.631 -12.391 126 H LYS 16 H LYS 16 -5.932 17.094 -7.476 127 HA LYS 16 HA LYS 16 -7.852 18.874 -8.649 128 HB2 LYS 16 HB2 LYS 16 -9.462 17.749 -7.152 129 HB3 LYS 16 HB3 LYS 16 -8.505 16.606 -8.084 130 HG2 LYS 16 HG2 LYS 16 -8.418 15.618 -6.036 131 HG3 LYS 16 HG3 LYS 16 -6.982 16.641 -5.938 132 HD2 LYS 16 HD2 LYS 16 -7.828 17.668 -4.158 133 HD3 LYS 16 HD3 LYS 16 -9.228 18.175 -5.106 134 HE2 LYS 16 HE2 LYS 16 -10.156 16.975 -3.334 135 HE3 LYS 16 HE3 LYS 16 -10.132 15.815 -4.662 136 HZ1 LYS 16 HZ1 LYS 16 -7.742 15.800 -3.056 137 HZ2 LYS 16 HZ2 LYS 16 -8.697 14.509 -3.586 138 HZ3 LYS 16 HZ3 LYS 16 -9.135 15.369 -2.197 139 H LYS 17 H LYS 17 -6.068 18.702 -5.645 140 HA LYS 17 HA LYS 17 -7.607 20.681 -4.274 141 HB2 LYS 17 HB2 LYS 17 -6.188 20.346 -2.504 142 HB3 LYS 17 HB3 LYS 17 -5.930 18.842 -3.378 143 HG2 LYS 17 HG2 LYS 17 -3.768 19.398 -3.044 144 HG3 LYS 17 HG3 LYS 17 -4.031 20.311 -4.532 145 HD2 LYS 17 HD2 LYS 17 -4.101 22.334 -3.437 146 HD3 LYS 17 HD3 LYS 17 -4.624 21.611 -1.914 147 HE2 LYS 17 HE2 LYS 17 -1.952 20.822 -2.900 148 HE3 LYS 17 HE3 LYS 17 -2.125 22.491 -2.360 149 HZ1 LYS 17 HZ1 LYS 17 -1.937 20.124 -0.811 150 HZ2 LYS 17 HZ2 LYS 17 -3.371 20.944 -0.447 151 HZ3 LYS 17 HZ3 LYS 17 -1.884 21.738 -0.304 152 H ILE 18 H ILE 18 -4.949 20.738 -6.501 153 HA ILE 18 HA ILE 18 -4.411 23.560 -5.953 154 HB ILE 18 HB ILE 18 -2.513 23.353 -7.432 155 HG12 ILE 18 HG12 ILE 18 -3.522 20.549 -7.958 156 HG13 ILE 18 HG13 ILE 18 -3.482 21.874 -9.115 157 HG21 ILE 18 HG21 ILE 18 -1.403 22.559 -5.685 158 HG22 ILE 18 HG22 ILE 18 -2.883 21.832 -5.062 159 HG23 ILE 18 HG23 ILE 18 -1.842 20.916 -6.152 160 HD11 ILE 18 HD11 ILE 18 -0.867 21.641 -8.197 161 HD12 ILE 18 HD12 ILE 18 -1.434 19.986 -8.420 162 HD13 ILE 18 HD13 ILE 18 -1.504 21.130 -9.760 163 H SER 19 H SER 19 -5.782 21.452 -8.390 164 HA SER 19 HA SER 19 -5.877 23.159 -10.574 165 HB2 SER 19 HB2 SER 19 -6.640 21.115 -11.223 166 HB3 SER 19 HB3 SER 19 -7.412 20.796 -9.670 167 HG SER 19 HG SER 19 -9.218 21.642 -10.384 168 H GLN 20 H GLN 20 -7.699 23.224 -7.630 169 HA GLN 20 HA GLN 20 -9.930 24.704 -8.440 170 HB2 GLN 20 HB2 GLN 20 -8.501 24.744 -5.777 171 HB3 GLN 20 HB3 GLN 20 -10.119 25.367 -6.070 172 HG2 GLN 20 HG2 GLN 20 -9.170 22.533 -6.040 173 HG3 GLN 20 HG3 GLN 20 -10.484 23.279 -5.131 174 HE21 GLN 20 HE21 GLN 20 -10.169 20.978 -7.148 175 HE22 GLN 20 HE22 GLN 20 -11.490 21.224 -8.234 176 H ARG 21 H ARG 21 -6.681 25.710 -7.543 177 HA ARG 21 HA ARG 21 -7.418 28.516 -7.974 178 HB2 ARG 21 HB2 ARG 21 -5.528 29.133 -6.742 179 HB3 ARG 21 HB3 ARG 21 -6.116 27.701 -5.907 180 HG2 ARG 21 HG2 ARG 21 -4.439 26.344 -7.073 181 HG3 ARG 21 HG3 ARG 21 -3.839 27.798 -7.874 182 HD2 ARG 21 HD2 ARG 21 -2.439 27.999 -6.148 183 HD3 ARG 21 HD3 ARG 21 -3.846 28.500 -5.211 184 HE ARG 21 HE ARG 21 -3.666 25.688 -5.225 185 HH11 ARG 21 HH11 ARG 21 -1.528 27.672 -2.483 186 HH12 ARG 21 HH12 ARG 21 -2.099 28.498 -3.895 187 HH21 ARG 21 HH21 ARG 21 -1.994 25.449 -2.186 188 HH22 ARG 21 HH22 ARG 21 -2.920 24.590 -3.370 189 H TYR 22 H TYR 22 -5.467 25.920 -9.249 190 HA TYR 22 HA TYR 22 -4.154 27.668 -11.169 191 HB2 TYR 22 HB2 TYR 22 -3.424 25.289 -9.932 192 HB3 TYR 22 HB3 TYR 22 -3.781 24.809 -11.588 193 HD1 TYR 22 HD1 TYR 22 -1.816 24.548 -12.767 194 HD2 TYR 22 HD2 TYR 22 -2.181 27.848 -10.106 195 HE1 TYR 22 HE1 TYR 22 0.392 25.361 -13.482 196 HE2 TYR 22 HE2 TYR 22 0.025 28.671 -10.815 197 HH TYR 22 HH TYR 22 1.911 26.968 -13.297 198 H GLN 23 H GLN 23 -6.226 28.286 -12.154 199 HA GLN 23 HA GLN 23 -6.938 26.398 -14.280 200 HB2 GLN 23 HB2 GLN 23 -9.281 26.759 -14.014 201 HB3 GLN 23 HB3 GLN 23 -8.644 26.319 -12.435 202 HG2 GLN 23 HG2 GLN 23 -9.449 28.175 -11.553 203 HG3 GLN 23 HG3 GLN 23 -8.549 29.153 -12.712 204 HE21 GLN 23 HE21 GLN 23 -9.746 28.457 -15.067 205 HE22 GLN 23 HE22 GLN 23 -11.394 28.977 -15.061 206 H LYS 24 H LYS 24 -5.597 29.210 -13.641 207 HA LYS 24 HA LYS 24 -6.771 30.541 -15.994 208 HB2 LYS 24 HB2 LYS 24 -6.432 32.669 -15.003 209 HB3 LYS 24 HB3 LYS 24 -7.199 31.676 -13.771 210 HG2 LYS 24 HG2 LYS 24 -4.991 31.284 -12.751 211 HG3 LYS 24 HG3 LYS 24 -4.271 32.358 -13.953 212 HD2 LYS 24 HD2 LYS 24 -4.741 34.098 -12.653 213 HD3 LYS 24 HD3 LYS 24 -6.461 33.730 -12.802 214 HE2 LYS 24 HE2 LYS 24 -5.691 31.895 -10.958 215 HE3 LYS 24 HE3 LYS 24 -4.596 33.225 -10.584 216 HZ1 LYS 24 HZ1 LYS 24 -6.362 33.836 -9.330 217 HZ2 LYS 24 HZ2 LYS 24 -7.500 33.079 -10.326 218 HZ3 LYS 24 HZ3 LYS 24 -6.843 34.572 -10.776 219 H PHE 25 H PHE 25 -3.928 29.478 -14.341 220 HA PHE 25 HA PHE 25 -1.912 30.935 -15.519 221 HB2 PHE 25 HB2 PHE 25 -0.441 29.113 -15.029 222 HB3 PHE 25 HB3 PHE 25 -1.664 29.142 -13.763 223 HD1 PHE 25 HD1 PHE 25 -3.703 27.578 -14.111 224 HD2 PHE 25 HD2 PHE 25 0.015 27.142 -16.136 225 HE1 PHE 25 HE1 PHE 25 -4.233 25.220 -14.568 226 HE2 PHE 25 HE2 PHE 25 -0.510 24.783 -16.598 227 HZ PHE 25 HZ PHE 25 -2.636 23.819 -15.814 228 H ALA 26 H ALA 26 -3.917 28.454 -16.921 229 HA ALA 26 HA ALA 26 -3.368 29.198 -19.562 230 HB1 ALA 26 HB1 ALA 26 -1.308 27.645 -18.499 231 HB2 ALA 26 HB2 ALA 26 -2.242 26.547 -19.517 232 HB3 ALA 26 HB3 ALA 26 -1.585 28.036 -20.197 233 H LEU 27 H LEU 27 -4.363 26.678 -17.334 234 HA LEU 27 HA LEU 27 -6.077 25.183 -17.358 235 HB2 LEU 27 HB2 LEU 27 -7.190 27.490 -17.900 236 HB3 LEU 27 HB3 LEU 27 -7.435 26.770 -19.490 237 HG LEU 27 HG LEU 27 -8.750 24.976 -18.489 238 HD11 LEU 27 HD11 LEU 27 -7.487 25.827 -16.104 239 HD12 LEU 27 HD12 LEU 27 -8.582 24.465 -16.341 240 HD13 LEU 27 HD13 LEU 27 -9.225 26.047 -15.899 241 HD21 LEU 27 HD21 LEU 27 -9.580 27.779 -17.763 242 HD22 LEU 27 HD22 LEU 27 -10.653 26.383 -17.662 243 HD23 LEU 27 HD23 LEU 27 -9.988 26.874 -19.221 244 HA PRO 28 HA PRO 28 -4.448 23.373 -21.350 245 HB2 PRO 28 HB2 PRO 28 -3.231 21.242 -20.189 246 HB3 PRO 28 HB3 PRO 28 -2.428 22.800 -20.417 247 HG2 PRO 28 HG2 PRO 28 -3.730 21.680 -17.965 248 HG3 PRO 28 HG3 PRO 28 -2.196 22.556 -18.116 249 HD2 PRO 28 HD2 PRO 28 -4.475 23.746 -17.268 250 HD3 PRO 28 HD3 PRO 28 -3.233 24.613 -18.194 251 H GLN 29 H GLN 29 -6.891 23.117 -21.387 252 HA GLN 29 HA GLN 29 -7.498 20.276 -21.292 253 HB2 GLN 29 HB2 GLN 29 -9.413 20.427 -19.938 254 HB3 GLN 29 HB3 GLN 29 -8.195 21.364 -19.084 255 HG2 GLN 29 HG2 GLN 29 -9.192 23.400 -20.248 256 HG3 GLN 29 HG3 GLN 29 -10.548 22.349 -20.655 257 HE21 GLN 29 HE21 GLN 29 -10.987 24.565 -19.164 258 HE22 GLN 29 HE22 GLN 29 -11.359 24.128 -17.534 259 H TYR 30 H TYR 30 -7.144 22.503 -23.277 260 HA TYR 30 HA TYR 30 -9.774 22.299 -24.592 261 HB2 TYR 30 HB2 TYR 30 -8.952 24.359 -25.884 262 HB3 TYR 30 HB3 TYR 30 -9.425 24.593 -24.204 263 HD1 TYR 30 HD1 TYR 30 -8.004 25.775 -22.815 264 HD2 TYR 30 HD2 TYR 30 -6.386 23.853 -26.249 265 HE1 TYR 30 HE1 TYR 30 -5.809 26.774 -22.332 266 HE2 TYR 30 HE2 TYR 30 -4.186 24.846 -25.775 267 HH TYR 30 HH TYR 30 -2.957 25.952 -24.242 268 H LEU 31 H LEU 31 -6.394 21.682 -24.814 269 HA LEU 31 HA LEU 31 -6.670 20.912 -27.640 270 HB2 LEU 31 HB2 LEU 31 -4.643 22.299 -26.218 271 HB3 LEU 31 HB3 LEU 31 -3.971 20.760 -26.754 272 HG LEU 31 HG LEU 31 -5.270 22.805 -28.554 273 HD11 LEU 31 HD11 LEU 31 -2.911 23.176 -27.366 274 HD12 LEU 31 HD12 LEU 31 -3.237 23.686 -29.022 275 HD13 LEU 31 HD13 LEU 31 -2.385 22.173 -28.717 276 HD21 LEU 31 HD21 LEU 31 -3.540 20.917 -29.841 277 HD22 LEU 31 HD22 LEU 31 -5.244 21.259 -30.145 278 HD23 LEU 31 HD23 LEU 31 -4.786 20.065 -28.929 279 H LYS 32 H LYS 32 -5.394 19.820 -24.518 280 HA LYS 32 HA LYS 32 -5.045 17.744 -23.656 281 HB2 LYS 32 HB2 LYS 32 -7.383 17.545 -25.219 282 HB3 LYS 32 HB3 LYS 32 -6.428 16.115 -25.585 283 HG2 LYS 32 HG2 LYS 32 -6.274 15.643 -23.166 284 HG3 LYS 32 HG3 LYS 32 -7.327 17.026 -22.860 285 HD2 LYS 32 HD2 LYS 32 -8.996 15.903 -24.416 286 HD3 LYS 32 HD3 LYS 32 -7.980 14.464 -24.297 287 HE2 LYS 32 HE2 LYS 32 -9.622 14.163 -22.656 288 HE3 LYS 32 HE3 LYS 32 -8.208 14.729 -21.768 289 HZ1 LYS 32 HZ1 LYS 32 -10.622 15.776 -21.472 290 HZ2 LYS 32 HZ2 LYS 32 -10.045 16.780 -22.704 291 HZ3 LYS 32 HZ3 LYS 32 -9.202 16.666 -21.241 Start of MODEL 11 1 H1 THR 2 H THR 2 2.767 -1.420 -1.634 2 HA THR 2 HA THR 2 4.798 -1.845 -3.585 3 HB THR 2 HB THR 2 2.120 -0.519 -4.030 4 HG1 THR 2 HG1 THR 2 2.795 -3.292 -4.050 5 HG21 THR 2 HG21 THR 2 4.287 -1.456 -5.756 6 HG22 THR 2 HG22 THR 2 2.961 -0.347 -6.105 7 HG23 THR 2 HG23 THR 2 2.704 -2.088 -6.204 8 H LYS 3 H LYS 3 4.060 0.791 -1.646 9 HA LYS 3 HA LYS 3 4.487 3.044 -1.753 10 HB2 LYS 3 HB2 LYS 3 6.797 3.548 -2.233 11 HB3 LYS 3 HB3 LYS 3 6.715 1.999 -1.403 12 HG2 LYS 3 HG2 LYS 3 7.260 0.802 -3.316 13 HG3 LYS 3 HG3 LYS 3 6.814 2.129 -4.391 14 HD2 LYS 3 HD2 LYS 3 8.937 2.825 -2.513 15 HD3 LYS 3 HD3 LYS 3 9.367 1.495 -3.591 16 HE2 LYS 3 HE2 LYS 3 8.302 3.120 -5.397 17 HE3 LYS 3 HE3 LYS 3 8.767 4.339 -4.212 18 HZ1 LYS 3 HZ1 LYS 3 11.027 3.177 -4.266 19 HZ2 LYS 3 HZ2 LYS 3 10.612 4.157 -5.580 20 HZ3 LYS 3 HZ3 LYS 3 10.495 2.474 -5.710 21 H LEU 4 H LEU 4 2.862 2.169 -3.913 22 HA LEU 4 HA LEU 4 3.594 4.198 -5.901 23 HB2 LEU 4 HB2 LEU 4 4.057 1.715 -6.553 24 HB3 LEU 4 HB3 LEU 4 2.311 1.649 -6.784 25 HG LEU 4 HG LEU 4 3.609 3.896 -8.143 26 HD11 LEU 4 HD11 LEU 4 4.601 1.144 -8.498 27 HD12 LEU 4 HD12 LEU 4 5.382 2.689 -8.835 28 HD13 LEU 4 HD13 LEU 4 4.212 2.026 -9.976 29 HD21 LEU 4 HD21 LEU 4 2.082 1.870 -9.623 30 HD22 LEU 4 HD22 LEU 4 1.898 3.623 -9.575 31 HD23 LEU 4 HD23 LEU 4 1.219 2.629 -8.285 32 H THR 5 H THR 5 1.036 2.011 -4.758 33 HA THR 5 HA THR 5 -1.154 3.227 -5.933 34 HB THR 5 HB THR 5 -1.506 2.281 -3.138 35 HG1 THR 5 HG1 THR 5 -0.841 0.271 -3.542 36 HG21 THR 5 HG21 THR 5 -2.863 1.470 -5.708 37 HG22 THR 5 HG22 THR 5 -3.382 2.824 -4.705 38 HG23 THR 5 HG23 THR 5 -3.427 1.183 -4.063 39 H GLU 6 H GLU 6 0.191 3.873 -2.693 40 HA GLU 6 HA GLU 6 -1.540 5.889 -1.922 41 HB2 GLU 6 HB2 GLU 6 1.280 5.199 -1.237 42 HB3 GLU 6 HB3 GLU 6 0.649 6.748 -0.695 43 HG2 GLU 6 HG2 GLU 6 -1.026 4.371 -0.175 44 HG3 GLU 6 HG3 GLU 6 0.469 4.518 0.748 45 H GLU 7 H GLU 7 1.682 6.342 -3.390 46 HA GLU 7 HA GLU 7 1.595 9.081 -3.715 47 HB2 GLU 7 HB2 GLU 7 2.956 6.903 -5.269 48 HB3 GLU 7 HB3 GLU 7 3.094 8.580 -5.778 49 HG2 GLU 7 HG2 GLU 7 4.027 9.165 -3.596 50 HG3 GLU 7 HG3 GLU 7 3.898 7.481 -3.094 51 H GLU 8 H GLU 8 0.736 6.649 -6.180 52 HA GLU 8 HA GLU 8 -0.176 8.377 -8.139 53 HB2 GLU 8 HB2 GLU 8 0.157 5.934 -8.429 54 HB3 GLU 8 HB3 GLU 8 -1.304 5.648 -7.493 55 HG2 GLU 8 HG2 GLU 8 -2.672 6.209 -9.194 56 HG3 GLU 8 HG3 GLU 8 -1.581 7.450 -9.808 57 H LYS 9 H LYS 9 -1.849 7.130 -5.306 58 HA LYS 9 HA LYS 9 -4.411 8.166 -6.030 59 HB2 LYS 9 HB2 LYS 9 -4.227 6.283 -4.502 60 HB3 LYS 9 HB3 LYS 9 -3.314 7.262 -3.362 61 HG2 LYS 9 HG2 LYS 9 -5.787 8.564 -3.941 62 HG3 LYS 9 HG3 LYS 9 -6.098 6.886 -3.493 63 HD2 LYS 9 HD2 LYS 9 -5.251 7.152 -1.376 64 HD3 LYS 9 HD3 LYS 9 -4.176 8.468 -1.856 65 HE2 LYS 9 HE2 LYS 9 -6.337 9.807 -2.244 66 HE3 LYS 9 HE3 LYS 9 -7.121 8.550 -1.289 67 HZ1 LYS 9 HZ1 LYS 9 -5.561 10.744 -0.409 68 HZ2 LYS 9 HZ2 LYS 9 -4.872 9.295 0.127 69 HZ3 LYS 9 HZ3 LYS 9 -6.481 9.657 0.504 70 H ASN 10 H ASN 10 -1.612 9.428 -4.409 71 HA ASN 10 HA ASN 10 -2.938 11.631 -3.156 72 HB2 ASN 10 HB2 ASN 10 -0.002 11.284 -3.807 73 HB3 ASN 10 HB3 ASN 10 -0.685 12.458 -2.686 74 HD21 ASN 10 HD21 ASN 10 1.260 10.319 -2.247 75 HD22 ASN 10 HD22 ASN 10 0.598 9.328 -0.996 76 H ARG 11 H ARG 11 -1.094 11.187 -6.144 77 HA ARG 11 HA ARG 11 -0.879 13.802 -6.996 78 HB2 ARG 11 HB2 ARG 11 0.091 11.769 -8.110 79 HB3 ARG 11 HB3 ARG 11 -1.499 11.454 -8.792 80 HG2 ARG 11 HG2 ARG 11 -0.925 14.121 -9.414 81 HG3 ARG 11 HG3 ARG 11 0.563 13.221 -9.713 82 HD2 ARG 11 HD2 ARG 11 -0.856 11.565 -10.996 83 HD3 ARG 11 HD3 ARG 11 -2.165 12.741 -10.886 84 HE ARG 11 HE ARG 11 0.009 14.097 -11.915 85 HH11 ARG 11 HH11 ARG 11 -1.757 11.628 -14.524 86 HH12 ARG 11 HH12 ARG 11 -1.967 11.379 -12.823 87 HH21 ARG 11 HH21 ARG 11 -0.470 13.366 -15.279 88 HH22 ARG 11 HH22 ARG 11 0.293 14.436 -14.152 89 H LEU 12 H LEU 12 -3.640 11.621 -7.227 90 HA LEU 12 HA LEU 12 -5.242 13.250 -8.882 91 HB2 LEU 12 HB2 LEU 12 -6.392 11.431 -6.805 92 HB3 LEU 12 HB3 LEU 12 -6.985 11.782 -8.427 93 HG LEU 12 HG LEU 12 -4.657 10.022 -7.672 94 HD11 LEU 12 HD11 LEU 12 -6.457 8.652 -7.443 95 HD12 LEU 12 HD12 LEU 12 -6.212 8.494 -9.182 96 HD13 LEU 12 HD13 LEU 12 -7.452 9.584 -8.562 97 HD21 LEU 12 HD21 LEU 12 -4.877 9.611 -10.284 98 HD22 LEU 12 HD22 LEU 12 -3.820 10.855 -9.617 99 HD23 LEU 12 HD23 LEU 12 -5.409 11.292 -10.246 100 H ASN 13 H ASN 13 -4.645 13.215 -5.440 101 HA ASN 13 HA ASN 13 -6.814 15.032 -4.850 102 HB2 ASN 13 HB2 ASN 13 -4.618 13.784 -3.211 103 HB3 ASN 13 HB3 ASN 13 -5.642 15.056 -2.551 104 HD21 ASN 13 HD21 ASN 13 -6.308 12.282 -4.656 105 HD22 ASN 13 HD22 ASN 13 -7.527 11.592 -3.645 106 H PHE 14 H PHE 14 -3.285 15.168 -5.075 107 HA PHE 14 HA PHE 14 -2.996 17.851 -4.261 108 HB2 PHE 14 HB2 PHE 14 -1.051 16.488 -4.243 109 HB3 PHE 14 HB3 PHE 14 -1.266 16.029 -5.929 110 HD1 PHE 14 HD1 PHE 14 -0.613 18.991 -3.776 111 HD2 PHE 14 HD2 PHE 14 -0.114 17.158 -7.585 112 HE1 PHE 14 HE1 PHE 14 0.876 20.826 -4.460 113 HE2 PHE 14 HE2 PHE 14 1.377 18.989 -8.274 114 HZ PHE 14 HZ PHE 14 1.875 20.826 -6.711 115 H LEU 15 H LEU 15 -3.365 16.374 -7.460 116 HA LEU 15 HA LEU 15 -3.055 18.721 -8.973 117 HB2 LEU 15 HB2 LEU 15 -3.244 16.159 -9.619 118 HB3 LEU 15 HB3 LEU 15 -4.927 16.604 -9.894 119 HG LEU 15 HG LEU 15 -3.831 16.728 -11.988 120 HD11 LEU 15 HD11 LEU 15 -5.279 18.721 -11.114 121 HD12 LEU 15 HD12 LEU 15 -4.421 18.845 -12.650 122 HD13 LEU 15 HD13 LEU 15 -3.754 19.602 -11.204 123 HD21 LEU 15 HD21 LEU 15 -1.533 16.757 -11.250 124 HD22 LEU 15 HD22 LEU 15 -1.727 18.386 -10.602 125 HD23 LEU 15 HD23 LEU 15 -1.817 18.112 -12.343 126 H LYS 16 H LYS 16 -5.986 17.116 -7.758 127 HA LYS 16 HA LYS 16 -7.771 19.082 -8.776 128 HB2 LYS 16 HB2 LYS 16 -8.182 17.090 -6.538 129 HB3 LYS 16 HB3 LYS 16 -9.452 17.990 -7.355 130 HG2 LYS 16 HG2 LYS 16 -7.667 16.371 -9.064 131 HG3 LYS 16 HG3 LYS 16 -8.779 15.495 -8.009 132 HD2 LYS 16 HD2 LYS 16 -9.846 17.768 -9.606 133 HD3 LYS 16 HD3 LYS 16 -9.482 16.257 -10.443 134 HE2 LYS 16 HE2 LYS 16 -10.859 15.110 -8.640 135 HE3 LYS 16 HE3 LYS 16 -11.407 16.721 -8.179 136 HZ1 LYS 16 HZ1 LYS 16 -12.258 15.085 -10.343 137 HZ2 LYS 16 HZ2 LYS 16 -11.736 16.593 -10.903 138 HZ3 LYS 16 HZ3 LYS 16 -12.955 16.501 -9.733 139 H LYS 17 H LYS 17 -5.883 18.795 -5.879 140 HA LYS 17 HA LYS 17 -7.344 20.725 -4.352 141 HB2 LYS 17 HB2 LYS 17 -6.047 19.106 -3.158 142 HB3 LYS 17 HB3 LYS 17 -4.589 19.530 -4.045 143 HG2 LYS 17 HG2 LYS 17 -4.179 21.360 -2.775 144 HG3 LYS 17 HG3 LYS 17 -5.891 21.689 -2.498 145 HD2 LYS 17 HD2 LYS 17 -5.808 19.499 -1.094 146 HD3 LYS 17 HD3 LYS 17 -4.068 19.794 -1.071 147 HE2 LYS 17 HE2 LYS 17 -4.293 21.774 0.120 148 HE3 LYS 17 HE3 LYS 17 -5.982 21.976 -0.344 149 HZ1 LYS 17 HZ1 LYS 17 -6.144 21.291 1.830 150 HZ2 LYS 17 HZ2 LYS 17 -4.825 20.237 1.729 151 HZ3 LYS 17 HZ3 LYS 17 -6.300 19.817 1.015 152 H ILE 18 H ILE 18 -4.496 20.803 -6.431 153 HA ILE 18 HA ILE 18 -4.017 23.608 -5.902 154 HB ILE 18 HB ILE 18 -2.169 23.437 -7.436 155 HG12 ILE 18 HG12 ILE 18 -3.275 20.701 -8.105 156 HG13 ILE 18 HG13 ILE 18 -3.207 22.093 -9.181 157 HG21 ILE 18 HG21 ILE 18 -2.452 21.916 -5.112 158 HG22 ILE 18 HG22 ILE 18 -1.647 20.858 -6.270 159 HG23 ILE 18 HG23 ILE 18 -0.948 22.429 -5.878 160 HD11 ILE 18 HD11 ILE 18 -0.615 21.888 -8.576 161 HD12 ILE 18 HD12 ILE 18 -1.094 20.200 -8.389 162 HD13 ILE 18 HD13 ILE 18 -1.367 21.031 -9.920 163 H SER 19 H SER 19 -5.579 21.640 -8.322 164 HA SER 19 HA SER 19 -5.699 23.408 -10.460 165 HB2 SER 19 HB2 SER 19 -6.569 21.407 -11.116 166 HB3 SER 19 HB3 SER 19 -7.297 21.090 -9.541 167 HG SER 19 HG SER 19 -8.375 22.267 -11.769 168 H GLN 20 H GLN 20 -7.367 23.469 -7.428 169 HA GLN 20 HA GLN 20 -9.575 25.057 -8.090 170 HB2 GLN 20 HB2 GLN 20 -8.045 25.082 -5.485 171 HB3 GLN 20 HB3 GLN 20 -9.713 25.584 -5.728 172 HG2 GLN 20 HG2 GLN 20 -8.591 22.802 -5.912 173 HG3 GLN 20 HG3 GLN 20 -9.727 23.432 -4.720 174 HE21 GLN 20 HE21 GLN 20 -10.103 21.141 -6.361 175 HE22 GLN 20 HE22 GLN 20 -11.474 21.443 -7.368 176 H ARG 21 H ARG 21 -6.251 25.911 -7.300 177 HA ARG 21 HA ARG 21 -6.889 28.754 -7.629 178 HB2 ARG 21 HB2 ARG 21 -4.947 29.259 -6.450 179 HB3 ARG 21 HB3 ARG 21 -5.509 27.793 -5.660 180 HG2 ARG 21 HG2 ARG 21 -3.929 26.633 -7.410 181 HG3 ARG 21 HG3 ARG 21 -3.152 28.218 -7.417 182 HD2 ARG 21 HD2 ARG 21 -1.995 27.078 -5.759 183 HD3 ARG 21 HD3 ARG 21 -3.193 27.997 -4.847 184 HE ARG 21 HE ARG 21 -4.265 25.480 -5.440 185 HH11 ARG 21 HH11 ARG 21 -1.784 25.669 -2.303 186 HH12 ARG 21 HH12 ARG 21 -1.743 26.910 -3.512 187 HH21 ARG 21 HH21 ARG 21 -3.254 23.923 -2.500 188 HH22 ARG 21 HH22 ARG 21 -4.328 23.840 -3.856 189 H TYR 22 H TYR 22 -5.151 26.115 -9.090 190 HA TYR 22 HA TYR 22 -3.852 27.869 -11.020 191 HB2 TYR 22 HB2 TYR 22 -3.154 25.428 -9.884 192 HB3 TYR 22 HB3 TYR 22 -3.604 25.014 -11.535 193 HD1 TYR 22 HD1 TYR 22 -1.822 27.940 -10.031 194 HD2 TYR 22 HD2 TYR 22 -1.712 24.730 -12.821 195 HE1 TYR 22 HE1 TYR 22 0.379 28.705 -10.815 196 HE2 TYR 22 HE2 TYR 22 0.490 25.486 -13.613 197 HH TYR 22 HH TYR 22 2.459 26.898 -12.507 198 H GLN 23 H GLN 23 -5.997 28.567 -11.833 199 HA GLN 23 HA GLN 23 -6.865 26.775 -13.988 200 HB2 GLN 23 HB2 GLN 23 -8.415 27.436 -11.717 201 HB3 GLN 23 HB3 GLN 23 -9.096 28.329 -13.071 202 HG2 GLN 23 HG2 GLN 23 -8.851 25.962 -14.248 203 HG3 GLN 23 HG3 GLN 23 -8.984 25.414 -12.578 204 HE21 GLN 23 HE21 GLN 23 -10.885 24.736 -14.414 205 HE22 GLN 23 HE22 GLN 23 -12.363 25.555 -14.058 206 H LYS 24 H LYS 24 -5.394 29.516 -13.353 207 HA LYS 24 HA LYS 24 -6.657 30.956 -15.593 208 HB2 LYS 24 HB2 LYS 24 -6.203 33.042 -14.560 209 HB3 LYS 24 HB3 LYS 24 -6.930 32.033 -13.317 210 HG2 LYS 24 HG2 LYS 24 -4.682 31.549 -12.433 211 HG3 LYS 24 HG3 LYS 24 -3.998 32.639 -13.641 212 HD2 LYS 24 HD2 LYS 24 -5.453 34.450 -12.690 213 HD3 LYS 24 HD3 LYS 24 -5.874 33.337 -11.386 214 HE2 LYS 24 HE2 LYS 24 -3.082 33.276 -11.560 215 HE3 LYS 24 HE3 LYS 24 -3.526 34.975 -11.717 216 HZ1 LYS 24 HZ1 LYS 24 -4.654 33.282 -9.574 217 HZ2 LYS 24 HZ2 LYS 24 -4.564 34.970 -9.649 218 HZ3 LYS 24 HZ3 LYS 24 -3.162 34.059 -9.387 219 H PHE 25 H PHE 25 -3.757 29.782 -14.115 220 HA PHE 25 HA PHE 25 -1.772 31.214 -15.376 221 HB2 PHE 25 HB2 PHE 25 -0.318 29.368 -14.974 222 HB3 PHE 25 HB3 PHE 25 -1.492 29.372 -13.663 223 HD1 PHE 25 HD1 PHE 25 0.096 27.413 -16.116 224 HD2 PHE 25 HD2 PHE 25 -3.582 27.852 -14.018 225 HE1 PHE 25 HE1 PHE 25 -0.470 25.074 -16.625 226 HE2 PHE 25 HE2 PHE 25 -4.153 25.513 -14.523 227 HZ PHE 25 HZ PHE 25 -2.596 24.120 -15.828 228 H ALA 26 H ALA 26 -3.823 28.689 -16.679 229 HA ALA 26 HA ALA 26 -3.517 29.490 -19.337 230 HB1 ALA 26 HB1 ALA 26 -1.394 27.788 -18.382 231 HB2 ALA 26 HB2 ALA 26 -2.278 27.022 -19.703 232 HB3 ALA 26 HB3 ALA 26 -1.562 28.618 -19.930 233 H LEU 27 H LEU 27 -3.988 26.674 -17.238 234 HA LEU 27 HA LEU 27 -5.626 25.101 -17.142 235 HB2 LEU 27 HB2 LEU 27 -7.025 27.213 -17.241 236 HB3 LEU 27 HB3 LEU 27 -7.233 26.879 -18.959 237 HG LEU 27 HG LEU 27 -7.961 24.731 -17.040 238 HD11 LEU 27 HD11 LEU 27 -9.700 25.752 -16.082 239 HD12 LEU 27 HD12 LEU 27 -10.149 26.587 -17.568 240 HD13 LEU 27 HD13 LEU 27 -8.892 27.255 -16.526 241 HD21 LEU 27 HD21 LEU 27 -8.251 24.153 -19.285 242 HD22 LEU 27 HD22 LEU 27 -8.903 25.737 -19.706 243 HD23 LEU 27 HD23 LEU 27 -9.867 24.612 -18.749 244 HA PRO 28 HA PRO 28 -4.287 23.450 -21.237 245 HB2 PRO 28 HB2 PRO 28 -3.370 21.102 -20.230 246 HB3 PRO 28 HB3 PRO 28 -2.387 22.570 -20.291 247 HG2 PRO 28 HG2 PRO 28 -3.913 21.405 -17.994 248 HG3 PRO 28 HG3 PRO 28 -2.285 22.108 -18.014 249 HD2 PRO 28 HD2 PRO 28 -4.451 23.478 -17.142 250 HD3 PRO 28 HD3 PRO 28 -3.080 24.270 -17.944 251 H GLN 29 H GLN 29 -6.678 22.837 -19.016 252 HA GLN 29 HA GLN 29 -7.611 20.306 -19.969 253 HB2 GLN 29 HB2 GLN 29 -9.218 22.387 -18.489 254 HB3 GLN 29 HB3 GLN 29 -9.512 20.655 -18.558 255 HG2 GLN 29 HG2 GLN 29 -7.721 20.172 -17.145 256 HG3 GLN 29 HG3 GLN 29 -6.989 21.758 -17.383 257 HE21 GLN 29 HE21 GLN 29 -7.368 23.269 -15.915 258 HE22 GLN 29 HE22 GLN 29 -8.581 23.198 -14.687 259 H TYR 30 H TYR 30 -7.340 21.187 -22.282 260 HA TYR 30 HA TYR 30 -9.904 21.452 -23.423 261 HB2 TYR 30 HB2 TYR 30 -9.893 23.687 -24.245 262 HB3 TYR 30 HB3 TYR 30 -9.548 23.789 -22.522 263 HD1 TYR 30 HD1 TYR 30 -6.881 23.605 -22.024 264 HD2 TYR 30 HD2 TYR 30 -8.659 25.077 -25.598 265 HE1 TYR 30 HE1 TYR 30 -4.838 24.887 -22.505 266 HE2 TYR 30 HE2 TYR 30 -6.621 26.362 -26.090 267 HH TYR 30 HH TYR 30 -4.438 27.202 -24.040 268 H LEU 31 H LEU 31 -6.434 21.855 -23.747 269 HA LEU 31 HA LEU 31 -6.318 21.676 -26.571 270 HB2 LEU 31 HB2 LEU 31 -4.525 22.506 -24.975 271 HB3 LEU 31 HB3 LEU 31 -4.157 20.810 -24.669 272 HG LEU 31 HG LEU 31 -3.712 20.578 -27.140 273 HD11 LEU 31 HD11 LEU 31 -4.600 22.311 -28.297 274 HD12 LEU 31 HD12 LEU 31 -3.000 22.996 -28.012 275 HD13 LEU 31 HD13 LEU 31 -4.354 23.462 -26.983 276 HD21 LEU 31 HD21 LEU 31 -1.675 22.465 -26.551 277 HD22 LEU 31 HD22 LEU 31 -1.606 20.705 -26.461 278 HD23 LEU 31 HD23 LEU 31 -2.110 21.641 -25.053 279 H LYS 32 H LYS 32 -5.287 19.243 -24.172 280 HA LYS 32 HA LYS 32 -5.285 16.970 -24.216 281 HB2 LYS 32 HB2 LYS 32 -7.733 17.322 -24.408 282 HB3 LYS 32 HB3 LYS 32 -7.576 17.314 -26.160 283 HG2 LYS 32 HG2 LYS 32 -6.341 14.964 -25.302 284 HG3 LYS 32 HG3 LYS 32 -7.808 15.108 -24.331 285 HD2 LYS 32 HD2 LYS 32 -9.192 15.128 -26.223 286 HD3 LYS 32 HD3 LYS 32 -7.850 15.500 -27.308 287 HE2 LYS 32 HE2 LYS 32 -6.916 13.286 -26.941 288 HE3 LYS 32 HE3 LYS 32 -8.203 12.913 -25.795 289 HZ1 LYS 32 HZ1 LYS 32 -8.242 12.889 -28.680 290 HZ2 LYS 32 HZ2 LYS 32 -9.583 13.647 -27.982 291 HZ3 LYS 32 HZ3 LYS 32 -9.210 12.047 -27.577 Start of MODEL 12 1 H1 THR 2 H THR 2 1.198 0.456 2.890 2 HA THR 2 HA THR 2 2.554 -0.236 1.172 3 HB THR 2 HB THR 2 0.830 0.908 -0.969 4 HG1 THR 2 HG1 THR 2 0.113 -1.289 0.692 5 HG21 THR 2 HG21 THR 2 2.068 -0.469 -2.207 6 HG22 THR 2 HG22 THR 2 1.520 -1.852 -1.260 7 HG23 THR 2 HG23 THR 2 2.950 -0.949 -0.758 8 H LYS 3 H LYS 3 4.048 0.720 -0.371 9 HA LYS 3 HA LYS 3 4.390 3.575 0.144 10 HB2 LYS 3 HB2 LYS 3 6.668 3.193 -0.838 11 HB3 LYS 3 HB3 LYS 3 6.332 2.263 0.617 12 HG2 LYS 3 HG2 LYS 3 5.612 0.823 -1.795 13 HG3 LYS 3 HG3 LYS 3 7.315 1.286 -1.767 14 HD2 LYS 3 HD2 LYS 3 6.259 0.189 0.755 15 HD3 LYS 3 HD3 LYS 3 6.324 -0.945 -0.596 16 HE2 LYS 3 HE2 LYS 3 8.722 0.722 -0.223 17 HE3 LYS 3 HE3 LYS 3 8.396 -0.431 1.069 18 HZ1 LYS 3 HZ1 LYS 3 9.244 -2.009 -0.205 19 HZ2 LYS 3 HZ2 LYS 3 9.489 -0.916 -1.473 20 HZ3 LYS 3 HZ3 LYS 3 8.026 -1.757 -1.352 21 H LEU 4 H LEU 4 3.512 1.403 -2.376 22 HA LEU 4 HA LEU 4 3.977 3.391 -4.462 23 HB2 LEU 4 HB2 LEU 4 3.604 0.499 -4.354 24 HB3 LEU 4 HB3 LEU 4 2.697 1.271 -5.653 25 HG LEU 4 HG LEU 4 4.895 2.334 -6.358 26 HD11 LEU 4 HD11 LEU 4 6.766 0.567 -5.553 27 HD12 LEU 4 HD12 LEU 4 5.780 0.674 -4.095 28 HD13 LEU 4 HD13 LEU 4 6.492 2.132 -4.786 29 HD21 LEU 4 HD21 LEU 4 5.018 -0.651 -6.531 30 HD22 LEU 4 HD22 LEU 4 5.382 0.558 -7.763 31 HD23 LEU 4 HD23 LEU 4 3.707 0.237 -7.308 32 H THR 5 H THR 5 1.258 1.338 -3.399 33 HA THR 5 HA THR 5 -0.763 2.552 -4.830 34 HB THR 5 HB THR 5 -1.541 1.809 -2.089 35 HG1 THR 5 HG1 THR 5 -1.118 -0.501 -2.796 36 HG21 THR 5 HG21 THR 5 -3.225 2.015 -3.776 37 HG22 THR 5 HG22 THR 5 -3.065 0.300 -3.397 38 HG23 THR 5 HG23 THR 5 -2.341 0.950 -4.867 39 H GLU 6 H GLU 6 0.403 3.393 -1.576 40 HA GLU 6 HA GLU 6 -1.388 5.440 -1.010 41 HB2 GLU 6 HB2 GLU 6 1.401 4.818 -0.135 42 HB3 GLU 6 HB3 GLU 6 0.702 6.370 0.306 43 HG2 GLU 6 HG2 GLU 6 0.488 4.460 1.971 44 HG3 GLU 6 HG3 GLU 6 -0.964 5.390 1.604 45 H GLU 7 H GLU 7 1.910 5.795 -2.331 46 HA GLU 7 HA GLU 7 1.864 8.512 -2.811 47 HB2 GLU 7 HB2 GLU 7 3.314 6.218 -4.054 48 HB3 GLU 7 HB3 GLU 7 3.410 7.789 -4.837 49 HG2 GLU 7 HG2 GLU 7 3.873 8.019 -2.003 50 HG3 GLU 7 HG3 GLU 7 4.972 6.853 -2.738 51 H GLU 8 H GLU 8 1.114 5.955 -5.186 52 HA GLU 8 HA GLU 8 0.309 7.580 -7.274 53 HB2 GLU 8 HB2 GLU 8 -0.022 4.780 -6.527 54 HB3 GLU 8 HB3 GLU 8 -1.381 5.392 -7.459 55 HG2 GLU 8 HG2 GLU 8 -0.220 5.264 -9.334 56 HG3 GLU 8 HG3 GLU 8 1.069 6.257 -8.656 57 H LYS 9 H LYS 9 -1.509 6.491 -4.466 58 HA LYS 9 HA LYS 9 -4.026 7.495 -5.371 59 HB2 LYS 9 HB2 LYS 9 -3.878 5.687 -3.722 60 HB3 LYS 9 HB3 LYS 9 -3.092 6.775 -2.586 61 HG2 LYS 9 HG2 LYS 9 -5.501 8.010 -3.376 62 HG3 LYS 9 HG3 LYS 9 -5.871 6.324 -3.009 63 HD2 LYS 9 HD2 LYS 9 -5.159 6.515 -0.807 64 HD3 LYS 9 HD3 LYS 9 -4.168 7.935 -1.147 65 HE2 LYS 9 HE2 LYS 9 -5.872 9.340 -0.787 66 HE3 LYS 9 HE3 LYS 9 -6.997 8.349 -1.713 67 HZ1 LYS 9 HZ1 LYS 9 -6.306 8.169 1.149 68 HZ2 LYS 9 HZ2 LYS 9 -6.950 6.834 0.335 69 HZ3 LYS 9 HZ3 LYS 9 -7.834 8.273 0.430 70 H ASN 10 H ASN 10 -1.303 8.835 -3.687 71 HA ASN 10 HA ASN 10 -2.675 11.106 -2.619 72 HB2 ASN 10 HB2 ASN 10 0.286 10.713 -3.110 73 HB3 ASN 10 HB3 ASN 10 -0.441 11.953 -2.091 74 HD21 ASN 10 HD21 ASN 10 1.466 9.834 -1.438 75 HD22 ASN 10 HD22 ASN 10 0.737 8.920 -0.166 76 H ARG 11 H ARG 11 -0.692 10.498 -5.487 77 HA ARG 11 HA ARG 11 -0.427 13.063 -6.467 78 HB2 ARG 11 HB2 ARG 11 0.590 10.974 -7.423 79 HB3 ARG 11 HB3 ARG 11 -0.967 10.621 -8.160 80 HG2 ARG 11 HG2 ARG 11 -0.632 13.087 -9.101 81 HG3 ARG 11 HG3 ARG 11 1.063 12.646 -8.882 82 HD2 ARG 11 HD2 ARG 11 0.194 10.420 -10.081 83 HD3 ARG 11 HD3 ARG 11 -0.961 11.569 -10.755 84 HE ARG 11 HE ARG 11 1.713 12.527 -10.953 85 HH11 ARG 11 HH11 ARG 11 0.155 10.396 -13.963 86 HH12 ARG 11 HH12 ARG 11 -0.583 10.344 -12.396 87 HH21 ARG 11 HH21 ARG 11 2.019 11.681 -14.311 88 HH22 ARG 11 HH22 ARG 11 2.693 12.604 -13.011 89 H LEU 12 H LEU 12 -3.179 10.872 -6.723 90 HA LEU 12 HA LEU 12 -4.694 12.411 -8.536 91 HB2 LEU 12 HB2 LEU 12 -5.949 10.713 -6.419 92 HB3 LEU 12 HB3 LEU 12 -6.464 10.975 -8.084 93 HG LEU 12 HG LEU 12 -4.183 9.254 -7.123 94 HD11 LEU 12 HD11 LEU 12 -5.479 7.452 -7.596 95 HD12 LEU 12 HD12 LEU 12 -6.367 8.282 -8.873 96 HD13 LEU 12 HD13 LEU 12 -6.758 8.593 -7.181 97 HD21 LEU 12 HD21 LEU 12 -3.197 9.633 -9.078 98 HD22 LEU 12 HD22 LEU 12 -4.561 10.593 -9.653 99 HD23 LEU 12 HD23 LEU 12 -4.571 8.839 -9.847 100 H ASN 13 H ASN 13 -4.263 12.569 -5.074 101 HA ASN 13 HA ASN 13 -6.448 14.424 -4.695 102 HB2 ASN 13 HB2 ASN 13 -4.353 13.250 -2.880 103 HB3 ASN 13 HB3 ASN 13 -5.392 14.567 -2.343 104 HD21 ASN 13 HD21 ASN 13 -5.999 11.698 -4.333 105 HD22 ASN 13 HD22 ASN 13 -7.272 11.073 -3.347 106 H PHE 14 H PHE 14 -2.919 14.525 -4.806 107 HA PHE 14 HA PHE 14 -2.657 17.256 -4.112 108 HB2 PHE 14 HB2 PHE 14 -0.721 15.910 -3.883 109 HB3 PHE 14 HB3 PHE 14 -0.845 15.313 -5.535 110 HD1 PHE 14 HD1 PHE 14 -0.519 18.575 -3.749 111 HD2 PHE 14 HD2 PHE 14 0.633 16.163 -7.062 112 HE1 PHE 14 HE1 PHE 14 1.020 20.343 -4.498 113 HE2 PHE 14 HE2 PHE 14 2.174 17.927 -7.815 114 HZ PHE 14 HZ PHE 14 2.370 20.020 -6.533 115 H LEU 15 H LEU 15 -2.861 15.576 -7.222 116 HA LEU 15 HA LEU 15 -2.449 17.838 -8.852 117 HB2 LEU 15 HB2 LEU 15 -2.554 15.239 -9.356 118 HB3 LEU 15 HB3 LEU 15 -4.220 15.635 -9.773 119 HG LEU 15 HG LEU 15 -2.985 15.659 -11.791 120 HD11 LEU 15 HD11 LEU 15 -3.312 17.882 -12.579 121 HD12 LEU 15 HD12 LEU 15 -3.181 18.543 -10.950 122 HD13 LEU 15 HD13 LEU 15 -4.571 17.551 -11.389 123 HD21 LEU 15 HD21 LEU 15 -1.062 17.694 -11.463 124 HD22 LEU 15 HD22 LEU 15 -0.791 15.979 -11.775 125 HD23 LEU 15 HD23 LEU 15 -0.861 16.574 -10.116 126 H LYS 16 H LYS 16 -5.399 16.320 -7.607 127 HA LYS 16 HA LYS 16 -7.160 18.152 -8.914 128 HB2 LYS 16 HB2 LYS 16 -7.623 16.265 -6.597 129 HB3 LYS 16 HB3 LYS 16 -8.891 17.160 -7.425 130 HG2 LYS 16 HG2 LYS 16 -7.102 15.450 -9.063 131 HG3 LYS 16 HG3 LYS 16 -8.308 14.662 -8.043 132 HD2 LYS 16 HD2 LYS 16 -9.598 14.957 -9.886 133 HD3 LYS 16 HD3 LYS 16 -9.852 16.544 -9.155 134 HE2 LYS 16 HE2 LYS 16 -9.172 17.355 -11.127 135 HE3 LYS 16 HE3 LYS 16 -7.551 16.927 -10.582 136 HZ1 LYS 16 HZ1 LYS 16 -7.433 15.611 -12.344 137 HZ2 LYS 16 HZ2 LYS 16 -9.067 15.835 -12.720 138 HZ3 LYS 16 HZ3 LYS 16 -8.608 14.617 -11.639 139 H LYS 17 H LYS 17 -5.500 18.066 -5.851 140 HA LYS 17 HA LYS 17 -7.045 20.066 -4.550 141 HB2 LYS 17 HB2 LYS 17 -5.702 18.559 -3.234 142 HB3 LYS 17 HB3 LYS 17 -4.237 19.062 -4.066 143 HG2 LYS 17 HG2 LYS 17 -5.705 21.241 -2.770 144 HG3 LYS 17 HG3 LYS 17 -5.070 20.017 -1.668 145 HD2 LYS 17 HD2 LYS 17 -2.846 20.283 -2.746 146 HD3 LYS 17 HD3 LYS 17 -3.513 21.604 -3.707 147 HE2 LYS 17 HE2 LYS 17 -3.789 22.979 -1.842 148 HE3 LYS 17 HE3 LYS 17 -3.694 21.626 -0.715 149 HZ1 LYS 17 HZ1 LYS 17 -1.496 22.930 -2.201 150 HZ2 LYS 17 HZ2 LYS 17 -1.316 21.389 -1.528 151 HZ3 LYS 17 HZ3 LYS 17 -1.654 22.713 -0.531 152 H ILE 18 H ILE 18 -4.252 20.125 -6.665 153 HA ILE 18 HA ILE 18 -3.877 22.985 -6.282 154 HB ILE 18 HB ILE 18 -1.989 22.774 -7.808 155 HG12 ILE 18 HG12 ILE 18 -2.932 19.916 -8.094 156 HG13 ILE 18 HG13 ILE 18 -2.829 21.132 -9.363 157 HG21 ILE 18 HG21 ILE 18 -2.171 21.727 -5.277 158 HG22 ILE 18 HG22 ILE 18 -1.424 20.418 -6.192 159 HG23 ILE 18 HG23 ILE 18 -0.676 22.015 -6.168 160 HD11 ILE 18 HD11 ILE 18 -0.360 21.159 -9.022 161 HD12 ILE 18 HD12 ILE 18 -0.556 19.789 -7.928 162 HD13 ILE 18 HD13 ILE 18 -1.006 19.634 -9.626 163 H SER 19 H SER 19 -5.323 20.775 -8.537 164 HA SER 19 HA SER 19 -5.414 22.260 -10.863 165 HB2 SER 19 HB2 SER 19 -6.693 20.551 -11.555 166 HB3 SER 19 HB3 SER 19 -6.623 19.918 -9.911 167 HG SER 19 HG SER 19 -8.678 21.207 -11.230 168 H GLN 20 H GLN 20 -7.523 22.454 -8.031 169 HA GLN 20 HA GLN 20 -9.457 24.186 -8.987 170 HB2 GLN 20 HB2 GLN 20 -8.356 23.534 -6.315 171 HB3 GLN 20 HB3 GLN 20 -9.265 25.034 -6.437 172 HG2 GLN 20 HG2 GLN 20 -11.147 23.894 -6.279 173 HG3 GLN 20 HG3 GLN 20 -10.756 23.052 -7.778 174 HE21 GLN 20 HE21 GLN 20 -10.329 20.943 -7.702 175 HE22 GLN 20 HE22 GLN 20 -10.144 20.016 -6.256 176 H ARG 21 H ARG 21 -6.149 24.811 -8.181 177 HA ARG 21 HA ARG 21 -6.569 27.707 -8.291 178 HB2 ARG 21 HB2 ARG 21 -5.151 27.341 -6.520 179 HB3 ARG 21 HB3 ARG 21 -4.407 25.934 -7.268 180 HG2 ARG 21 HG2 ARG 21 -3.110 27.337 -8.732 181 HG3 ARG 21 HG3 ARG 21 -3.934 28.778 -8.132 182 HD2 ARG 21 HD2 ARG 21 -2.021 28.850 -6.877 183 HD3 ARG 21 HD3 ARG 21 -3.062 27.909 -5.809 184 HE ARG 21 HE ARG 21 -1.736 26.065 -6.179 185 HH11 ARG 21 HH11 ARG 21 0.521 27.787 -9.002 186 HH12 ARG 21 HH12 ARG 21 -0.908 28.585 -8.434 187 HH21 ARG 21 HH21 ARG 21 1.117 25.750 -8.140 188 HH22 ARG 21 HH22 ARG 21 0.143 25.005 -6.919 189 H TYR 22 H TYR 22 -4.691 25.141 -9.863 190 HA TYR 22 HA TYR 22 -3.611 26.914 -11.847 191 HB2 TYR 22 HB2 TYR 22 -3.080 24.285 -10.942 192 HB3 TYR 22 HB3 TYR 22 -3.470 24.164 -12.654 193 HD1 TYR 22 HD1 TYR 22 -0.766 23.711 -11.155 194 HD2 TYR 22 HD2 TYR 22 -2.381 26.966 -13.368 195 HE1 TYR 22 HE1 TYR 22 1.511 24.449 -11.720 196 HE2 TYR 22 HE2 TYR 22 -0.109 27.713 -13.940 197 HH TYR 22 HH TYR 22 2.733 25.832 -13.005 198 H GLN 23 H GLN 23 -6.097 27.526 -12.120 199 HA GLN 23 HA GLN 23 -6.924 26.217 -14.608 200 HB2 GLN 23 HB2 GLN 23 -8.429 26.318 -12.083 201 HB3 GLN 23 HB3 GLN 23 -9.343 26.829 -13.495 202 HG2 GLN 23 HG2 GLN 23 -8.389 24.628 -14.535 203 HG3 GLN 23 HG3 GLN 23 -8.186 24.166 -12.846 204 HE21 GLN 23 HE21 GLN 23 -10.650 25.762 -14.847 205 HE22 GLN 23 HE22 GLN 23 -11.982 24.846 -14.237 206 H LYS 24 H LYS 24 -5.772 28.884 -13.468 207 HA LYS 24 HA LYS 24 -7.594 30.629 -14.993 208 HB2 LYS 24 HB2 LYS 24 -6.897 32.483 -13.518 209 HB3 LYS 24 HB3 LYS 24 -7.711 31.198 -12.635 210 HG2 LYS 24 HG2 LYS 24 -5.607 30.373 -11.802 211 HG3 LYS 24 HG3 LYS 24 -4.724 31.545 -12.782 212 HD2 LYS 24 HD2 LYS 24 -4.803 32.409 -10.568 213 HD3 LYS 24 HD3 LYS 24 -5.941 33.355 -11.530 214 HE2 LYS 24 HE2 LYS 24 -7.606 32.798 -10.170 215 HE3 LYS 24 HE3 LYS 24 -7.289 31.084 -10.435 216 HZ1 LYS 24 HZ1 LYS 24 -5.644 31.143 -8.677 217 HZ2 LYS 24 HZ2 LYS 24 -7.139 31.678 -8.094 218 HZ3 LYS 24 HZ3 LYS 24 -5.916 32.795 -8.433 219 H PHE 25 H PHE 25 -4.293 29.764 -14.217 220 HA PHE 25 HA PHE 25 -2.836 31.739 -15.437 221 HB2 PHE 25 HB2 PHE 25 -1.054 30.176 -15.653 222 HB3 PHE 25 HB3 PHE 25 -1.960 29.696 -14.222 223 HD1 PHE 25 HD1 PHE 25 -0.302 28.443 -16.933 224 HD2 PHE 25 HD2 PHE 25 -4.031 28.042 -14.920 225 HE1 PHE 25 HE1 PHE 25 -0.556 26.179 -17.862 226 HE2 PHE 25 HE2 PHE 25 -4.291 25.777 -15.844 227 HZ PHE 25 HZ PHE 25 -2.552 24.842 -17.317 228 H ALA 26 H ALA 26 -4.692 29.183 -16.937 229 HA ALA 26 HA ALA 26 -5.022 30.489 -19.368 230 HB1 ALA 26 HB1 ALA 26 -2.545 28.906 -19.176 231 HB2 ALA 26 HB2 ALA 26 -3.516 28.643 -20.625 232 HB3 ALA 26 HB3 ALA 26 -2.949 30.265 -20.226 233 H LEU 27 H LEU 27 -4.315 27.158 -18.295 234 HA LEU 27 HA LEU 27 -5.551 25.249 -18.354 235 HB2 LEU 27 HB2 LEU 27 -7.230 26.865 -17.304 236 HB3 LEU 27 HB3 LEU 27 -7.972 26.940 -18.901 237 HG LEU 27 HG LEU 27 -8.473 24.568 -18.811 238 HD11 LEU 27 HD11 LEU 27 -6.711 24.686 -16.442 239 HD12 LEU 27 HD12 LEU 27 -6.935 23.404 -17.631 240 HD13 LEU 27 HD13 LEU 27 -8.114 23.622 -16.338 241 HD21 LEU 27 HD21 LEU 27 -9.335 26.239 -16.470 242 HD22 LEU 27 HD22 LEU 27 -9.973 24.617 -16.744 243 HD23 LEU 27 HD23 LEU 27 -10.216 25.878 -17.954 244 HA PRO 28 HA PRO 28 -5.553 25.608 -23.013 245 HB2 PRO 28 HB2 PRO 28 -3.544 23.825 -23.407 246 HB3 PRO 28 HB3 PRO 28 -3.259 25.549 -23.142 247 HG2 PRO 28 HG2 PRO 28 -3.077 23.279 -21.199 248 HG3 PRO 28 HG3 PRO 28 -1.983 24.658 -21.415 249 HD2 PRO 28 HD2 PRO 28 -3.835 24.562 -19.442 250 HD3 PRO 28 HD3 PRO 28 -3.338 26.083 -20.212 251 H GLN 29 H GLN 29 -7.649 24.497 -22.411 252 HA GLN 29 HA GLN 29 -7.563 21.777 -23.423 253 HB2 GLN 29 HB2 GLN 29 -8.671 20.747 -21.621 254 HB3 GLN 29 HB3 GLN 29 -7.405 21.713 -20.875 255 HG2 GLN 29 HG2 GLN 29 -9.144 23.504 -20.526 256 HG3 GLN 29 HG3 GLN 29 -10.345 22.305 -21.005 257 HE21 GLN 29 HE21 GLN 29 -10.434 23.502 -18.540 258 HE22 GLN 29 HE22 GLN 29 -10.064 22.338 -17.318 259 H TYR 30 H TYR 30 -8.600 24.526 -24.126 260 HA TYR 30 HA TYR 30 -11.424 23.780 -24.525 261 HB2 TYR 30 HB2 TYR 30 -11.796 26.276 -24.787 262 HB3 TYR 30 HB3 TYR 30 -11.393 25.728 -23.164 263 HD1 TYR 30 HD1 TYR 30 -10.270 27.657 -26.053 264 HD2 TYR 30 HD2 TYR 30 -9.212 26.240 -22.183 265 HE1 TYR 30 HE1 TYR 30 -8.407 29.261 -25.981 266 HE2 TYR 30 HE2 TYR 30 -7.347 27.841 -22.100 267 HH TYR 30 HH TYR 30 -6.883 30.254 -24.619 268 H LEU 31 H LEU 31 -8.560 25.237 -25.978 269 HA LEU 31 HA LEU 31 -9.662 25.779 -28.511 270 HB2 LEU 31 HB2 LEU 31 -7.436 26.548 -27.483 271 HB3 LEU 31 HB3 LEU 31 -6.795 25.014 -28.067 272 HG LEU 31 HG LEU 31 -8.191 26.518 -30.136 273 HD11 LEU 31 HD11 LEU 31 -7.454 28.543 -29.466 274 HD12 LEU 31 HD12 LEU 31 -5.955 27.994 -30.215 275 HD13 LEU 31 HD13 LEU 31 -6.165 27.868 -28.468 276 HD21 LEU 31 HD21 LEU 31 -6.624 24.502 -30.305 277 HD22 LEU 31 HD22 LEU 31 -5.315 25.661 -30.069 278 HD23 LEU 31 HD23 LEU 31 -6.393 25.817 -31.457 279 H LYS 32 H LYS 32 -8.459 22.862 -27.053 280 HA LYS 32 HA LYS 32 -8.593 21.446 -29.617 281 HB2 LYS 32 HB2 LYS 32 -7.552 19.562 -28.337 282 HB3 LYS 32 HB3 LYS 32 -6.565 21.016 -28.416 283 HG2 LYS 32 HG2 LYS 32 -6.680 21.379 -26.196 284 HG3 LYS 32 HG3 LYS 32 -8.339 20.789 -26.074 285 HD2 LYS 32 HD2 LYS 32 -7.124 18.485 -26.654 286 HD3 LYS 32 HD3 LYS 32 -5.773 19.316 -25.880 287 HE2 LYS 32 HE2 LYS 32 -6.814 19.394 -23.838 288 HE3 LYS 32 HE3 LYS 32 -8.430 19.372 -24.541 289 HZ1 LYS 32 HZ1 LYS 32 -7.604 17.290 -23.341 290 HZ2 LYS 32 HZ2 LYS 32 -6.668 17.012 -24.721 291 HZ3 LYS 32 HZ3 LYS 32 -8.353 17.088 -24.844 Start of MODEL 13 1 H1 THR 2 H THR 2 1.620 1.438 0.396 2 HA THR 2 HA THR 2 2.963 -0.582 -1.184 3 HB THR 2 HB THR 2 0.885 0.896 -2.713 4 HG1 THR 2 HG1 THR 2 -0.679 -0.667 -2.170 5 HG21 THR 2 HG21 THR 2 2.449 -0.519 -3.896 6 HG22 THR 2 HG22 THR 2 0.844 -1.248 -3.965 7 HG23 THR 2 HG23 THR 2 2.055 -1.884 -2.852 8 H LYS 3 H LYS 3 4.100 0.319 -3.025 9 HA LYS 3 HA LYS 3 5.065 2.986 -2.458 10 HB2 LYS 3 HB2 LYS 3 6.673 2.502 -4.308 11 HB3 LYS 3 HB3 LYS 3 6.716 1.329 -2.997 12 HG2 LYS 3 HG2 LYS 3 4.842 0.459 -4.967 13 HG3 LYS 3 HG3 LYS 3 6.375 0.854 -5.749 14 HD2 LYS 3 HD2 LYS 3 7.566 -0.623 -4.258 15 HD3 LYS 3 HD3 LYS 3 6.094 -0.935 -3.335 16 HE2 LYS 3 HE2 LYS 3 5.255 -2.353 -4.898 17 HE3 LYS 3 HE3 LYS 3 5.987 -1.478 -6.242 18 HZ1 LYS 3 HZ1 LYS 3 7.354 -3.239 -6.279 19 HZ2 LYS 3 HZ2 LYS 3 7.038 -3.676 -4.677 20 HZ3 LYS 3 HZ3 LYS 3 8.149 -2.446 -5.013 21 H LEU 4 H LEU 4 2.859 1.484 -4.629 22 HA LEU 4 HA LEU 4 2.835 3.828 -6.389 23 HB2 LEU 4 HB2 LEU 4 2.369 1.026 -6.758 24 HB3 LEU 4 HB3 LEU 4 0.937 1.931 -7.243 25 HG LEU 4 HG LEU 4 2.499 1.441 -9.106 26 HD11 LEU 4 HD11 LEU 4 2.393 3.625 -10.090 27 HD12 LEU 4 HD12 LEU 4 2.252 4.383 -8.504 28 HD13 LEU 4 HD13 LEU 4 0.942 3.374 -9.119 29 HD21 LEU 4 HD21 LEU 4 4.364 3.541 -8.178 30 HD22 LEU 4 HD22 LEU 4 4.664 2.105 -9.157 31 HD23 LEU 4 HD23 LEU 4 4.496 1.960 -7.407 32 H THR 5 H THR 5 0.668 1.840 -4.405 33 HA THR 5 HA THR 5 -1.706 3.212 -4.819 34 HB THR 5 HB THR 5 -0.887 2.047 -2.157 35 HG1 THR 5 HG1 THR 5 -1.699 0.785 -4.565 36 HG21 THR 5 HG21 THR 5 -3.051 2.183 -1.582 37 HG22 THR 5 HG22 THR 5 -3.595 1.610 -3.159 38 HG23 THR 5 HG23 THR 5 -3.205 3.314 -2.925 39 H GLU 6 H GLU 6 0.721 3.760 -2.267 40 HA GLU 6 HA GLU 6 -0.527 5.904 -1.008 41 HB2 GLU 6 HB2 GLU 6 2.394 5.217 -1.315 42 HB3 GLU 6 HB3 GLU 6 1.830 6.550 -0.317 43 HG2 GLU 6 HG2 GLU 6 0.463 4.042 0.244 44 HG3 GLU 6 HG3 GLU 6 2.204 3.964 0.506 45 H GLU 7 H GLU 7 2.189 6.142 -3.313 46 HA GLU 7 HA GLU 7 2.164 8.867 -3.687 47 HB2 GLU 7 HB2 GLU 7 2.905 6.600 -5.512 48 HB3 GLU 7 HB3 GLU 7 3.014 8.266 -6.062 49 HG2 GLU 7 HG2 GLU 7 4.310 8.363 -3.658 50 HG3 GLU 7 HG3 GLU 7 4.747 6.766 -4.262 51 H GLU 8 H GLU 8 0.499 6.468 -5.737 52 HA GLU 8 HA GLU 8 -0.803 8.221 -7.433 53 HB2 GLU 8 HB2 GLU 8 -1.493 5.477 -6.432 54 HB3 GLU 8 HB3 GLU 8 -2.595 6.338 -7.497 55 HG2 GLU 8 HG2 GLU 8 0.226 6.200 -8.353 56 HG3 GLU 8 HG3 GLU 8 -0.687 4.692 -8.376 57 H LYS 9 H LYS 9 -1.820 7.036 -4.258 58 HA LYS 9 HA LYS 9 -4.361 8.291 -4.270 59 HB2 LYS 9 HB2 LYS 9 -4.023 6.485 -2.756 60 HB3 LYS 9 HB3 LYS 9 -2.603 7.249 -2.053 61 HG2 LYS 9 HG2 LYS 9 -5.065 8.826 -1.843 62 HG3 LYS 9 HG3 LYS 9 -5.087 7.293 -0.968 63 HD2 LYS 9 HD2 LYS 9 -3.407 7.926 0.457 64 HD3 LYS 9 HD3 LYS 9 -2.684 9.032 -0.714 65 HE2 LYS 9 HE2 LYS 9 -4.594 10.565 -0.390 66 HE3 LYS 9 HE3 LYS 9 -5.235 9.473 0.836 67 HZ1 LYS 9 HZ1 LYS 9 -3.195 11.446 1.069 68 HZ2 LYS 9 HZ2 LYS 9 -2.640 9.934 1.587 69 HZ3 LYS 9 HZ3 LYS 9 -4.024 10.612 2.286 70 H ASN 10 H ASN 10 -1.164 9.428 -3.653 71 HA ASN 10 HA ASN 10 -2.008 11.772 -2.190 72 HB2 ASN 10 HB2 ASN 10 0.696 11.173 -3.407 73 HB3 ASN 10 HB3 ASN 10 0.337 12.387 -2.183 74 HD21 ASN 10 HD21 ASN 10 2.163 10.076 -2.163 75 HD22 ASN 10 HD22 ASN 10 1.714 9.146 -0.778 76 H ARG 11 H ARG 11 -0.480 11.190 -5.360 77 HA ARG 11 HA ARG 11 -0.502 13.763 -6.340 78 HB2 ARG 11 HB2 ARG 11 0.340 11.494 -7.372 79 HB3 ARG 11 HB3 ARG 11 -1.227 11.510 -8.169 80 HG2 ARG 11 HG2 ARG 11 0.303 14.016 -8.340 81 HG3 ARG 11 HG3 ARG 11 0.998 12.631 -9.185 82 HD2 ARG 11 HD2 ARG 11 -1.188 12.286 -10.306 83 HD3 ARG 11 HD3 ARG 11 -1.777 13.757 -9.533 84 HE ARG 11 HE ARG 11 0.432 14.615 -10.804 85 HH11 ARG 11 HH11 ARG 11 -2.228 13.290 -13.487 86 HH12 ARG 11 HH12 ARG 11 -2.297 12.724 -11.851 87 HH21 ARG 11 HH21 ARG 11 -0.616 14.793 -14.114 88 HH22 ARG 11 HH22 ARG 11 0.534 15.368 -12.955 89 H LEU 12 H LEU 12 -3.154 11.498 -6.068 90 HA LEU 12 HA LEU 12 -4.987 12.812 -7.758 91 HB2 LEU 12 HB2 LEU 12 -5.080 10.726 -5.694 92 HB3 LEU 12 HB3 LEU 12 -6.575 11.639 -5.887 93 HG LEU 12 HG LEU 12 -6.789 10.952 -8.162 94 HD11 LEU 12 HD11 LEU 12 -3.940 10.407 -7.898 95 HD12 LEU 12 HD12 LEU 12 -4.899 10.767 -9.332 96 HD13 LEU 12 HD13 LEU 12 -4.824 9.118 -8.713 97 HD21 LEU 12 HD21 LEU 12 -6.043 8.709 -6.300 98 HD22 LEU 12 HD22 LEU 12 -6.739 8.439 -7.899 99 HD23 LEU 12 HD23 LEU 12 -7.652 9.326 -6.677 100 H ASN 13 H ASN 13 -4.462 13.017 -4.248 101 HA ASN 13 HA ASN 13 -6.466 15.014 -3.860 102 HB2 ASN 13 HB2 ASN 13 -4.252 13.914 -2.140 103 HB3 ASN 13 HB3 ASN 13 -5.242 15.268 -1.604 104 HD21 ASN 13 HD21 ASN 13 -6.020 12.309 -3.391 105 HD22 ASN 13 HD22 ASN 13 -7.217 11.748 -2.279 106 H PHE 14 H PHE 14 -2.961 15.046 -4.273 107 HA PHE 14 HA PHE 14 -2.565 17.781 -3.716 108 HB2 PHE 14 HB2 PHE 14 -0.646 16.389 -3.690 109 HB3 PHE 14 HB3 PHE 14 -0.982 15.765 -5.302 110 HD1 PHE 14 HD1 PHE 14 0.084 16.684 -7.134 111 HD2 PHE 14 HD2 PHE 14 -0.132 18.915 -3.516 112 HE1 PHE 14 HE1 PHE 14 1.562 18.395 -8.105 113 HE2 PHE 14 HE2 PHE 14 1.345 20.630 -4.481 114 HZ PHE 14 HZ PHE 14 2.194 20.372 -6.778 115 H LEU 15 H LEU 15 -3.244 16.039 -6.715 116 HA LEU 15 HA LEU 15 -2.990 18.293 -8.422 117 HB2 LEU 15 HB2 LEU 15 -2.957 15.790 -9.007 118 HB3 LEU 15 HB3 LEU 15 -4.715 15.909 -9.001 119 HG LEU 15 HG LEU 15 -4.631 17.533 -10.812 120 HD11 LEU 15 HD11 LEU 15 -2.284 17.692 -11.947 121 HD12 LEU 15 HD12 LEU 15 -1.695 17.348 -10.321 122 HD13 LEU 15 HD13 LEU 15 -2.703 18.766 -10.612 123 HD21 LEU 15 HD21 LEU 15 -4.859 15.526 -11.831 124 HD22 LEU 15 HD22 LEU 15 -3.429 14.843 -11.056 125 HD23 LEU 15 HD23 LEU 15 -3.252 15.918 -12.444 126 H LYS 16 H LYS 16 -5.749 16.734 -6.843 127 HA LYS 16 HA LYS 16 -7.691 18.490 -7.984 128 HB2 LYS 16 HB2 LYS 16 -7.862 16.686 -5.563 129 HB3 LYS 16 HB3 LYS 16 -9.228 17.492 -6.321 130 HG2 LYS 16 HG2 LYS 16 -7.577 15.841 -8.111 131 HG3 LYS 16 HG3 LYS 16 -8.474 14.969 -6.865 132 HD2 LYS 16 HD2 LYS 16 -10.015 15.023 -8.577 133 HD3 LYS 16 HD3 LYS 16 -10.463 16.467 -7.665 134 HE2 LYS 16 HE2 LYS 16 -9.520 17.900 -9.231 135 HE3 LYS 16 HE3 LYS 16 -8.488 16.640 -9.907 136 HZ1 LYS 16 HZ1 LYS 16 -10.774 17.478 -11.019 137 HZ2 LYS 16 HZ2 LYS 16 -11.328 16.144 -10.139 138 HZ3 LYS 16 HZ3 LYS 16 -10.097 15.949 -11.283 139 H LYS 17 H LYS 17 -5.558 18.656 -5.285 140 HA LYS 17 HA LYS 17 -7.052 20.658 -3.852 141 HB2 LYS 17 HB2 LYS 17 -5.628 19.178 -2.589 142 HB3 LYS 17 HB3 LYS 17 -4.228 19.628 -3.553 143 HG2 LYS 17 HG2 LYS 17 -4.240 21.847 -2.636 144 HG3 LYS 17 HG3 LYS 17 -5.749 21.526 -1.779 145 HD2 LYS 17 HD2 LYS 17 -4.337 19.542 -0.756 146 HD3 LYS 17 HD3 LYS 17 -2.984 20.590 -1.188 147 HE2 LYS 17 HE2 LYS 17 -4.083 22.427 0.074 148 HE3 LYS 17 HE3 LYS 17 -5.321 21.283 0.588 149 HZ1 LYS 17 HZ1 LYS 17 -3.172 19.958 1.331 150 HZ2 LYS 17 HZ2 LYS 17 -3.918 21.097 2.334 151 HZ3 LYS 17 HZ3 LYS 17 -2.544 21.525 1.445 152 H ILE 18 H ILE 18 -4.342 20.587 -6.098 153 HA ILE 18 HA ILE 18 -3.944 23.455 -5.894 154 HB ILE 18 HB ILE 18 -2.134 23.173 -7.463 155 HG12 ILE 18 HG12 ILE 18 -3.146 20.336 -7.744 156 HG13 ILE 18 HG13 ILE 18 -3.136 21.578 -8.992 157 HG21 ILE 18 HG21 ILE 18 -0.816 22.421 -5.839 158 HG22 ILE 18 HG22 ILE 18 -2.273 21.972 -4.953 159 HG23 ILE 18 HG23 ILE 18 -1.468 20.789 -5.985 160 HD11 ILE 18 HD11 ILE 18 -1.233 20.629 -9.647 161 HD12 ILE 18 HD12 ILE 18 -0.506 21.459 -8.270 162 HD13 ILE 18 HD13 ILE 18 -1.021 19.780 -8.116 163 H SER 19 H SER 19 -5.455 21.142 -8.030 164 HA SER 19 HA SER 19 -5.711 22.588 -10.365 165 HB2 SER 19 HB2 SER 19 -6.598 20.520 -10.701 166 HB3 SER 19 HB3 SER 19 -7.238 20.417 -9.061 167 HG SER 19 HG SER 19 -8.973 20.586 -10.423 168 H GLN 20 H GLN 20 -7.681 22.764 -7.435 169 HA GLN 20 HA GLN 20 -9.732 24.394 -8.299 170 HB2 GLN 20 HB2 GLN 20 -8.503 23.732 -5.732 171 HB3 GLN 20 HB3 GLN 20 -9.217 25.339 -5.756 172 HG2 GLN 20 HG2 GLN 20 -10.672 23.385 -4.995 173 HG3 GLN 20 HG3 GLN 20 -11.352 24.523 -6.157 174 HE21 GLN 20 HE21 GLN 20 -10.186 21.303 -5.639 175 HE22 GLN 20 HE22 GLN 20 -10.753 20.635 -7.128 176 H ARG 21 H ARG 21 -6.409 25.199 -7.661 177 HA ARG 21 HA ARG 21 -6.978 28.059 -7.955 178 HB2 ARG 21 HB2 ARG 21 -5.567 27.783 -6.123 179 HB3 ARG 21 HB3 ARG 21 -4.650 26.497 -6.897 180 HG2 ARG 21 HG2 ARG 21 -3.586 28.096 -8.369 181 HG3 ARG 21 HG3 ARG 21 -4.559 29.401 -7.686 182 HD2 ARG 21 HD2 ARG 21 -2.416 29.504 -6.657 183 HD3 ARG 21 HD3 ARG 21 -3.543 28.869 -5.459 184 HE ARG 21 HE ARG 21 -2.362 26.711 -6.790 185 HH11 ARG 21 HH11 ARG 21 -0.203 28.389 -3.867 186 HH12 ARG 21 HH12 ARG 21 -1.492 29.279 -4.607 187 HH21 ARG 21 HH21 ARG 21 0.266 26.256 -4.560 188 HH22 ARG 21 HH22 ARG 21 -0.668 25.529 -5.824 189 H TYR 22 H TYR 22 -5.218 25.401 -9.444 190 HA TYR 22 HA TYR 22 -4.129 27.100 -11.522 191 HB2 TYR 22 HB2 TYR 22 -3.438 24.611 -10.423 192 HB3 TYR 22 HB3 TYR 22 -3.923 24.273 -12.081 193 HD1 TYR 22 HD1 TYR 22 -2.120 27.173 -10.567 194 HD2 TYR 22 HD2 TYR 22 -2.009 23.945 -13.337 195 HE1 TYR 22 HE1 TYR 22 0.079 27.938 -11.361 196 HE2 TYR 22 HE2 TYR 22 0.191 24.700 -14.137 197 HH TYR 22 HH TYR 22 2.176 26.517 -12.622 198 H GLN 23 H GLN 23 -6.492 27.720 -11.983 199 HA GLN 23 HA GLN 23 -7.369 26.107 -14.259 200 HB2 GLN 23 HB2 GLN 23 -8.873 26.550 -11.770 201 HB3 GLN 23 HB3 GLN 23 -9.777 26.896 -13.237 202 HG2 GLN 23 HG2 GLN 23 -9.253 24.646 -14.070 203 HG3 GLN 23 HG3 GLN 23 -8.401 24.305 -12.565 204 HE21 GLN 23 HE21 GLN 23 -11.523 25.738 -13.473 205 HE22 GLN 23 HE22 GLN 23 -12.470 24.776 -12.395 206 H LYS 24 H LYS 24 -6.181 28.882 -13.437 207 HA LYS 24 HA LYS 24 -7.911 30.423 -15.256 208 HB2 LYS 24 HB2 LYS 24 -7.441 32.439 -13.956 209 HB3 LYS 24 HB3 LYS 24 -8.218 31.218 -12.957 210 HG2 LYS 24 HG2 LYS 24 -6.114 30.649 -11.933 211 HG3 LYS 24 HG3 LYS 24 -5.255 31.752 -13.011 212 HD2 LYS 24 HD2 LYS 24 -5.535 33.344 -11.479 213 HD3 LYS 24 HD3 LYS 24 -7.265 33.291 -11.823 214 HE2 LYS 24 HE2 LYS 24 -7.500 32.737 -9.669 215 HE3 LYS 24 HE3 LYS 24 -6.926 31.143 -10.155 216 HZ1 LYS 24 HZ1 LYS 24 -5.702 33.001 -8.431 217 HZ2 LYS 24 HZ2 LYS 24 -4.685 32.739 -9.756 218 HZ3 LYS 24 HZ3 LYS 24 -5.203 31.431 -8.818 219 H PHE 25 H PHE 25 -4.682 29.754 -14.068 220 HA PHE 25 HA PHE 25 -3.158 31.605 -15.403 221 HB2 PHE 25 HB2 PHE 25 -1.325 30.083 -15.239 222 HB3 PHE 25 HB3 PHE 25 -2.344 29.804 -13.831 223 HD1 PHE 25 HD1 PHE 25 -0.619 28.282 -16.481 224 HD2 PHE 25 HD2 PHE 25 -4.134 27.911 -14.109 225 HE1 PHE 25 HE1 PHE 25 -0.752 25.894 -17.058 226 HE2 PHE 25 HE2 PHE 25 -4.272 25.522 -14.682 227 HZ PHE 25 HZ PHE 25 -2.579 24.511 -16.157 228 H ALA 26 H ALA 26 -4.722 28.739 -16.691 229 HA ALA 26 HA ALA 26 -4.865 29.695 -19.306 230 HB1 ALA 26 HB1 ALA 26 -3.211 27.940 -20.285 231 HB2 ALA 26 HB2 ALA 26 -2.604 29.495 -19.713 232 HB3 ALA 26 HB3 ALA 26 -2.441 28.059 -18.703 233 H LEU 27 H LEU 27 -4.649 26.902 -17.192 234 HA LEU 27 HA LEU 27 -5.749 24.907 -17.146 235 HB2 LEU 27 HB2 LEU 27 -7.577 26.812 -17.076 236 HB3 LEU 27 HB3 LEU 27 -8.028 26.114 -18.630 237 HG LEU 27 HG LEU 27 -8.044 24.757 -15.940 238 HD11 LEU 27 HD11 LEU 27 -9.944 26.227 -16.407 239 HD12 LEU 27 HD12 LEU 27 -10.426 24.532 -16.362 240 HD13 LEU 27 HD13 LEU 27 -10.245 25.356 -17.911 241 HD21 LEU 27 HD21 LEU 27 -8.412 23.620 -18.703 242 HD22 LEU 27 HD22 LEU 27 -8.979 22.816 -17.239 243 HD23 LEU 27 HD23 LEU 27 -7.257 23.120 -17.468 244 HA PRO 28 HA PRO 28 -4.756 24.086 -21.635 245 HB2 PRO 28 HB2 PRO 28 -2.767 22.308 -21.132 246 HB3 PRO 28 HB3 PRO 28 -2.491 24.050 -21.249 247 HG2 PRO 28 HG2 PRO 28 -2.801 22.342 -18.811 248 HG3 PRO 28 HG3 PRO 28 -1.643 23.648 -19.122 249 HD2 PRO 28 HD2 PRO 28 -3.876 24.005 -17.633 250 HD3 PRO 28 HD3 PRO 28 -3.178 25.296 -18.632 251 H GLN 29 H GLN 29 -6.952 23.107 -21.309 252 HA GLN 29 HA GLN 29 -6.717 20.180 -21.100 253 HB2 GLN 29 HB2 GLN 29 -8.772 20.012 -19.957 254 HB3 GLN 29 HB3 GLN 29 -7.907 21.317 -19.155 255 HG2 GLN 29 HG2 GLN 29 -9.203 22.941 -20.496 256 HG3 GLN 29 HG3 GLN 29 -10.124 21.597 -21.169 257 HE21 GLN 29 HE21 GLN 29 -10.889 23.923 -19.475 258 HE22 GLN 29 HE22 GLN 29 -11.715 23.235 -18.122 259 H TYR 30 H TYR 30 -6.762 22.220 -23.359 260 HA TYR 30 HA TYR 30 -8.661 20.747 -25.012 261 HB2 TYR 30 HB2 TYR 30 -9.359 22.998 -26.046 262 HB3 TYR 30 HB3 TYR 30 -10.062 22.559 -24.493 263 HD1 TYR 30 HD1 TYR 30 -9.256 23.659 -22.418 264 HD2 TYR 30 HD2 TYR 30 -7.953 24.911 -26.270 265 HE1 TYR 30 HE1 TYR 30 -8.463 25.778 -21.454 266 HE2 TYR 30 HE2 TYR 30 -7.155 27.033 -25.316 267 HH TYR 30 HH TYR 30 -8.070 28.263 -22.546 268 H LEU 31 H LEU 31 -8.452 21.918 -27.372 269 HA LEU 31 HA LEU 31 -7.111 21.891 -29.220 270 HB2 LEU 31 HB2 LEU 31 -5.672 23.683 -29.353 271 HB3 LEU 31 HB3 LEU 31 -6.740 24.160 -28.035 272 HG LEU 31 HG LEU 31 -4.438 22.761 -27.013 273 HD11 LEU 31 HD11 LEU 31 -2.667 24.104 -27.709 274 HD12 LEU 31 HD12 LEU 31 -3.737 25.319 -28.409 275 HD13 LEU 31 HD13 LEU 31 -3.540 23.756 -29.202 276 HD21 LEU 31 HD21 LEU 31 -4.232 25.213 -26.014 277 HD22 LEU 31 HD22 LEU 31 -5.449 24.068 -25.450 278 HD23 LEU 31 HD23 LEU 31 -5.887 25.318 -26.614 279 H LYS 32 H LYS 32 -6.640 19.780 -27.208 280 HA LYS 32 HA LYS 32 -5.101 18.182 -26.623 281 HB2 LYS 32 HB2 LYS 32 -4.147 17.083 -28.493 282 HB3 LYS 32 HB3 LYS 32 -5.649 17.794 -29.068 283 HG2 LYS 32 HG2 LYS 32 -4.494 19.541 -30.185 284 HG3 LYS 32 HG3 LYS 32 -2.966 19.106 -29.415 285 HD2 LYS 32 HD2 LYS 32 -2.792 18.212 -31.568 286 HD3 LYS 32 HD3 LYS 32 -3.259 16.832 -30.572 287 HE2 LYS 32 HE2 LYS 32 -5.606 17.180 -31.245 288 HE3 LYS 32 HE3 LYS 32 -5.093 18.509 -32.284 289 HZ1 LYS 32 HZ1 LYS 32 -4.058 15.747 -32.569 290 HZ2 LYS 32 HZ2 LYS 32 -3.896 17.030 -33.659 291 HZ3 LYS 32 HZ3 LYS 32 -5.410 16.315 -33.414 Start of MODEL 14 1 H1 THR 2 H THR 2 1.466 -2.053 1.399 2 HA THR 2 HA THR 2 0.912 -0.614 -0.309 3 HB THR 2 HB THR 2 1.093 1.885 0.754 4 HG1 THR 2 HG1 THR 2 0.953 1.759 2.956 5 HG21 THR 2 HG21 THR 2 -0.890 0.114 0.167 6 HG22 THR 2 HG22 THR 2 -1.152 1.714 0.860 7 HG23 THR 2 HG23 THR 2 -1.094 0.298 1.909 8 H LYS 3 H LYS 3 1.677 0.684 -1.956 9 HA LYS 3 HA LYS 3 4.196 2.069 -1.710 10 HB2 LYS 3 HB2 LYS 3 5.056 -0.140 -2.120 11 HB3 LYS 3 HB3 LYS 3 3.930 -0.386 -3.449 12 HG2 LYS 3 HG2 LYS 3 5.062 1.283 -4.772 13 HG3 LYS 3 HG3 LYS 3 6.135 1.665 -3.423 14 HD2 LYS 3 HD2 LYS 3 6.392 -1.077 -3.735 15 HD3 LYS 3 HD3 LYS 3 6.303 -0.465 -5.389 16 HE2 LYS 3 HE2 LYS 3 8.105 0.802 -3.354 17 HE3 LYS 3 HE3 LYS 3 8.611 -0.626 -4.255 18 HZ1 LYS 3 HZ1 LYS 3 8.095 2.097 -5.230 19 HZ2 LYS 3 HZ2 LYS 3 7.874 0.792 -6.283 20 HZ3 LYS 3 HZ3 LYS 3 9.387 1.060 -5.575 21 H LEU 4 H LEU 4 2.560 0.613 -4.510 22 HA LEU 4 HA LEU 4 2.688 2.929 -6.082 23 HB2 LEU 4 HB2 LEU 4 1.653 0.273 -6.311 24 HB3 LEU 4 HB3 LEU 4 0.459 1.416 -6.923 25 HG LEU 4 HG LEU 4 2.783 2.269 -8.119 26 HD11 LEU 4 HD11 LEU 4 2.822 -0.729 -7.878 27 HD12 LEU 4 HD12 LEU 4 4.101 0.414 -7.469 28 HD13 LEU 4 HD13 LEU 4 3.662 0.149 -9.156 29 HD21 LEU 4 HD21 LEU 4 1.788 1.519 -10.133 30 HD22 LEU 4 HD22 LEU 4 0.462 1.936 -9.047 31 HD23 LEU 4 HD23 LEU 4 0.896 0.245 -9.302 32 H THR 5 H THR 5 -0.058 1.548 -4.284 33 HA THR 5 HA THR 5 -2.004 3.391 -4.886 34 HB THR 5 HB THR 5 -2.705 1.554 -3.606 35 HG1 THR 5 HG1 THR 5 -3.340 2.695 -1.501 36 HG21 THR 5 HG21 THR 5 -0.592 2.356 -1.607 37 HG22 THR 5 HG22 THR 5 -0.656 0.882 -2.573 38 HG23 THR 5 HG23 THR 5 -1.833 1.145 -1.286 39 H GLU 6 H GLU 6 0.567 3.651 -2.475 40 HA GLU 6 HA GLU 6 -0.281 5.989 -1.205 41 HB2 GLU 6 HB2 GLU 6 1.679 4.367 -0.649 42 HB3 GLU 6 HB3 GLU 6 2.626 5.422 -1.687 43 HG2 GLU 6 HG2 GLU 6 1.530 7.277 -0.127 44 HG3 GLU 6 HG3 GLU 6 1.488 5.919 0.996 45 H GLU 7 H GLU 7 2.182 5.697 -3.774 46 HA GLU 7 HA GLU 7 2.496 8.429 -4.233 47 HB2 GLU 7 HB2 GLU 7 3.147 5.942 -5.677 48 HB3 GLU 7 HB3 GLU 7 3.011 7.375 -6.687 49 HG2 GLU 7 HG2 GLU 7 4.585 7.783 -4.261 50 HG3 GLU 7 HG3 GLU 7 5.254 6.578 -5.360 51 H GLU 8 H GLU 8 0.506 6.097 -6.054 52 HA GLU 8 HA GLU 8 -0.644 7.859 -7.851 53 HB2 GLU 8 HB2 GLU 8 -1.336 5.209 -6.757 54 HB3 GLU 8 HB3 GLU 8 -2.689 6.116 -7.420 55 HG2 GLU 8 HG2 GLU 8 -0.960 6.458 -9.414 56 HG3 GLU 8 HG3 GLU 8 -0.346 4.932 -8.779 57 H LYS 9 H LYS 9 -1.706 7.015 -4.579 58 HA LYS 9 HA LYS 9 -4.089 8.519 -4.599 59 HB2 LYS 9 HB2 LYS 9 -3.831 6.862 -2.913 60 HB3 LYS 9 HB3 LYS 9 -2.309 7.552 -2.366 61 HG2 LYS 9 HG2 LYS 9 -4.532 9.424 -2.200 62 HG3 LYS 9 HG3 LYS 9 -4.769 7.968 -1.230 63 HD2 LYS 9 HD2 LYS 9 -2.720 8.334 -0.055 64 HD3 LYS 9 HD3 LYS 9 -2.263 9.643 -1.148 65 HE2 LYS 9 HE2 LYS 9 -3.223 11.067 0.261 66 HE3 LYS 9 HE3 LYS 9 -4.779 10.342 -0.142 67 HZ1 LYS 9 HZ1 LYS 9 -3.012 9.230 1.957 68 HZ2 LYS 9 HZ2 LYS 9 -4.651 8.908 1.694 69 HZ3 LYS 9 HZ3 LYS 9 -4.171 10.417 2.288 70 H ASN 10 H ASN 10 -0.765 9.401 -4.137 71 HA ASN 10 HA ASN 10 -1.303 11.937 -2.908 72 HB2 ASN 10 HB2 ASN 10 1.218 10.973 -4.277 73 HB3 ASN 10 HB3 ASN 10 1.083 12.360 -3.199 74 HD21 ASN 10 HD21 ASN 10 2.697 9.900 -3.028 75 HD22 ASN 10 HD22 ASN 10 2.306 9.199 -1.498 76 H ARG 11 H ARG 11 -0.380 10.863 -6.165 77 HA ARG 11 HA ARG 11 -0.301 13.435 -7.323 78 HB2 ARG 11 HB2 ARG 11 0.586 11.157 -8.217 79 HB3 ARG 11 HB3 ARG 11 -1.033 10.975 -8.879 80 HG2 ARG 11 HG2 ARG 11 -0.072 13.569 -9.545 81 HG3 ARG 11 HG3 ARG 11 1.162 12.379 -9.964 82 HD2 ARG 11 HD2 ARG 11 -0.840 11.072 -10.995 83 HD3 ARG 11 HD3 ARG 11 -1.641 12.643 -10.970 84 HE ARG 11 HE ARG 11 0.836 13.022 -12.154 85 HH11 ARG 11 HH11 ARG 11 -1.888 11.263 -14.503 86 HH12 ARG 11 HH12 ARG 11 -2.076 11.220 -12.781 87 HH21 ARG 11 HH21 ARG 11 -0.083 12.324 -15.434 88 HH22 ARG 11 HH22 ARG 11 1.095 13.086 -14.420 89 H LEU 12 H LEU 12 -2.898 11.569 -6.239 90 HA LEU 12 HA LEU 12 -4.840 12.616 -8.115 91 HB2 LEU 12 HB2 LEU 12 -4.790 10.616 -5.972 92 HB3 LEU 12 HB3 LEU 12 -6.296 11.524 -6.085 93 HG LEU 12 HG LEU 12 -6.667 10.763 -8.322 94 HD11 LEU 12 HD11 LEU 12 -3.820 10.258 -8.252 95 HD12 LEU 12 HD12 LEU 12 -4.901 10.442 -9.633 96 HD13 LEU 12 HD13 LEU 12 -4.718 8.867 -8.861 97 HD21 LEU 12 HD21 LEU 12 -5.804 8.556 -6.462 98 HD22 LEU 12 HD22 LEU 12 -6.683 8.283 -7.967 99 HD23 LEU 12 HD23 LEU 12 -7.425 9.221 -6.670 100 H ASN 13 H ASN 13 -4.214 12.914 -4.621 101 HA ASN 13 HA ASN 13 -6.157 14.957 -4.234 102 HB2 ASN 13 HB2 ASN 13 -3.817 14.586 -2.397 103 HB3 ASN 13 HB3 ASN 13 -5.489 14.976 -2.004 104 HD21 ASN 13 HD21 ASN 13 -6.759 12.989 -3.500 105 HD22 ASN 13 HD22 ASN 13 -6.410 11.457 -2.781 106 H PHE 14 H PHE 14 -2.650 14.954 -4.695 107 HA PHE 14 HA PHE 14 -2.178 17.672 -4.253 108 HB2 PHE 14 HB2 PHE 14 -0.296 16.231 -4.375 109 HB3 PHE 14 HB3 PHE 14 -0.763 15.632 -5.963 110 HD1 PHE 14 HD1 PHE 14 -0.125 18.970 -4.411 111 HD2 PHE 14 HD2 PHE 14 0.595 16.324 -7.665 112 HE1 PHE 14 HE1 PHE 14 1.313 20.665 -5.465 113 HE2 PHE 14 HE2 PHE 14 2.036 18.013 -8.725 114 HZ PHE 14 HZ PHE 14 2.397 20.187 -7.625 115 H LEU 15 H LEU 15 -3.273 15.956 -7.120 116 HA LEU 15 HA LEU 15 -3.062 18.209 -8.868 117 HB2 LEU 15 HB2 LEU 15 -3.165 15.656 -9.396 118 HB3 LEU 15 HB3 LEU 15 -4.908 15.914 -9.368 119 HG LEU 15 HG LEU 15 -4.715 17.522 -11.187 120 HD11 LEU 15 HD11 LEU 15 -1.804 17.106 -10.722 121 HD12 LEU 15 HD12 LEU 15 -2.695 18.592 -11.045 122 HD13 LEU 15 HD13 LEU 15 -2.370 17.457 -12.355 123 HD21 LEU 15 HD21 LEU 15 -4.131 15.983 -12.956 124 HD22 LEU 15 HD22 LEU 15 -5.002 15.123 -11.685 125 HD23 LEU 15 HD23 LEU 15 -3.250 14.963 -11.818 126 H LYS 16 H LYS 16 -5.767 16.608 -7.209 127 HA LYS 16 HA LYS 16 -7.737 18.435 -8.135 128 HB2 LYS 16 HB2 LYS 16 -7.855 16.695 -5.667 129 HB3 LYS 16 HB3 LYS 16 -9.218 17.377 -6.545 130 HG2 LYS 16 HG2 LYS 16 -7.588 15.817 -8.317 131 HG3 LYS 16 HG3 LYS 16 -8.036 14.868 -6.897 132 HD2 LYS 16 HD2 LYS 16 -9.747 14.536 -8.510 133 HD3 LYS 16 HD3 LYS 16 -10.410 15.620 -7.284 134 HE2 LYS 16 HE2 LYS 16 -10.847 17.135 -8.846 135 HE3 LYS 16 HE3 LYS 16 -9.138 17.199 -9.277 136 HZ1 LYS 16 HZ1 LYS 16 -10.705 14.961 -10.311 137 HZ2 LYS 16 HZ2 LYS 16 -9.431 15.812 -11.028 138 HZ3 LYS 16 HZ3 LYS 16 -10.983 16.483 -10.997 139 H LYS 17 H LYS 17 -5.304 18.688 -5.800 140 HA LYS 17 HA LYS 17 -6.709 20.632 -4.157 141 HB2 LYS 17 HB2 LYS 17 -5.143 18.995 -3.141 142 HB3 LYS 17 HB3 LYS 17 -3.824 19.733 -4.040 143 HG2 LYS 17 HG2 LYS 17 -4.120 21.811 -2.847 144 HG3 LYS 17 HG3 LYS 17 -5.529 21.158 -2.007 145 HD2 LYS 17 HD2 LYS 17 -3.496 19.305 -1.552 146 HD3 LYS 17 HD3 LYS 17 -2.720 20.882 -1.385 147 HE2 LYS 17 HE2 LYS 17 -4.419 21.561 0.223 148 HE3 LYS 17 HE3 LYS 17 -5.241 20.014 0.028 149 HZ1 LYS 17 HZ1 LYS 17 -2.617 20.548 1.281 150 HZ2 LYS 17 HZ2 LYS 17 -3.057 18.996 0.774 151 HZ3 LYS 17 HZ3 LYS 17 -3.971 19.790 1.956 152 H ILE 18 H ILE 18 -4.124 20.528 -6.554 153 HA ILE 18 HA ILE 18 -3.691 23.392 -6.374 154 HB ILE 18 HB ILE 18 -1.967 23.089 -8.039 155 HG12 ILE 18 HG12 ILE 18 -2.997 20.251 -8.230 156 HG13 ILE 18 HG13 ILE 18 -3.062 21.477 -9.491 157 HG21 ILE 18 HG21 ILE 18 -0.585 22.372 -6.456 158 HG22 ILE 18 HG22 ILE 18 -1.994 21.890 -5.513 159 HG23 ILE 18 HG23 ILE 18 -1.212 20.729 -6.585 160 HD11 ILE 18 HD11 ILE 18 -1.265 20.247 -10.170 161 HD12 ILE 18 HD12 ILE 18 -0.462 21.474 -9.190 162 HD13 ILE 18 HD13 ILE 18 -0.760 19.869 -8.523 163 H SER 19 H SER 19 -5.371 21.102 -8.391 164 HA SER 19 HA SER 19 -5.713 22.510 -10.737 165 HB2 SER 19 HB2 SER 19 -6.696 20.475 -10.983 166 HB3 SER 19 HB3 SER 19 -7.228 20.417 -9.303 167 HG SER 19 HG SER 19 -8.439 21.811 -11.454 168 H GLN 20 H GLN 20 -7.500 22.818 -7.703 169 HA GLN 20 HA GLN 20 -9.536 24.509 -8.491 170 HB2 GLN 20 HB2 GLN 20 -8.044 24.751 -5.879 171 HB3 GLN 20 HB3 GLN 20 -9.717 25.187 -6.196 172 HG2 GLN 20 HG2 GLN 20 -8.507 22.456 -5.975 173 HG3 GLN 20 HG3 GLN 20 -9.815 23.165 -5.029 174 HE21 GLN 20 HE21 GLN 20 -9.695 20.671 -6.574 175 HE22 GLN 20 HE22 GLN 20 -11.003 20.754 -7.699 176 H ARG 21 H ARG 21 -6.156 25.189 -8.065 177 HA ARG 21 HA ARG 21 -6.627 28.067 -8.357 178 HB2 ARG 21 HB2 ARG 21 -5.113 27.757 -6.617 179 HB3 ARG 21 HB3 ARG 21 -4.306 26.419 -7.424 180 HG2 ARG 21 HG2 ARG 21 -3.303 27.972 -9.015 181 HG3 ARG 21 HG3 ARG 21 -4.123 29.318 -8.220 182 HD2 ARG 21 HD2 ARG 21 -1.717 28.979 -7.568 183 HD3 ARG 21 HD3 ARG 21 -2.866 29.024 -6.231 184 HE ARG 21 HE ARG 21 -1.376 26.706 -7.180 185 HH11 ARG 21 HH11 ARG 21 -3.776 26.659 -3.977 186 HH12 ARG 21 HH12 ARG 21 -3.801 28.016 -5.054 187 HH21 ARG 21 HH21 ARG 21 -2.371 24.896 -4.384 188 HH22 ARG 21 HH22 ARG 21 -1.333 24.914 -5.770 189 H TYR 22 H TYR 22 -5.013 25.338 -9.901 190 HA TYR 22 HA TYR 22 -3.998 26.961 -12.064 191 HB2 TYR 22 HB2 TYR 22 -3.365 24.452 -10.991 192 HB3 TYR 22 HB3 TYR 22 -3.989 24.116 -12.602 193 HD1 TYR 22 HD1 TYR 22 -2.207 23.685 -14.009 194 HD2 TYR 22 HD2 TYR 22 -1.911 26.917 -11.256 195 HE1 TYR 22 HE1 TYR 22 -0.036 24.309 -14.982 196 HE2 TYR 22 HE2 TYR 22 0.260 27.550 -12.223 197 HH TYR 22 HH TYR 22 1.597 25.831 -15.019 198 H GLN 23 H GLN 23 -6.394 27.675 -12.328 199 HA GLN 23 HA GLN 23 -7.470 26.129 -14.567 200 HB2 GLN 23 HB2 GLN 23 -9.727 26.237 -13.750 201 HB3 GLN 23 HB3 GLN 23 -8.725 25.506 -12.502 202 HG2 GLN 23 HG2 GLN 23 -9.333 27.046 -11.040 203 HG3 GLN 23 HG3 GLN 23 -8.817 28.339 -12.122 204 HE21 GLN 23 HE21 GLN 23 -11.375 25.932 -12.509 205 HE22 GLN 23 HE22 GLN 23 -12.668 27.069 -12.645 206 H LYS 24 H LYS 24 -6.121 28.848 -13.797 207 HA LYS 24 HA LYS 24 -7.910 30.484 -15.471 208 HB2 LYS 24 HB2 LYS 24 -7.203 32.463 -14.208 209 HB3 LYS 24 HB3 LYS 24 -7.982 31.284 -13.161 210 HG2 LYS 24 HG2 LYS 24 -5.842 30.563 -12.311 211 HG3 LYS 24 HG3 LYS 24 -5.003 31.634 -13.436 212 HD2 LYS 24 HD2 LYS 24 -4.999 33.061 -11.694 213 HD3 LYS 24 HD3 LYS 24 -6.658 33.388 -12.200 214 HE2 LYS 24 HE2 LYS 24 -6.390 31.062 -10.449 215 HE3 LYS 24 HE3 LYS 24 -5.883 32.576 -9.700 216 HZ1 LYS 24 HZ1 LYS 24 -8.522 31.991 -10.924 217 HZ2 LYS 24 HZ2 LYS 24 -8.045 33.524 -10.393 218 HZ3 LYS 24 HZ3 LYS 24 -8.195 32.255 -9.285 219 H PHE 25 H PHE 25 -4.625 29.653 -14.567 220 HA PHE 25 HA PHE 25 -3.149 31.437 -16.052 221 HB2 PHE 25 HB2 PHE 25 -1.363 29.863 -15.994 222 HB3 PHE 25 HB3 PHE 25 -2.286 29.616 -14.516 223 HD1 PHE 25 HD1 PHE 25 -0.775 28.033 -17.248 224 HD2 PHE 25 HD2 PHE 25 -4.167 27.783 -14.688 225 HE1 PHE 25 HE1 PHE 25 -1.017 25.649 -17.806 226 HE2 PHE 25 HE2 PHE 25 -4.413 25.399 -15.241 227 HZ PHE 25 HZ PHE 25 -2.837 24.328 -16.802 228 H ALA 26 H ALA 26 -4.956 28.644 -17.149 229 HA ALA 26 HA ALA 26 -5.246 29.559 -19.768 230 HB1 ALA 26 HB1 ALA 26 -3.111 29.190 -20.457 231 HB2 ALA 26 HB2 ALA 26 -2.836 27.901 -19.284 232 HB3 ALA 26 HB3 ALA 26 -3.770 27.580 -20.745 233 H LEU 27 H LEU 27 -5.056 26.810 -17.598 234 HA LEU 27 HA LEU 27 -6.270 24.890 -17.422 235 HB2 LEU 27 HB2 LEU 27 -7.963 26.924 -17.285 236 HB3 LEU 27 HB3 LEU 27 -8.581 26.191 -18.764 237 HG LEU 27 HG LEU 27 -8.458 24.957 -16.018 238 HD11 LEU 27 HD11 LEU 27 -10.301 26.556 -16.521 239 HD12 LEU 27 HD12 LEU 27 -10.844 24.917 -16.161 240 HD13 LEU 27 HD13 LEU 27 -10.806 25.486 -17.830 241 HD21 LEU 27 HD21 LEU 27 -9.619 23.027 -17.165 242 HD22 LEU 27 HD22 LEU 27 -7.892 23.195 -17.486 243 HD23 LEU 27 HD23 LEU 27 -9.070 23.720 -18.691 244 HA PRO 28 HA PRO 28 -5.683 23.923 -21.956 245 HB2 PRO 28 HB2 PRO 28 -3.752 22.053 -21.570 246 HB3 PRO 28 HB3 PRO 28 -3.399 23.775 -21.756 247 HG2 PRO 28 HG2 PRO 28 -3.591 22.140 -19.256 248 HG3 PRO 28 HG3 PRO 28 -2.398 23.376 -19.695 249 HD2 PRO 28 HD2 PRO 28 -4.478 23.884 -18.038 250 HD3 PRO 28 HD3 PRO 28 -3.801 25.113 -19.125 251 H GLN 29 H GLN 29 -7.894 23.071 -21.407 252 HA GLN 29 HA GLN 29 -7.789 20.138 -21.211 253 HB2 GLN 29 HB2 GLN 29 -9.649 20.047 -19.784 254 HB3 GLN 29 HB3 GLN 29 -8.658 21.339 -19.120 255 HG2 GLN 29 HG2 GLN 29 -10.082 22.989 -20.252 256 HG3 GLN 29 HG3 GLN 29 -11.095 21.677 -20.853 257 HE21 GLN 29 HE21 GLN 29 -11.636 23.971 -19.037 258 HE22 GLN 29 HE22 GLN 29 -12.324 23.265 -17.618 259 H TYR 30 H TYR 30 -8.094 22.306 -23.382 260 HA TYR 30 HA TYR 30 -10.240 20.919 -24.801 261 HB2 TYR 30 HB2 TYR 30 -11.015 23.190 -25.677 262 HB3 TYR 30 HB3 TYR 30 -11.457 22.788 -24.022 263 HD1 TYR 30 HD1 TYR 30 -9.567 25.028 -26.164 264 HD2 TYR 30 HD2 TYR 30 -10.281 23.874 -22.131 265 HE1 TYR 30 HE1 TYR 30 -8.532 27.120 -25.388 266 HE2 TYR 30 HE2 TYR 30 -9.248 25.963 -21.345 267 HH TYR 30 HH TYR 30 -7.325 27.854 -23.145 268 H LEU 31 H LEU 31 -7.661 23.350 -24.985 269 HA LEU 31 HA LEU 31 -7.347 23.226 -27.794 270 HB2 LEU 31 HB2 LEU 31 -6.553 25.093 -26.408 271 HB3 LEU 31 HB3 LEU 31 -5.347 24.029 -25.685 272 HG LEU 31 HG LEU 31 -5.051 23.998 -28.532 273 HD11 LEU 31 HD11 LEU 31 -4.707 26.750 -27.395 274 HD12 LEU 31 HD12 LEU 31 -6.201 26.262 -28.194 275 HD13 LEU 31 HD13 LEU 31 -4.677 26.234 -29.081 276 HD21 LEU 31 HD21 LEU 31 -3.213 23.411 -27.234 277 HD22 LEU 31 HD22 LEU 31 -3.407 24.793 -26.156 278 HD23 LEU 31 HD23 LEU 31 -2.809 25.032 -27.799 279 H LYS 32 H LYS 32 -5.514 21.725 -25.139 280 HA LYS 32 HA LYS 32 -4.185 19.981 -27.085 281 HB2 LYS 32 HB2 LYS 32 -3.520 20.995 -24.386 282 HB3 LYS 32 HB3 LYS 32 -3.028 19.340 -24.723 283 HG2 LYS 32 HG2 LYS 32 -2.364 21.593 -26.587 284 HG3 LYS 32 HG3 LYS 32 -1.350 21.196 -25.197 285 HD2 LYS 32 HD2 LYS 32 -2.151 19.054 -27.125 286 HD3 LYS 32 HD3 LYS 32 -0.826 20.150 -27.524 287 HE2 LYS 32 HE2 LYS 32 -1.007 18.475 -25.021 288 HE3 LYS 32 HE3 LYS 32 -0.058 18.064 -26.449 289 HZ1 LYS 32 HZ1 LYS 32 1.083 20.273 -26.095 290 HZ2 LYS 32 HZ2 LYS 32 1.430 19.065 -24.965 291 HZ3 LYS 32 HZ3 LYS 32 0.357 20.310 -24.568 Start of MODEL 15 1 H1 THR 2 H THR 2 3.869 -0.904 -0.204 2 HA THR 2 HA THR 2 2.808 -1.054 -2.841 3 HB THR 2 HB THR 2 1.135 0.944 -1.667 4 HG1 THR 2 HG1 THR 2 0.851 -0.071 0.210 5 HG21 THR 2 HG21 THR 2 0.771 -0.220 -3.811 6 HG22 THR 2 HG22 THR 2 -0.635 -0.324 -2.751 7 HG23 THR 2 HG23 THR 2 0.441 -1.710 -2.929 8 H LYS 3 H LYS 3 2.637 1.192 -3.828 9 HA LYS 3 HA LYS 3 3.749 3.456 -2.633 10 HB2 LYS 3 HB2 LYS 3 5.715 1.588 -3.002 11 HB3 LYS 3 HB3 LYS 3 5.833 2.524 -4.486 12 HG2 LYS 3 HG2 LYS 3 6.113 4.566 -3.193 13 HG3 LYS 3 HG3 LYS 3 5.957 3.648 -1.694 14 HD2 LYS 3 HD2 LYS 3 8.231 3.708 -1.845 15 HD3 LYS 3 HD3 LYS 3 7.929 2.250 -2.794 16 HE2 LYS 3 HE2 LYS 3 7.723 4.089 -4.732 17 HE3 LYS 3 HE3 LYS 3 8.834 4.933 -3.655 18 HZ1 LYS 3 HZ1 LYS 3 9.956 3.553 -5.341 19 HZ2 LYS 3 HZ2 LYS 3 9.254 2.173 -4.662 20 HZ3 LYS 3 HZ3 LYS 3 10.345 3.097 -3.758 21 H LEU 4 H LEU 4 3.308 1.567 -5.555 22 HA LEU 4 HA LEU 4 3.351 3.867 -7.291 23 HB2 LEU 4 HB2 LEU 4 3.182 0.969 -7.571 24 HB3 LEU 4 HB3 LEU 4 2.152 1.837 -8.708 25 HG LEU 4 HG LEU 4 4.242 3.159 -9.337 26 HD11 LEU 4 HD11 LEU 4 5.320 1.366 -7.327 27 HD12 LEU 4 HD12 LEU 4 6.022 2.814 -8.047 28 HD13 LEU 4 HD13 LEU 4 6.185 1.258 -8.860 29 HD21 LEU 4 HD21 LEU 4 3.684 0.299 -9.963 30 HD22 LEU 4 HD22 LEU 4 5.136 1.053 -10.621 31 HD23 LEU 4 HD23 LEU 4 3.547 1.726 -10.989 32 H THR 5 H THR 5 0.991 2.094 -5.483 33 HA THR 5 HA THR 5 -1.299 2.986 -6.945 34 HB THR 5 HB THR 5 -1.566 2.225 -4.080 35 HG1 THR 5 HG1 THR 5 -0.927 0.327 -6.108 36 HG21 THR 5 HG21 THR 5 -3.052 1.823 -6.641 37 HG22 THR 5 HG22 THR 5 -3.632 2.431 -5.090 38 HG23 THR 5 HG23 THR 5 -3.319 0.709 -5.302 39 H GLU 6 H GLU 6 0.024 3.871 -3.750 40 HA GLU 6 HA GLU 6 -1.728 5.906 -3.115 41 HB2 GLU 6 HB2 GLU 6 0.169 6.861 -1.766 42 HB3 GLU 6 HB3 GLU 6 -0.170 5.161 -1.472 43 HG2 GLU 6 HG2 GLU 6 1.687 4.609 -3.057 44 HG3 GLU 6 HG3 GLU 6 2.087 6.326 -3.078 45 H GLU 7 H GLU 7 1.314 6.144 -4.939 46 HA GLU 7 HA GLU 7 1.346 8.889 -5.347 47 HB2 GLU 7 HB2 GLU 7 2.410 6.572 -6.928 48 HB3 GLU 7 HB3 GLU 7 2.552 8.209 -7.554 49 HG2 GLU 7 HG2 GLU 7 3.717 8.848 -5.457 50 HG3 GLU 7 HG3 GLU 7 3.683 7.152 -4.975 51 H GLU 8 H GLU 8 0.095 6.411 -7.590 52 HA GLU 8 HA GLU 8 -0.957 8.090 -9.510 53 HB2 GLU 8 HB2 GLU 8 -1.425 5.314 -8.655 54 HB3 GLU 8 HB3 GLU 8 -2.779 6.054 -9.499 55 HG2 GLU 8 HG2 GLU 8 0.018 6.074 -10.587 56 HG3 GLU 8 HG3 GLU 8 -1.131 4.778 -10.915 57 H LYS 9 H LYS 9 -2.329 7.123 -6.423 58 HA LYS 9 HA LYS 9 -4.902 8.272 -6.901 59 HB2 LYS 9 HB2 LYS 9 -4.757 6.508 -5.295 60 HB3 LYS 9 HB3 LYS 9 -3.503 7.348 -4.393 61 HG2 LYS 9 HG2 LYS 9 -5.896 8.949 -4.603 62 HG3 LYS 9 HG3 LYS 9 -6.229 7.371 -3.886 63 HD2 LYS 9 HD2 LYS 9 -4.853 7.756 -2.076 64 HD3 LYS 9 HD3 LYS 9 -3.867 8.935 -2.944 65 HE2 LYS 9 HE2 LYS 9 -5.414 10.637 -2.644 66 HE3 LYS 9 HE3 LYS 9 -6.743 9.515 -2.357 67 HZ1 LYS 9 HZ1 LYS 9 -6.370 10.098 -0.231 68 HZ2 LYS 9 HZ2 LYS 9 -4.766 10.560 -0.504 69 HZ3 LYS 9 HZ3 LYS 9 -5.154 8.925 -0.311 70 H ASN 10 H ASN 10 -1.876 9.408 -5.577 71 HA ASN 10 HA ASN 10 -2.903 11.764 -4.360 72 HB2 ASN 10 HB2 ASN 10 -0.098 11.184 -5.338 73 HB3 ASN 10 HB3 ASN 10 -0.560 12.478 -4.236 74 HD21 ASN 10 HD21 ASN 10 1.270 10.195 -3.904 75 HD22 ASN 10 HD22 ASN 10 0.715 9.360 -2.497 76 H ARG 11 H ARG 11 -1.554 11.029 -7.538 77 HA ARG 11 HA ARG 11 -1.244 13.565 -8.575 78 HB2 ARG 11 HB2 ARG 11 -0.734 11.284 -9.646 79 HB3 ARG 11 HB3 ARG 11 -2.404 11.311 -10.197 80 HG2 ARG 11 HG2 ARG 11 -1.664 13.709 -11.072 81 HG3 ARG 11 HG3 ARG 11 -0.085 12.920 -11.080 82 HD2 ARG 11 HD2 ARG 11 -2.263 11.320 -12.222 83 HD3 ARG 11 HD3 ARG 11 -1.902 12.803 -13.105 84 HE ARG 11 HE ARG 11 0.505 11.481 -12.557 85 HH11 ARG 11 HH11 ARG 11 -1.575 10.170 -15.716 86 HH12 ARG 11 HH12 ARG 11 -2.370 11.088 -14.480 87 HH21 ARG 11 HH21 ARG 11 0.662 9.706 -15.542 88 HH22 ARG 11 HH22 ARG 11 1.563 10.273 -14.178 89 H LEU 12 H LEU 12 -4.181 11.761 -8.016 90 HA LEU 12 HA LEU 12 -5.863 13.492 -9.562 91 HB2 LEU 12 HB2 LEU 12 -6.905 11.786 -7.349 92 HB3 LEU 12 HB3 LEU 12 -7.622 12.148 -8.918 93 HG LEU 12 HG LEU 12 -5.367 10.228 -8.351 94 HD11 LEU 12 HD11 LEU 12 -6.897 8.528 -9.035 95 HD12 LEU 12 HD12 LEU 12 -8.109 9.725 -9.490 96 HD13 LEU 12 HD13 LEU 12 -7.686 9.501 -7.793 97 HD21 LEU 12 HD21 LEU 12 -5.932 9.744 -10.896 98 HD22 LEU 12 HD22 LEU 12 -4.720 10.933 -10.417 99 HD23 LEU 12 HD23 LEU 12 -6.342 11.460 -10.870 100 H ASN 13 H ASN 13 -4.849 13.288 -6.211 101 HA ASN 13 HA ASN 13 -6.724 15.245 -5.270 102 HB2 ASN 13 HB2 ASN 13 -4.301 13.926 -4.058 103 HB3 ASN 13 HB3 ASN 13 -5.168 15.212 -3.224 104 HD21 ASN 13 HD21 ASN 13 -6.133 12.377 -5.131 105 HD22 ASN 13 HD22 ASN 13 -7.211 11.735 -3.943 106 H PHE 14 H PHE 14 -3.275 15.239 -6.087 107 HA PHE 14 HA PHE 14 -2.725 17.893 -5.367 108 HB2 PHE 14 HB2 PHE 14 -0.894 16.408 -5.762 109 HB3 PHE 14 HB3 PHE 14 -1.446 16.062 -7.397 110 HD1 PHE 14 HD1 PHE 14 -0.669 17.313 -9.200 111 HD2 PHE 14 HD2 PHE 14 -0.130 18.778 -5.240 112 HE1 PHE 14 HE1 PHE 14 0.767 19.114 -10.065 113 HE2 PHE 14 HE2 PHE 14 1.305 20.582 -6.099 114 HZ PHE 14 HZ PHE 14 1.755 20.752 -8.514 115 H LEU 15 H LEU 15 -3.838 16.489 -8.417 116 HA LEU 15 HA LEU 15 -3.719 18.851 -9.947 117 HB2 LEU 15 HB2 LEU 15 -4.690 16.161 -10.255 118 HB3 LEU 15 HB3 LEU 15 -5.845 17.309 -10.930 119 HG LEU 15 HG LEU 15 -2.951 16.981 -11.715 120 HD11 LEU 15 HD11 LEU 15 -5.036 16.771 -13.741 121 HD12 LEU 15 HD12 LEU 15 -5.137 15.526 -12.496 122 HD13 LEU 15 HD13 LEU 15 -3.650 15.727 -13.424 123 HD21 LEU 15 HD21 LEU 15 -3.273 19.255 -11.980 124 HD22 LEU 15 HD22 LEU 15 -4.983 19.074 -12.371 125 HD23 LEU 15 HD23 LEU 15 -3.755 18.625 -13.555 126 H LYS 16 H LYS 16 -6.426 17.329 -8.211 127 HA LYS 16 HA LYS 16 -8.276 19.406 -8.812 128 HB2 LYS 16 HB2 LYS 16 -8.381 17.384 -6.567 129 HB3 LYS 16 HB3 LYS 16 -9.732 18.321 -7.190 130 HG2 LYS 16 HG2 LYS 16 -8.359 16.773 -9.242 131 HG3 LYS 16 HG3 LYS 16 -9.055 15.784 -7.956 132 HD2 LYS 16 HD2 LYS 16 -10.865 15.938 -9.342 133 HD3 LYS 16 HD3 LYS 16 -11.133 17.374 -8.351 134 HE2 LYS 16 HE2 LYS 16 -11.435 17.957 -10.663 135 HE3 LYS 16 HE3 LYS 16 -9.958 18.718 -10.073 136 HZ1 LYS 16 HZ1 LYS 16 -9.554 16.110 -11.230 137 HZ2 LYS 16 HZ2 LYS 16 -8.707 17.551 -11.487 138 HZ3 LYS 16 HZ3 LYS 16 -10.145 17.255 -12.326 139 H LYS 17 H LYS 17 -5.766 19.070 -6.511 140 HA LYS 17 HA LYS 17 -6.860 20.980 -4.633 141 HB2 LYS 17 HB2 LYS 17 -4.355 19.361 -4.816 142 HB3 LYS 17 HB3 LYS 17 -4.370 20.777 -3.773 143 HG2 LYS 17 HG2 LYS 17 -6.728 19.278 -3.265 144 HG3 LYS 17 HG3 LYS 17 -5.347 18.178 -3.236 145 HD2 LYS 17 HD2 LYS 17 -5.406 18.919 -1.049 146 HD3 LYS 17 HD3 LYS 17 -4.249 20.037 -1.776 147 HE2 LYS 17 HE2 LYS 17 -5.529 21.652 -0.907 148 HE3 LYS 17 HE3 LYS 17 -6.643 21.290 -2.224 149 HZ1 LYS 17 HZ1 LYS 17 -7.319 19.453 -0.376 150 HZ2 LYS 17 HZ2 LYS 17 -8.100 20.938 -0.586 151 HZ3 LYS 17 HZ3 LYS 17 -6.905 20.773 0.600 152 H ILE 18 H ILE 18 -4.541 20.929 -7.264 153 HA ILE 18 HA ILE 18 -3.758 23.689 -6.766 154 HB ILE 18 HB ILE 18 -2.151 23.426 -8.520 155 HG12 ILE 18 HG12 ILE 18 -3.495 20.780 -9.112 156 HG13 ILE 18 HG13 ILE 18 -3.554 22.218 -10.125 157 HG21 ILE 18 HG21 ILE 18 -0.839 22.327 -7.109 158 HG22 ILE 18 HG22 ILE 18 -2.267 21.746 -6.254 159 HG23 ILE 18 HG23 ILE 18 -1.584 20.798 -7.575 160 HD11 ILE 18 HD11 ILE 18 -1.725 21.554 -11.164 161 HD12 ILE 18 HD12 ILE 18 -0.833 21.595 -9.643 162 HD13 ILE 18 HD13 ILE 18 -1.661 20.120 -10.140 163 H SER 19 H SER 19 -5.835 21.841 -8.848 164 HA SER 19 HA SER 19 -6.158 23.721 -10.925 165 HB2 SER 19 HB2 SER 19 -8.155 22.453 -11.522 166 HB3 SER 19 HB3 SER 19 -6.851 21.346 -11.093 167 HG SER 19 HG SER 19 -9.068 21.012 -10.157 168 H GLN 20 H GLN 20 -7.410 23.558 -7.714 169 HA GLN 20 HA GLN 20 -9.718 25.148 -8.040 170 HB2 GLN 20 HB2 GLN 20 -8.372 23.869 -5.908 171 HB3 GLN 20 HB3 GLN 20 -8.535 25.561 -5.458 172 HG2 GLN 20 HG2 GLN 20 -10.397 24.083 -4.707 173 HG3 GLN 20 HG3 GLN 20 -10.894 25.479 -5.663 174 HE21 GLN 20 HE21 GLN 20 -9.690 22.227 -6.429 175 HE22 GLN 20 HE22 GLN 20 -10.977 21.820 -7.507 176 H ARG 21 H ARG 21 -6.343 25.913 -7.788 177 HA ARG 21 HA ARG 21 -6.984 28.778 -7.602 178 HB2 ARG 21 HB2 ARG 21 -4.799 29.151 -6.749 179 HB3 ARG 21 HB3 ARG 21 -5.434 27.754 -5.889 180 HG2 ARG 21 HG2 ARG 21 -4.133 26.263 -7.276 181 HG3 ARG 21 HG3 ARG 21 -3.558 27.624 -8.240 182 HD2 ARG 21 HD2 ARG 21 -1.847 27.819 -6.836 183 HD3 ARG 21 HD3 ARG 21 -2.993 28.285 -5.580 184 HE ARG 21 HE ARG 21 -2.945 25.493 -5.738 185 HH11 ARG 21 HH11 ARG 21 0.022 27.204 -3.665 186 HH12 ARG 21 HH12 ARG 21 -0.870 28.134 -4.823 187 HH21 ARG 21 HH21 ARG 21 -0.495 24.999 -3.322 188 HH22 ARG 21 HH22 ARG 21 -1.778 24.258 -4.217 189 H TYR 22 H TYR 22 -5.330 26.340 -9.498 190 HA TYR 22 HA TYR 22 -4.351 28.314 -11.398 191 HB2 TYR 22 HB2 TYR 22 -3.519 25.740 -10.609 192 HB3 TYR 22 HB3 TYR 22 -4.028 25.594 -12.288 193 HD1 TYR 22 HD1 TYR 22 -2.276 28.303 -10.396 194 HD2 TYR 22 HD2 TYR 22 -2.173 25.575 -13.659 195 HE1 TYR 22 HE1 TYR 22 -0.132 29.264 -11.123 196 HE2 TYR 22 HE2 TYR 22 -0.028 26.527 -14.395 197 HH TYR 22 HH TYR 22 1.584 27.988 -13.960 198 H GLN 23 H GLN 23 -6.543 29.021 -11.956 199 HA GLN 23 HA GLN 23 -7.571 27.447 -14.190 200 HB2 GLN 23 HB2 GLN 23 -8.927 27.756 -11.662 201 HB3 GLN 23 HB3 GLN 23 -9.864 28.498 -12.951 202 HG2 GLN 23 HG2 GLN 23 -9.190 26.149 -14.107 203 HG3 GLN 23 HG3 GLN 23 -9.291 25.672 -12.412 204 HE21 GLN 23 HE21 GLN 23 -11.001 26.123 -15.222 205 HE22 GLN 23 HE22 GLN 23 -12.599 26.159 -14.567 206 H LYS 24 H LYS 24 -6.242 30.170 -13.355 207 HA LYS 24 HA LYS 24 -7.891 31.785 -15.182 208 HB2 LYS 24 HB2 LYS 24 -7.605 33.728 -13.864 209 HB3 LYS 24 HB3 LYS 24 -8.070 32.459 -12.739 210 HG2 LYS 24 HG2 LYS 24 -5.738 32.180 -12.079 211 HG3 LYS 24 HG3 LYS 24 -5.263 33.444 -13.216 212 HD2 LYS 24 HD2 LYS 24 -7.362 34.439 -11.561 213 HD3 LYS 24 HD3 LYS 24 -6.118 33.726 -10.532 214 HE2 LYS 24 HE2 LYS 24 -4.498 35.066 -12.100 215 HE3 LYS 24 HE3 LYS 24 -5.939 36.032 -12.417 216 HZ1 LYS 24 HZ1 LYS 24 -5.979 36.836 -10.308 217 HZ2 LYS 24 HZ2 LYS 24 -4.311 36.591 -10.449 218 HZ3 LYS 24 HZ3 LYS 24 -5.265 35.460 -9.629 219 H PHE 25 H PHE 25 -4.760 30.771 -14.116 220 HA PHE 25 HA PHE 25 -3.047 32.597 -15.233 221 HB2 PHE 25 HB2 PHE 25 -1.411 30.826 -15.390 222 HB3 PHE 25 HB3 PHE 25 -2.371 30.578 -13.936 223 HD1 PHE 25 HD1 PHE 25 -4.288 28.901 -14.056 224 HD2 PHE 25 HD2 PHE 25 -1.197 29.138 -16.973 225 HE1 PHE 25 HE1 PHE 25 -4.810 26.611 -14.789 226 HE2 PHE 25 HE2 PHE 25 -1.715 26.849 -17.711 227 HZ PHE 25 HZ PHE 25 -3.524 25.583 -16.620 228 H ALA 26 H ALA 26 -4.766 29.974 -16.865 229 HA ALA 26 HA ALA 26 -5.065 31.260 -19.293 230 HB1 ALA 26 HB1 ALA 26 -2.934 31.303 -20.024 231 HB2 ALA 26 HB2 ALA 26 -2.431 29.984 -18.967 232 HB3 ALA 26 HB3 ALA 26 -3.272 29.632 -20.477 233 H LEU 27 H LEU 27 -4.536 28.215 -17.637 234 HA LEU 27 HA LEU 27 -5.422 26.128 -17.916 235 HB2 LEU 27 HB2 LEU 27 -7.336 27.358 -17.041 236 HB3 LEU 27 HB3 LEU 27 -7.805 27.812 -18.678 237 HG LEU 27 HG LEU 27 -8.623 25.708 -19.168 238 HD11 LEU 27 HD11 LEU 27 -6.661 24.772 -17.137 239 HD12 LEU 27 HD12 LEU 27 -6.958 24.191 -18.775 240 HD13 LEU 27 HD13 LEU 27 -8.076 23.775 -17.476 241 HD21 LEU 27 HD21 LEU 27 -9.741 24.916 -16.923 242 HD22 LEU 27 HD22 LEU 27 -10.227 26.423 -17.699 243 HD23 LEU 27 HD23 LEU 27 -9.116 26.455 -16.329 244 HA PRO 28 HA PRO 28 -4.897 26.288 -22.566 245 HB2 PRO 28 HB2 PRO 28 -2.664 24.746 -22.633 246 HB3 PRO 28 HB3 PRO 28 -2.613 26.502 -22.441 247 HG2 PRO 28 HG2 PRO 28 -2.395 24.362 -20.359 248 HG3 PRO 28 HG3 PRO 28 -1.450 25.852 -20.535 249 HD2 PRO 28 HD2 PRO 28 -3.493 25.622 -18.773 250 HD3 PRO 28 HD3 PRO 28 -3.090 27.155 -19.573 251 H GLN 29 H GLN 29 -5.591 24.090 -20.150 252 HA GLN 29 HA GLN 29 -6.692 22.095 -20.160 253 HB2 GLN 29 HB2 GLN 29 -7.424 23.233 -22.553 254 HB3 GLN 29 HB3 GLN 29 -6.753 21.688 -23.061 255 HG2 GLN 29 HG2 GLN 29 -9.187 21.625 -22.684 256 HG3 GLN 29 HG3 GLN 29 -8.294 20.493 -21.671 257 HE21 GLN 29 HE21 GLN 29 -8.755 23.972 -21.286 258 HE22 GLN 29 HE22 GLN 29 -9.563 23.877 -19.762 259 H TYR 30 H TYR 30 -3.897 22.167 -20.004 260 HA TYR 30 HA TYR 30 -2.586 20.391 -21.741 261 HB2 TYR 30 HB2 TYR 30 -1.032 20.107 -19.667 262 HB3 TYR 30 HB3 TYR 30 -1.136 21.676 -20.458 263 HD1 TYR 30 HD1 TYR 30 -3.004 19.821 -17.794 264 HD2 TYR 30 HD2 TYR 30 -1.228 23.482 -19.038 265 HE1 TYR 30 HE1 TYR 30 -3.641 20.851 -15.653 266 HE2 TYR 30 HE2 TYR 30 -1.858 24.521 -16.900 267 HH TYR 30 HH TYR 30 -3.104 22.669 -14.252 268 H LEU 31 H LEU 31 -4.916 19.824 -19.340 269 HA LEU 31 HA LEU 31 -4.085 17.099 -18.788 270 HB2 LEU 31 HB2 LEU 31 -5.675 17.065 -17.135 271 HB3 LEU 31 HB3 LEU 31 -5.260 18.777 -17.188 272 HG LEU 31 HG LEU 31 -7.685 17.540 -18.490 273 HD11 LEU 31 HD11 LEU 31 -8.705 17.666 -16.529 274 HD12 LEU 31 HD12 LEU 31 -8.317 19.383 -16.424 275 HD13 LEU 31 HD13 LEU 31 -7.198 18.185 -15.774 276 HD21 LEU 31 HD21 LEU 31 -6.549 20.295 -18.387 277 HD22 LEU 31 HD22 LEU 31 -8.300 20.085 -18.413 278 HD23 LEU 31 HD23 LEU 31 -7.315 19.440 -19.726 279 H LYS 32 H LYS 32 -5.510 15.273 -19.162 280 HA LYS 32 HA LYS 32 -7.001 15.571 -21.681 281 HB2 LYS 32 HB2 LYS 32 -5.365 13.368 -20.506 282 HB3 LYS 32 HB3 LYS 32 -6.703 12.939 -21.564 283 HG2 LYS 32 HG2 LYS 32 -5.722 14.452 -23.291 284 HG3 LYS 32 HG3 LYS 32 -4.318 14.644 -22.237 285 HD2 LYS 32 HD2 LYS 32 -5.093 11.858 -22.693 286 HD3 LYS 32 HD3 LYS 32 -4.603 12.715 -24.156 287 HE2 LYS 32 HE2 LYS 32 -2.675 11.662 -23.169 288 HE3 LYS 32 HE3 LYS 32 -2.528 13.411 -23.004 289 HZ1 LYS 32 HZ1 LYS 32 -1.956 12.045 -20.985 290 HZ2 LYS 32 HZ2 LYS 32 -3.605 11.698 -20.842 291 HZ3 LYS 32 HZ3 LYS 32 -3.065 13.298 -20.734 Start of MODEL 16 1 H1 THR 2 H THR 2 1.768 -0.101 0.884 2 HA THR 2 HA THR 2 3.034 -0.497 -0.981 3 HB THR 2 HB THR 2 1.463 1.214 -2.813 4 HG1 THR 2 HG1 THR 2 -0.193 -0.474 -2.876 5 HG21 THR 2 HG21 THR 2 1.537 -1.248 -3.907 6 HG22 THR 2 HG22 THR 2 2.936 -1.346 -2.837 7 HG23 THR 2 HG23 THR 2 2.846 -0.077 -4.058 8 H LYS 3 H LYS 3 4.316 0.779 -2.690 9 HA LYS 3 HA LYS 3 4.993 3.403 -1.538 10 HB2 LYS 3 HB2 LYS 3 7.231 2.978 -2.719 11 HB3 LYS 3 HB3 LYS 3 6.881 2.036 -1.275 12 HG2 LYS 3 HG2 LYS 3 6.426 0.096 -2.521 13 HG3 LYS 3 HG3 LYS 3 6.319 0.998 -4.035 14 HD2 LYS 3 HD2 LYS 3 8.523 0.865 -4.373 15 HD3 LYS 3 HD3 LYS 3 8.882 1.362 -2.718 16 HE2 LYS 3 HE2 LYS 3 9.252 -0.741 -2.062 17 HE3 LYS 3 HE3 LYS 3 7.803 -1.335 -2.872 18 HZ1 LYS 3 HZ1 LYS 3 9.635 -0.704 -4.857 19 HZ2 LYS 3 HZ2 LYS 3 9.115 -2.243 -4.386 20 HZ3 LYS 3 HZ3 LYS 3 10.495 -1.564 -3.681 21 H LEU 4 H LEU 4 3.698 1.864 -4.244 22 HA LEU 4 HA LEU 4 4.219 4.234 -5.917 23 HB2 LEU 4 HB2 LEU 4 3.986 1.334 -6.596 24 HB3 LEU 4 HB3 LEU 4 3.560 2.551 -7.797 25 HG LEU 4 HG LEU 4 6.198 2.884 -6.520 26 HD11 LEU 4 HD11 LEU 4 5.437 0.446 -8.046 27 HD12 LEU 4 HD12 LEU 4 6.575 0.637 -6.712 28 HD13 LEU 4 HD13 LEU 4 7.020 1.167 -8.334 29 HD21 LEU 4 HD21 LEU 4 6.568 4.082 -8.360 30 HD22 LEU 4 HD22 LEU 4 4.853 3.884 -8.722 31 HD23 LEU 4 HD23 LEU 4 6.035 2.771 -9.413 32 H THR 5 H THR 5 1.870 2.236 -4.422 33 HA THR 5 HA THR 5 -0.345 3.003 -6.080 34 HB THR 5 HB THR 5 -0.568 1.919 -3.278 35 HG1 THR 5 HG1 THR 5 -0.084 0.487 -5.696 36 HG21 THR 5 HG21 THR 5 -2.696 2.457 -4.068 37 HG22 THR 5 HG22 THR 5 -2.542 0.747 -4.470 38 HG23 THR 5 HG23 THR 5 -2.311 1.971 -5.718 39 H GLU 6 H GLU 6 0.642 3.810 -2.748 40 HA GLU 6 HA GLU 6 -1.339 5.648 -2.163 41 HB2 GLU 6 HB2 GLU 6 1.466 5.252 -1.231 42 HB3 GLU 6 HB3 GLU 6 0.642 6.736 -0.773 43 HG2 GLU 6 HG2 GLU 6 -0.719 4.124 -0.339 44 HG3 GLU 6 HG3 GLU 6 0.557 4.632 0.766 45 H GLU 7 H GLU 7 1.938 6.416 -3.355 46 HA GLU 7 HA GLU 7 1.686 9.114 -3.714 47 HB2 GLU 7 HB2 GLU 7 3.248 8.719 -5.757 48 HB3 GLU 7 HB3 GLU 7 3.813 8.298 -4.146 49 HG2 GLU 7 HG2 GLU 7 3.922 6.113 -4.614 50 HG3 GLU 7 HG3 GLU 7 2.429 6.134 -5.551 51 H GLU 8 H GLU 8 0.591 6.557 -5.896 52 HA GLU 8 HA GLU 8 -0.234 8.257 -7.997 53 HB2 GLU 8 HB2 GLU 8 0.145 5.846 -8.297 54 HB3 GLU 8 HB3 GLU 8 -1.234 5.500 -7.262 55 HG2 GLU 8 HG2 GLU 8 -2.648 6.767 -8.914 56 HG3 GLU 8 HG3 GLU 8 -1.245 6.775 -9.981 57 H LYS 9 H LYS 9 -1.930 6.900 -5.206 58 HA LYS 9 HA LYS 9 -4.484 7.937 -5.909 59 HB2 LYS 9 HB2 LYS 9 -4.486 6.100 -4.427 60 HB3 LYS 9 HB3 LYS 9 -3.309 6.853 -3.359 61 HG2 LYS 9 HG2 LYS 9 -5.746 8.417 -3.634 62 HG3 LYS 9 HG3 LYS 9 -6.028 6.798 -2.989 63 HD2 LYS 9 HD2 LYS 9 -4.695 7.172 -1.126 64 HD3 LYS 9 HD3 LYS 9 -3.816 8.495 -1.897 65 HE2 LYS 9 HE2 LYS 9 -5.325 10.023 -1.250 66 HE3 LYS 9 HE3 LYS 9 -6.689 8.975 -1.632 67 HZ1 LYS 9 HZ1 LYS 9 -6.879 9.065 0.615 68 HZ2 LYS 9 HZ2 LYS 9 -5.222 9.274 0.879 69 HZ3 LYS 9 HZ3 LYS 9 -5.832 7.741 0.508 70 H ASN 10 H ASN 10 -1.743 9.183 -4.139 71 HA ASN 10 HA ASN 10 -3.131 11.385 -2.957 72 HB2 ASN 10 HB2 ASN 10 -0.161 11.253 -3.455 73 HB3 ASN 10 HB3 ASN 10 -1.014 12.106 -2.171 74 HD21 ASN 10 HD21 ASN 10 1.132 10.054 -2.138 75 HD22 ASN 10 HD22 ASN 10 0.539 8.803 -1.104 76 H ARG 11 H ARG 11 -0.827 11.125 -5.664 77 HA ARG 11 HA ARG 11 -0.803 13.757 -6.481 78 HB2 ARG 11 HB2 ARG 11 0.453 11.637 -7.383 79 HB3 ARG 11 HB3 ARG 11 -0.874 11.580 -8.535 80 HG2 ARG 11 HG2 ARG 11 0.438 14.198 -8.219 81 HG3 ARG 11 HG3 ARG 11 1.412 12.921 -8.951 82 HD2 ARG 11 HD2 ARG 11 -0.423 12.513 -10.565 83 HD3 ARG 11 HD3 ARG 11 -1.295 13.879 -9.871 84 HE ARG 11 HE ARG 11 1.068 14.976 -10.547 85 HH11 ARG 11 HH11 ARG 11 -0.813 13.687 -13.838 86 HH12 ARG 11 HH12 ARG 11 -1.199 12.996 -12.296 87 HH21 ARG 11 HH21 ARG 11 0.772 15.334 -13.993 88 HH22 ARG 11 HH22 ARG 11 1.585 15.894 -12.571 89 H LEU 12 H LEU 12 -3.277 11.341 -6.939 90 HA LEU 12 HA LEU 12 -4.731 12.619 -8.991 91 HB2 LEU 12 HB2 LEU 12 -5.168 10.434 -7.085 92 HB3 LEU 12 HB3 LEU 12 -6.637 11.271 -7.584 93 HG LEU 12 HG LEU 12 -6.311 10.671 -9.856 94 HD11 LEU 12 HD11 LEU 12 -4.108 9.060 -10.070 95 HD12 LEU 12 HD12 LEU 12 -3.536 10.354 -9.018 96 HD13 LEU 12 HD13 LEU 12 -4.208 10.739 -10.602 97 HD21 LEU 12 HD21 LEU 12 -5.424 8.124 -8.633 98 HD22 LEU 12 HD22 LEU 12 -6.788 8.458 -9.700 99 HD23 LEU 12 HD23 LEU 12 -6.889 8.864 -7.986 100 H ASN 13 H ASN 13 -5.070 12.704 -5.455 101 HA ASN 13 HA ASN 13 -7.239 14.566 -5.512 102 HB2 ASN 13 HB2 ASN 13 -5.453 13.510 -3.329 103 HB3 ASN 13 HB3 ASN 13 -6.640 14.772 -3.016 104 HD21 ASN 13 HD21 ASN 13 -6.696 11.832 -4.998 105 HD22 ASN 13 HD22 ASN 13 -8.104 11.157 -4.259 106 H PHE 14 H PHE 14 -3.749 14.795 -5.105 107 HA PHE 14 HA PHE 14 -3.675 17.523 -4.358 108 HB2 PHE 14 HB2 PHE 14 -1.732 16.287 -3.872 109 HB3 PHE 14 HB3 PHE 14 -1.638 15.628 -5.502 110 HD1 PHE 14 HD1 PHE 14 -1.244 18.734 -3.527 111 HD2 PHE 14 HD2 PHE 14 -0.383 16.696 -7.164 112 HE1 PHE 14 HE1 PHE 14 0.327 20.521 -4.153 113 HE2 PHE 14 HE2 PHE 14 1.190 18.480 -7.795 114 HZ PHE 14 HZ PHE 14 1.548 20.395 -6.288 115 H LEU 15 H LEU 15 -3.506 15.870 -7.473 116 HA LEU 15 HA LEU 15 -2.909 18.151 -9.030 117 HB2 LEU 15 HB2 LEU 15 -2.709 15.710 -9.687 118 HB3 LEU 15 HB3 LEU 15 -4.449 15.742 -9.964 119 HG LEU 15 HG LEU 15 -4.176 17.370 -11.732 120 HD11 LEU 15 HD11 LEU 15 -2.429 18.761 -11.180 121 HD12 LEU 15 HD12 LEU 15 -1.701 17.771 -12.444 122 HD13 LEU 15 HD13 LEU 15 -1.359 17.427 -10.749 123 HD21 LEU 15 HD21 LEU 15 -2.970 14.741 -11.756 124 HD22 LEU 15 HD22 LEU 15 -2.216 15.814 -12.936 125 HD23 LEU 15 HD23 LEU 15 -3.959 15.541 -12.979 126 H LYS 16 H LYS 16 -5.988 16.505 -8.343 127 HA LYS 16 HA LYS 16 -7.584 18.365 -9.774 128 HB2 LYS 16 HB2 LYS 16 -9.482 17.305 -8.592 129 HB3 LYS 16 HB3 LYS 16 -8.404 16.129 -9.332 130 HG2 LYS 16 HG2 LYS 16 -8.751 15.163 -7.293 131 HG3 LYS 16 HG3 LYS 16 -7.298 16.108 -6.957 132 HD2 LYS 16 HD2 LYS 16 -8.365 17.300 -5.409 133 HD3 LYS 16 HD3 LYS 16 -9.655 17.707 -6.543 134 HE2 LYS 16 HE2 LYS 16 -11.043 16.178 -5.678 135 HE3 LYS 16 HE3 LYS 16 -9.778 14.953 -5.590 136 HZ1 LYS 16 HZ1 LYS 16 -10.682 15.613 -3.404 137 HZ2 LYS 16 HZ2 LYS 16 -10.080 17.174 -3.645 138 HZ3 LYS 16 HZ3 LYS 16 -9.014 15.865 -3.535 139 H LYS 17 H LYS 17 -6.236 18.322 -6.590 140 HA LYS 17 HA LYS 17 -8.018 20.260 -5.458 141 HB2 LYS 17 HB2 LYS 17 -6.855 18.701 -4.008 142 HB3 LYS 17 HB3 LYS 17 -5.296 19.284 -4.576 143 HG2 LYS 17 HG2 LYS 17 -5.701 20.223 -2.427 144 HG3 LYS 17 HG3 LYS 17 -5.856 21.514 -3.621 145 HD2 LYS 17 HD2 LYS 17 -8.416 20.526 -3.449 146 HD3 LYS 17 HD3 LYS 17 -7.838 20.406 -1.786 147 HE2 LYS 17 HE2 LYS 17 -7.392 22.919 -3.339 148 HE3 LYS 17 HE3 LYS 17 -8.974 22.600 -2.630 149 HZ1 LYS 17 HZ1 LYS 17 -7.362 23.910 -1.230 150 HZ2 LYS 17 HZ2 LYS 17 -6.475 22.482 -1.047 151 HZ3 LYS 17 HZ3 LYS 17 -8.066 22.567 -0.479 152 H ILE 18 H ILE 18 -4.832 20.346 -6.975 153 HA ILE 18 HA ILE 18 -4.552 23.193 -6.544 154 HB ILE 18 HB ILE 18 -2.451 23.012 -7.727 155 HG12 ILE 18 HG12 ILE 18 -3.332 20.185 -8.346 156 HG13 ILE 18 HG13 ILE 18 -3.095 21.488 -9.505 157 HG21 ILE 18 HG21 ILE 18 -1.496 22.196 -5.895 158 HG22 ILE 18 HG22 ILE 18 -3.094 21.672 -5.366 159 HG23 ILE 18 HG23 ILE 18 -2.056 20.565 -6.264 160 HD11 ILE 18 HD11 ILE 18 -0.668 21.325 -8.214 161 HD12 ILE 18 HD12 ILE 18 -1.180 19.644 -8.366 162 HD13 ILE 18 HD13 ILE 18 -1.060 20.662 -9.800 163 H SER 19 H SER 19 -5.527 21.025 -9.108 164 HA SER 19 HA SER 19 -5.310 22.633 -11.338 165 HB2 SER 19 HB2 SER 19 -6.107 20.659 -12.085 166 HB3 SER 19 HB3 SER 19 -6.923 20.313 -10.560 167 HG SER 19 HG SER 19 -8.008 21.100 -12.835 168 H GLN 20 H GLN 20 -7.873 22.578 -8.902 169 HA GLN 20 HA GLN 20 -9.718 24.262 -10.076 170 HB2 GLN 20 HB2 GLN 20 -9.099 23.365 -7.379 171 HB3 GLN 20 HB3 GLN 20 -9.752 24.998 -7.396 172 HG2 GLN 20 HG2 GLN 20 -11.387 23.057 -7.157 173 HG3 GLN 20 HG3 GLN 20 -11.768 24.316 -8.330 174 HE21 GLN 20 HE21 GLN 20 -10.386 21.096 -7.981 175 HE22 GLN 20 HE22 GLN 20 -10.797 20.549 -9.567 176 H ARG 21 H ARG 21 -6.630 25.025 -8.677 177 HA ARG 21 HA ARG 21 -7.183 27.898 -8.865 178 HB2 ARG 21 HB2 ARG 21 -6.201 27.488 -6.795 179 HB3 ARG 21 HB3 ARG 21 -5.114 26.265 -7.440 180 HG2 ARG 21 HG2 ARG 21 -3.783 27.974 -8.522 181 HG3 ARG 21 HG3 ARG 21 -4.903 29.221 -7.971 182 HD2 ARG 21 HD2 ARG 21 -3.043 29.247 -6.492 183 HD3 ARG 21 HD3 ARG 21 -4.387 28.509 -5.622 184 HE ARG 21 HE ARG 21 -2.907 26.470 -6.827 185 HH11 ARG 21 HH11 ARG 21 -1.423 27.936 -3.409 186 HH12 ARG 21 HH12 ARG 21 -2.551 28.873 -4.333 187 HH21 ARG 21 HH21 ARG 21 -0.782 25.863 -4.143 188 HH22 ARG 21 HH22 ARG 21 -1.423 25.227 -5.620 189 H TYR 22 H TYR 22 -5.145 25.357 -10.171 190 HA TYR 22 HA TYR 22 -3.668 27.234 -11.830 191 HB2 TYR 22 HB2 TYR 22 -3.126 24.689 -10.756 192 HB3 TYR 22 HB3 TYR 22 -3.203 24.468 -12.500 193 HD1 TYR 22 HD1 TYR 22 -1.940 27.305 -10.423 194 HD2 TYR 22 HD2 TYR 22 -1.034 24.292 -13.288 195 HE1 TYR 22 HE1 TYR 22 0.342 28.198 -10.632 196 HE2 TYR 22 HE2 TYR 22 1.251 25.176 -13.503 197 HH TYR 22 HH TYR 22 2.470 27.658 -11.376 198 H GLN 23 H GLN 23 -5.828 27.850 -12.813 199 HA GLN 23 HA GLN 23 -6.147 26.336 -15.288 200 HB2 GLN 23 HB2 GLN 23 -8.232 26.712 -13.208 201 HB3 GLN 23 HB3 GLN 23 -8.736 26.909 -14.882 202 HG2 GLN 23 HG2 GLN 23 -7.189 24.565 -14.786 203 HG3 GLN 23 HG3 GLN 23 -8.278 24.512 -13.400 204 HE21 GLN 23 HE21 GLN 23 -8.181 22.993 -15.963 205 HE22 GLN 23 HE22 GLN 23 -9.763 23.159 -16.637 206 H LYS 24 H LYS 24 -5.262 29.082 -14.094 207 HA LYS 24 HA LYS 24 -6.592 30.680 -16.178 208 HB2 LYS 24 HB2 LYS 24 -6.553 32.626 -14.708 209 HB3 LYS 24 HB3 LYS 24 -7.469 31.317 -13.972 210 HG2 LYS 24 HG2 LYS 24 -5.638 30.787 -12.509 211 HG3 LYS 24 HG3 LYS 24 -4.604 31.968 -13.316 212 HD2 LYS 24 HD2 LYS 24 -6.049 33.774 -12.571 213 HD3 LYS 24 HD3 LYS 24 -7.150 32.613 -11.826 214 HE2 LYS 24 HE2 LYS 24 -4.667 31.986 -10.760 215 HE3 LYS 24 HE3 LYS 24 -4.681 33.748 -10.814 216 HZ1 LYS 24 HZ1 LYS 24 -5.795 32.231 -8.871 217 HZ2 LYS 24 HZ2 LYS 24 -7.132 32.615 -9.832 218 HZ3 LYS 24 HZ3 LYS 24 -6.176 33.850 -9.182 219 H PHE 25 H PHE 25 -3.713 30.028 -14.294 220 HA PHE 25 HA PHE 25 -1.990 31.999 -15.093 221 HB2 PHE 25 HB2 PHE 25 -0.183 30.478 -14.662 222 HB3 PHE 25 HB3 PHE 25 -1.473 30.110 -13.522 223 HD1 PHE 25 HD1 PHE 25 -3.103 28.214 -14.221 224 HD2 PHE 25 HD2 PHE 25 0.770 28.778 -15.894 225 HE1 PHE 25 HE1 PHE 25 -3.079 25.864 -14.950 226 HE2 PHE 25 HE2 PHE 25 0.799 26.430 -16.627 227 HZ PHE 25 HZ PHE 25 -1.127 24.969 -16.156 228 H ALA 26 H ALA 26 -3.068 29.203 -16.931 229 HA ALA 26 HA ALA 26 -2.688 30.377 -19.427 230 HB1 ALA 26 HB1 ALA 26 -0.290 29.109 -18.314 231 HB2 ALA 26 HB2 ALA 26 -0.710 28.587 -19.946 232 HB3 ALA 26 HB3 ALA 26 -0.453 30.298 -19.606 233 H LEU 27 H LEU 27 -2.525 27.324 -17.644 234 HA LEU 27 HA LEU 27 -3.554 25.320 -17.947 235 HB2 LEU 27 HB2 LEU 27 -5.511 26.989 -18.148 236 HB3 LEU 27 HB3 LEU 27 -5.434 26.638 -19.873 237 HG LEU 27 HG LEU 27 -5.768 24.208 -19.272 238 HD11 LEU 27 HD11 LEU 27 -5.352 25.140 -16.690 239 HD12 LEU 27 HD12 LEU 27 -5.914 23.536 -17.160 240 HD13 LEU 27 HD13 LEU 27 -7.081 24.799 -16.768 241 HD21 LEU 27 HD21 LEU 27 -7.953 26.156 -18.543 242 HD22 LEU 27 HD22 LEU 27 -8.181 24.461 -18.972 243 HD23 LEU 27 HD23 LEU 27 -7.561 25.598 -20.170 244 HA PRO 28 HA PRO 28 -1.316 24.805 -21.981 245 HB2 PRO 28 HB2 PRO 28 0.404 22.922 -21.051 246 HB3 PRO 28 HB3 PRO 28 0.715 24.657 -20.917 247 HG2 PRO 28 HG2 PRO 28 -0.353 22.760 -18.862 248 HG3 PRO 28 HG3 PRO 28 0.854 24.046 -18.678 249 HD2 PRO 28 HD2 PRO 28 -1.730 24.354 -17.929 250 HD3 PRO 28 HD3 PRO 28 -0.746 25.699 -18.540 251 H GLN 29 H GLN 29 -3.616 23.879 -22.254 252 HA GLN 29 HA GLN 29 -3.420 21.260 -23.234 253 HB2 GLN 29 HB2 GLN 29 -5.021 20.146 -21.660 254 HB3 GLN 29 HB3 GLN 29 -3.440 20.489 -20.970 255 HG2 GLN 29 HG2 GLN 29 -4.533 21.395 -19.267 256 HG3 GLN 29 HG3 GLN 29 -4.893 22.739 -20.350 257 HE21 GLN 29 HE21 GLN 29 -6.943 23.268 -20.483 258 HE22 GLN 29 HE22 GLN 29 -8.290 22.222 -20.205 259 H TYR 30 H TYR 30 -5.629 23.657 -21.852 260 HA TYR 30 HA TYR 30 -7.571 24.561 -22.614 261 HB2 TYR 30 HB2 TYR 30 -6.328 23.611 -25.179 262 HB3 TYR 30 HB3 TYR 30 -7.930 24.341 -25.174 263 HD1 TYR 30 HD1 TYR 30 -8.213 26.694 -24.902 264 HD2 TYR 30 HD2 TYR 30 -4.358 24.945 -24.472 265 HE1 TYR 30 HE1 TYR 30 -7.197 28.934 -24.952 266 HE2 TYR 30 HE2 TYR 30 -3.332 27.179 -24.519 267 HH TYR 30 HH TYR 30 -4.609 29.804 -23.876 268 H LEU 31 H LEU 31 -7.589 21.986 -25.016 269 HA LEU 31 HA LEU 31 -10.101 21.011 -23.883 270 HB2 LEU 31 HB2 LEU 31 -8.835 20.149 -26.467 271 HB3 LEU 31 HB3 LEU 31 -10.519 19.989 -25.975 272 HG LEU 31 HG LEU 31 -9.292 22.697 -26.352 273 HD11 LEU 31 HD11 LEU 31 -10.514 20.992 -28.518 274 HD12 LEU 31 HD12 LEU 31 -8.815 21.446 -28.397 275 HD13 LEU 31 HD13 LEU 31 -10.041 22.684 -28.668 276 HD21 LEU 31 HD21 LEU 31 -12.088 21.963 -27.037 277 HD22 LEU 31 HD22 LEU 31 -11.441 23.461 -26.368 278 HD23 LEU 31 HD23 LEU 31 -11.646 22.047 -25.332 279 H LYS 32 H LYS 32 -10.441 18.892 -23.274 280 HA LYS 32 HA LYS 32 -8.069 17.443 -22.467 281 HB2 LYS 32 HB2 LYS 32 -10.996 16.788 -22.073 282 HB3 LYS 32 HB3 LYS 32 -9.649 15.944 -21.320 283 HG2 LYS 32 HG2 LYS 32 -9.363 17.528 -19.758 284 HG3 LYS 32 HG3 LYS 32 -9.684 18.846 -20.886 285 HD2 LYS 32 HD2 LYS 32 -11.840 18.967 -20.290 286 HD3 LYS 32 HD3 LYS 32 -12.036 17.213 -20.331 287 HE2 LYS 32 HE2 LYS 32 -11.838 17.057 -18.116 288 HE3 LYS 32 HE3 LYS 32 -10.389 18.060 -18.105 289 HZ1 LYS 32 HZ1 LYS 32 -13.160 18.798 -17.635 290 HZ2 LYS 32 HZ2 LYS 32 -12.250 19.903 -18.536 291 HZ3 LYS 32 HZ3 LYS 32 -11.739 19.451 -16.988 Start of MODEL 17 1 H1 THR 2 H THR 2 2.075 0.537 0.843 2 HA THR 2 HA THR 2 3.746 -0.757 -0.824 3 HB THR 2 HB THR 2 2.089 0.496 -2.883 4 HG1 THR 2 HG1 THR 2 0.298 -0.372 -2.078 5 HG21 THR 2 HG21 THR 2 4.161 -1.206 -2.878 6 HG22 THR 2 HG22 THR 2 2.994 -1.122 -4.198 7 HG23 THR 2 HG23 THR 2 2.836 -2.368 -2.960 8 H LYS 3 H LYS 3 4.422 0.861 -2.841 9 HA LYS 3 HA LYS 3 4.701 3.506 -1.571 10 HB2 LYS 3 HB2 LYS 3 6.657 1.685 -2.780 11 HB3 LYS 3 HB3 LYS 3 6.783 3.341 -3.358 12 HG2 LYS 3 HG2 LYS 3 7.188 4.173 -1.188 13 HG3 LYS 3 HG3 LYS 3 6.707 2.650 -0.436 14 HD2 LYS 3 HD2 LYS 3 9.050 2.855 -2.312 15 HD3 LYS 3 HD3 LYS 3 9.202 3.125 -0.574 16 HE2 LYS 3 HE2 LYS 3 9.082 0.937 -0.116 17 HE3 LYS 3 HE3 LYS 3 7.750 0.685 -1.243 18 HZ1 LYS 3 HZ1 LYS 3 10.653 0.692 -1.824 19 HZ2 LYS 3 HZ2 LYS 3 9.490 0.824 -3.045 20 HZ3 LYS 3 HZ3 LYS 3 9.540 -0.558 -2.071 21 H LEU 4 H LEU 4 3.774 1.757 -4.384 22 HA LEU 4 HA LEU 4 3.759 4.120 -6.082 23 HB2 LEU 4 HB2 LEU 4 3.649 1.247 -6.467 24 HB3 LEU 4 HB3 LEU 4 2.434 2.091 -7.425 25 HG LEU 4 HG LEU 4 5.159 3.202 -7.573 26 HD11 LEU 4 HD11 LEU 4 5.410 1.268 -9.437 27 HD12 LEU 4 HD12 LEU 4 4.589 0.377 -8.156 28 HD13 LEU 4 HD13 LEU 4 6.121 1.185 -7.825 29 HD21 LEU 4 HD21 LEU 4 3.095 2.460 -9.643 30 HD22 LEU 4 HD22 LEU 4 4.566 3.391 -9.927 31 HD23 LEU 4 HD23 LEU 4 3.288 4.050 -8.904 32 H THR 5 H THR 5 1.492 1.963 -4.460 33 HA THR 5 HA THR 5 -0.895 2.885 -5.552 34 HB THR 5 HB THR 5 -1.017 2.295 -2.670 35 HG1 THR 5 HG1 THR 5 0.062 0.414 -4.522 36 HG21 THR 5 HG21 THR 5 -2.868 1.029 -3.271 37 HG22 THR 5 HG22 THR 5 -2.242 0.696 -4.886 38 HG23 THR 5 HG23 THR 5 -2.869 2.298 -4.495 39 H GLU 6 H GLU 6 0.741 3.982 -2.580 40 HA GLU 6 HA GLU 6 -1.028 5.956 -1.813 41 HB2 GLU 6 HB2 GLU 6 1.906 5.556 -1.458 42 HB3 GLU 6 HB3 GLU 6 1.220 7.111 -1.007 43 HG2 GLU 6 HG2 GLU 6 0.217 4.471 0.027 44 HG3 GLU 6 HG3 GLU 6 1.408 5.472 0.856 45 H GLU 7 H GLU 7 2.001 6.593 -3.590 46 HA GLU 7 HA GLU 7 1.480 9.221 -4.266 47 HB2 GLU 7 HB2 GLU 7 3.195 7.076 -5.412 48 HB3 GLU 7 HB3 GLU 7 2.936 8.515 -6.388 49 HG2 GLU 7 HG2 GLU 7 3.658 9.028 -3.592 50 HG3 GLU 7 HG3 GLU 7 4.901 8.233 -4.556 51 H GLU 8 H GLU 8 0.762 6.300 -6.166 52 HA GLU 8 HA GLU 8 -0.416 7.611 -8.351 53 HB2 GLU 8 HB2 GLU 8 0.327 5.198 -8.241 54 HB3 GLU 8 HB3 GLU 8 -1.147 4.861 -7.346 55 HG2 GLU 8 HG2 GLU 8 -2.319 4.720 -9.213 56 HG3 GLU 8 HG3 GLU 8 -1.768 6.309 -9.738 57 H LYS 9 H LYS 9 -1.526 7.172 -5.171 58 HA LYS 9 HA LYS 9 -4.329 7.563 -5.934 59 HB2 LYS 9 HB2 LYS 9 -3.741 5.774 -4.290 60 HB3 LYS 9 HB3 LYS 9 -3.176 7.026 -3.192 61 HG2 LYS 9 HG2 LYS 9 -5.753 7.803 -3.924 62 HG3 LYS 9 HG3 LYS 9 -5.844 6.061 -3.653 63 HD2 LYS 9 HD2 LYS 9 -5.091 6.257 -1.437 64 HD3 LYS 9 HD3 LYS 9 -4.490 7.896 -1.697 65 HE2 LYS 9 HE2 LYS 9 -7.110 8.218 -2.291 66 HE3 LYS 9 HE3 LYS 9 -7.208 6.943 -1.078 67 HZ1 LYS 9 HZ1 LYS 9 -7.089 9.554 -0.512 68 HZ2 LYS 9 HZ2 LYS 9 -5.453 9.141 -0.401 69 HZ3 LYS 9 HZ3 LYS 9 -6.595 8.334 0.550 70 H ASN 10 H ASN 10 -1.609 9.290 -4.906 71 HA ASN 10 HA ASN 10 -3.178 11.425 -3.673 72 HB2 ASN 10 HB2 ASN 10 -0.184 11.354 -4.061 73 HB3 ASN 10 HB3 ASN 10 -1.104 12.356 -2.941 74 HD21 ASN 10 HD21 ASN 10 1.061 10.248 -2.675 75 HD22 ASN 10 HD22 ASN 10 0.461 9.191 -1.447 76 H ARG 11 H ARG 11 -1.516 10.634 -6.609 77 HA ARG 11 HA ARG 11 -1.064 13.179 -7.663 78 HB2 ARG 11 HB2 ARG 11 -0.268 10.965 -8.594 79 HB3 ARG 11 HB3 ARG 11 -1.879 10.757 -9.268 80 HG2 ARG 11 HG2 ARG 11 -1.287 13.207 -10.211 81 HG3 ARG 11 HG3 ARG 11 0.328 12.499 -10.132 82 HD2 ARG 11 HD2 ARG 11 -1.910 10.941 -11.348 83 HD3 ARG 11 HD3 ARG 11 -1.138 12.223 -12.280 84 HE ARG 11 HE ARG 11 0.903 10.655 -11.275 85 HH11 ARG 11 HH11 ARG 11 -1.095 8.991 -14.319 86 HH12 ARG 11 HH12 ARG 11 -1.838 10.245 -13.383 87 HH21 ARG 11 HH21 ARG 11 1.026 8.286 -13.816 88 HH22 ARG 11 HH22 ARG 11 1.891 9.005 -12.500 89 H LEU 12 H LEU 12 -3.996 11.434 -7.194 90 HA LEU 12 HA LEU 12 -5.516 12.997 -9.097 91 HB2 LEU 12 HB2 LEU 12 -6.670 11.239 -6.959 92 HB3 LEU 12 HB3 LEU 12 -7.360 11.668 -8.523 93 HG LEU 12 HG LEU 12 -6.757 9.502 -8.922 94 HD11 LEU 12 HD11 LEU 12 -5.363 11.288 -10.282 95 HD12 LEU 12 HD12 LEU 12 -5.106 9.556 -10.491 96 HD13 LEU 12 HD13 LEU 12 -4.012 10.493 -9.473 97 HD21 LEU 12 HD21 LEU 12 -5.307 8.256 -7.705 98 HD22 LEU 12 HD22 LEU 12 -5.523 9.577 -6.556 99 HD23 LEU 12 HD23 LEU 12 -4.106 9.545 -7.606 100 H ASN 13 H ASN 13 -5.250 12.721 -5.569 101 HA ASN 13 HA ASN 13 -7.161 14.746 -5.008 102 HB2 ASN 13 HB2 ASN 13 -5.042 13.351 -3.402 103 HB3 ASN 13 HB3 ASN 13 -5.904 14.729 -2.725 104 HD21 ASN 13 HD21 ASN 13 -6.367 11.557 -4.192 105 HD22 ASN 13 HD22 ASN 13 -7.835 11.188 -3.359 106 H PHE 14 H PHE 14 -3.691 14.735 -5.525 107 HA PHE 14 HA PHE 14 -3.242 17.402 -4.635 108 HB2 PHE 14 HB2 PHE 14 -1.372 15.914 -4.667 109 HB3 PHE 14 HB3 PHE 14 -1.627 15.529 -6.366 110 HD1 PHE 14 HD1 PHE 14 -0.347 16.595 -7.950 111 HD2 PHE 14 HD2 PHE 14 -0.907 18.442 -4.156 112 HE1 PHE 14 HE1 PHE 14 1.221 18.380 -8.591 113 HE2 PHE 14 HE2 PHE 14 0.659 20.230 -4.791 114 HZ PHE 14 HZ PHE 14 1.725 20.201 -7.011 115 H LEU 15 H LEU 15 -3.907 15.924 -7.767 116 HA LEU 15 HA LEU 15 -3.476 18.232 -9.337 117 HB2 LEU 15 HB2 LEU 15 -4.499 15.551 -9.706 118 HB3 LEU 15 HB3 LEU 15 -5.422 16.728 -10.639 119 HG LEU 15 HG LEU 15 -2.453 16.220 -10.816 120 HD11 LEU 15 HD11 LEU 15 -4.680 14.992 -12.067 121 HD12 LEU 15 HD12 LEU 15 -2.963 14.728 -12.369 122 HD13 LEU 15 HD13 LEU 15 -3.839 15.960 -13.278 123 HD21 LEU 15 HD21 LEU 15 -4.203 18.367 -11.928 124 HD22 LEU 15 HD22 LEU 15 -2.838 17.780 -12.877 125 HD23 LEU 15 HD23 LEU 15 -2.567 18.472 -11.277 126 H LYS 16 H LYS 16 -6.408 16.853 -7.890 127 HA LYS 16 HA LYS 16 -8.126 18.907 -8.885 128 HB2 LYS 16 HB2 LYS 16 -9.798 17.935 -7.348 129 HB3 LYS 16 HB3 LYS 16 -9.025 16.717 -8.354 130 HG2 LYS 16 HG2 LYS 16 -8.996 15.670 -6.327 131 HG3 LYS 16 HG3 LYS 16 -7.426 16.475 -6.292 132 HD2 LYS 16 HD2 LYS 16 -8.041 17.444 -4.386 133 HD3 LYS 16 HD3 LYS 16 -9.257 18.345 -5.294 134 HE2 LYS 16 HE2 LYS 16 -10.955 17.037 -4.571 135 HE3 LYS 16 HE3 LYS 16 -9.970 15.575 -4.571 136 HZ1 LYS 16 HZ1 LYS 16 -10.540 17.394 -2.426 137 HZ2 LYS 16 HZ2 LYS 16 -8.888 17.064 -2.579 138 HZ3 LYS 16 HZ3 LYS 16 -9.987 15.796 -2.368 139 H LYS 17 H LYS 17 -6.146 18.506 -6.061 140 HA LYS 17 HA LYS 17 -7.409 20.524 -4.482 141 HB2 LYS 17 HB2 LYS 17 -6.109 18.780 -3.409 142 HB3 LYS 17 HB3 LYS 17 -4.668 19.262 -4.295 143 HG2 LYS 17 HG2 LYS 17 -4.268 21.048 -2.955 144 HG3 LYS 17 HG3 LYS 17 -5.979 21.319 -2.616 145 HD2 LYS 17 HD2 LYS 17 -5.983 19.918 -0.839 146 HD3 LYS 17 HD3 LYS 17 -4.840 18.799 -1.585 147 HE2 LYS 17 HE2 LYS 17 -3.053 20.521 -1.163 148 HE3 LYS 17 HE3 LYS 17 -4.237 21.409 -0.206 149 HZ1 LYS 17 HZ1 LYS 17 -2.693 19.122 0.504 150 HZ2 LYS 17 HZ2 LYS 17 -4.343 18.841 0.744 151 HZ3 LYS 17 HZ3 LYS 17 -3.593 20.158 1.494 152 H ILE 18 H ILE 18 -4.889 20.478 -6.893 153 HA ILE 18 HA ILE 18 -4.217 23.275 -6.361 154 HB ILE 18 HB ILE 18 -2.383 23.005 -7.895 155 HG12 ILE 18 HG12 ILE 18 -3.557 20.275 -8.465 156 HG13 ILE 18 HG13 ILE 18 -3.460 21.627 -9.587 157 HG21 ILE 18 HG21 ILE 18 -1.192 22.049 -6.285 158 HG22 ILE 18 HG22 ILE 18 -2.699 21.537 -5.527 159 HG23 ILE 18 HG23 ILE 18 -1.875 20.467 -6.662 160 HD11 ILE 18 HD11 ILE 18 -0.851 21.291 -8.840 161 HD12 ILE 18 HD12 ILE 18 -1.464 19.637 -8.877 162 HD13 ILE 18 HD13 ILE 18 -1.595 20.659 -10.309 163 H SER 19 H SER 19 -5.799 21.234 -8.718 164 HA SER 19 HA SER 19 -5.914 22.940 -10.905 165 HB2 SER 19 HB2 SER 19 -6.784 20.916 -11.495 166 HB3 SER 19 HB3 SER 19 -7.531 20.660 -9.918 167 HG SER 19 HG SER 19 -9.312 21.240 -10.850 168 H GLN 20 H GLN 20 -7.686 23.014 -7.908 169 HA GLN 20 HA GLN 20 -9.830 24.650 -8.651 170 HB2 GLN 20 HB2 GLN 20 -8.690 23.646 -6.217 171 HB3 GLN 20 HB3 GLN 20 -9.082 25.348 -6.014 172 HG2 GLN 20 HG2 GLN 20 -11.186 24.784 -5.662 173 HG3 GLN 20 HG3 GLN 20 -11.278 24.190 -7.319 174 HE21 GLN 20 HE21 GLN 20 -10.673 21.952 -7.687 175 HE22 GLN 20 HE22 GLN 20 -10.964 20.786 -6.446 176 H ARG 21 H ARG 21 -6.497 25.396 -7.948 177 HA ARG 21 HA ARG 21 -7.074 28.270 -8.151 178 HB2 ARG 21 HB2 ARG 21 -4.917 28.657 -7.140 179 HB3 ARG 21 HB3 ARG 21 -5.806 27.497 -6.161 180 HG2 ARG 21 HG2 ARG 21 -4.482 25.698 -6.904 181 HG3 ARG 21 HG3 ARG 21 -3.792 26.652 -8.220 182 HD2 ARG 21 HD2 ARG 21 -3.209 28.084 -5.900 183 HD3 ARG 21 HD3 ARG 21 -2.928 26.395 -5.476 184 HE ARG 21 HE ARG 21 -1.725 26.897 -7.951 185 HH11 ARG 21 HH11 ARG 21 0.330 28.046 -4.714 186 HH12 ARG 21 HH12 ARG 21 -1.380 27.789 -4.604 187 HH21 ARG 21 HH21 ARG 21 1.413 27.729 -6.708 188 HH22 ARG 21 HH22 ARG 21 0.525 27.232 -8.109 189 H TYR 22 H TYR 22 -5.428 25.616 -9.679 190 HA TYR 22 HA TYR 22 -4.094 27.387 -11.578 191 HB2 TYR 22 HB2 TYR 22 -3.481 24.859 -10.490 192 HB3 TYR 22 HB3 TYR 22 -3.797 24.591 -12.200 193 HD1 TYR 22 HD1 TYR 22 -1.747 24.307 -13.242 194 HD2 TYR 22 HD2 TYR 22 -2.201 27.460 -10.422 195 HE1 TYR 22 HE1 TYR 22 0.512 25.113 -13.788 196 HE2 TYR 22 HE2 TYR 22 0.056 28.276 -10.961 197 HH TYR 22 HH TYR 22 2.310 26.849 -12.070 198 H GLN 23 H GLN 23 -6.170 28.124 -12.449 199 HA GLN 23 HA GLN 23 -7.085 26.323 -14.576 200 HB2 GLN 23 HB2 GLN 23 -9.395 26.863 -14.198 201 HB3 GLN 23 HB3 GLN 23 -8.714 26.276 -12.686 202 HG2 GLN 23 HG2 GLN 23 -9.279 28.139 -11.642 203 HG3 GLN 23 HG3 GLN 23 -8.436 29.122 -12.838 204 HE21 GLN 23 HE21 GLN 23 -9.848 28.701 -15.094 205 HE22 GLN 23 HE22 GLN 23 -11.469 29.268 -14.911 206 H LYS 24 H LYS 24 -5.537 29.027 -13.975 207 HA LYS 24 HA LYS 24 -6.738 30.464 -16.251 208 HB2 LYS 24 HB2 LYS 24 -6.261 32.556 -15.244 209 HB3 LYS 24 HB3 LYS 24 -7.025 31.582 -13.995 210 HG2 LYS 24 HG2 LYS 24 -4.792 31.068 -13.077 211 HG3 LYS 24 HG3 LYS 24 -4.080 32.137 -14.288 212 HD2 LYS 24 HD2 LYS 24 -5.093 34.045 -13.347 213 HD3 LYS 24 HD3 LYS 24 -6.204 33.075 -12.378 214 HE2 LYS 24 HE2 LYS 24 -4.153 32.177 -11.188 215 HE3 LYS 24 HE3 LYS 24 -3.243 33.452 -11.998 216 HZ1 LYS 24 HZ1 LYS 24 -4.003 34.963 -10.576 217 HZ2 LYS 24 HZ2 LYS 24 -4.562 33.681 -9.625 218 HZ3 LYS 24 HZ3 LYS 24 -5.605 34.438 -10.721 219 H PHE 25 H PHE 25 -3.861 29.345 -14.644 220 HA PHE 25 HA PHE 25 -1.856 30.697 -15.958 221 HB2 PHE 25 HB2 PHE 25 -0.407 28.890 -15.409 222 HB3 PHE 25 HB3 PHE 25 -1.613 28.959 -14.129 223 HD1 PHE 25 HD1 PHE 25 0.086 26.853 -16.341 224 HD2 PHE 25 HD2 PHE 25 -3.724 27.429 -14.533 225 HE1 PHE 25 HE1 PHE 25 -0.453 24.484 -16.730 226 HE2 PHE 25 HE2 PHE 25 -4.269 25.061 -14.918 227 HZ PHE 25 HZ PHE 25 -2.632 23.585 -16.017 228 H ALA 26 H ALA 26 -3.936 28.164 -17.161 229 HA ALA 26 HA ALA 26 -3.327 28.777 -19.867 230 HB1 ALA 26 HB1 ALA 26 -2.280 26.714 -20.552 231 HB2 ALA 26 HB2 ALA 26 -1.306 27.476 -19.294 232 HB3 ALA 26 HB3 ALA 26 -2.335 26.099 -18.900 233 H LEU 27 H LEU 27 -4.656 26.460 -17.566 234 HA LEU 27 HA LEU 27 -6.623 25.322 -17.509 235 HB2 LEU 27 HB2 LEU 27 -7.352 27.711 -18.287 236 HB3 LEU 27 HB3 LEU 27 -7.656 26.901 -19.822 237 HG LEU 27 HG LEU 27 -9.273 25.434 -18.756 238 HD11 LEU 27 HD11 LEU 27 -9.734 26.614 -16.270 239 HD12 LEU 27 HD12 LEU 27 -7.990 26.370 -16.357 240 HD13 LEU 27 HD13 LEU 27 -9.082 25.006 -16.588 241 HD21 LEU 27 HD21 LEU 27 -10.390 27.264 -19.572 242 HD22 LEU 27 HD22 LEU 27 -9.551 28.391 -18.505 243 HD23 LEU 27 HD23 LEU 27 -10.826 27.352 -17.865 244 HA PRO 28 HA PRO 28 -5.179 22.916 -21.242 245 HB2 PRO 28 HB2 PRO 28 -4.403 20.722 -19.843 246 HB3 PRO 28 HB3 PRO 28 -3.333 22.096 -20.147 247 HG2 PRO 28 HG2 PRO 28 -4.919 21.435 -17.695 248 HG3 PRO 28 HG3 PRO 28 -3.251 22.023 -17.824 249 HD2 PRO 28 HD2 PRO 28 -5.326 23.651 -17.212 250 HD3 PRO 28 HD3 PRO 28 -3.912 24.210 -18.129 251 H GLN 29 H GLN 29 -7.496 22.683 -18.791 252 HA GLN 29 HA GLN 29 -8.631 20.192 -19.060 253 HB2 GLN 29 HB2 GLN 29 -10.559 21.071 -18.092 254 HB3 GLN 29 HB3 GLN 29 -9.307 22.181 -17.553 255 HG2 GLN 29 HG2 GLN 29 -9.938 23.688 -19.437 256 HG3 GLN 29 HG3 GLN 29 -11.296 22.613 -19.765 257 HE21 GLN 29 HE21 GLN 29 -11.443 25.370 -19.068 258 HE22 GLN 29 HE22 GLN 29 -12.298 25.481 -17.572 259 H TYR 30 H TYR 30 -8.746 22.892 -21.267 260 HA TYR 30 HA TYR 30 -10.548 21.377 -23.031 261 HB2 TYR 30 HB2 TYR 30 -11.192 23.418 -24.040 262 HB3 TYR 30 HB3 TYR 30 -11.159 23.745 -22.311 263 HD1 TYR 30 HD1 TYR 30 -9.586 25.294 -21.372 264 HD2 TYR 30 HD2 TYR 30 -9.432 24.321 -25.511 265 HE1 TYR 30 HE1 TYR 30 -8.061 27.186 -21.754 266 HE2 TYR 30 HE2 TYR 30 -7.906 26.209 -25.904 267 HH TYR 30 HH TYR 30 -6.252 27.762 -23.529 268 H LEU 31 H LEU 31 -7.407 22.884 -22.782 269 HA LEU 31 HA LEU 31 -6.670 22.798 -25.495 270 HB2 LEU 31 HB2 LEU 31 -5.539 23.892 -23.397 271 HB3 LEU 31 HB3 LEU 31 -4.662 22.365 -23.332 272 HG LEU 31 HG LEU 31 -4.448 23.251 -25.984 273 HD11 LEU 31 HD11 LEU 31 -4.418 25.481 -24.020 274 HD12 LEU 31 HD12 LEU 31 -4.931 25.464 -25.707 275 HD13 LEU 31 HD13 LEU 31 -3.213 25.480 -25.308 276 HD21 LEU 31 HD21 LEU 31 -2.048 23.837 -24.918 277 HD22 LEU 31 HD22 LEU 31 -2.579 22.196 -25.289 278 HD23 LEU 31 HD23 LEU 31 -2.710 22.816 -23.642 279 H LYS 32 H LYS 32 -6.563 21.061 -26.741 280 HA LYS 32 HA LYS 32 -6.230 18.932 -27.472 281 HB2 LYS 32 HB2 LYS 32 -3.987 19.578 -25.741 282 HB3 LYS 32 HB3 LYS 32 -4.310 17.850 -25.767 283 HG2 LYS 32 HG2 LYS 32 -4.398 18.950 -28.428 284 HG3 LYS 32 HG3 LYS 32 -2.868 19.326 -27.633 285 HD2 LYS 32 HD2 LYS 32 -2.322 17.081 -27.350 286 HD3 LYS 32 HD3 LYS 32 -3.995 16.551 -27.542 287 HE2 LYS 32 HE2 LYS 32 -3.077 15.938 -29.566 288 HE3 LYS 32 HE3 LYS 32 -3.739 17.528 -29.943 289 HZ1 LYS 32 HZ1 LYS 32 -1.674 18.467 -30.052 290 HZ2 LYS 32 HZ2 LYS 32 -1.313 16.912 -30.610 291 HZ3 LYS 32 HZ3 LYS 32 -0.963 17.338 -29.011 Start of MODEL 18 1 H1 THR 2 H THR 2 3.467 1.150 3.066 2 HA THR 2 HA THR 2 2.248 0.156 1.288 3 HB THR 2 HB THR 2 1.444 2.498 -0.177 4 HG1 THR 2 HG1 THR 2 1.404 3.414 1.982 5 HG21 THR 2 HG21 THR 2 -0.770 1.443 0.008 6 HG22 THR 2 HG22 THR 2 -0.127 0.320 1.206 7 HG23 THR 2 HG23 THR 2 0.471 0.279 -0.452 8 H LYS 3 H LYS 3 2.352 0.874 -1.304 9 HA LYS 3 HA LYS 3 4.832 2.190 -1.946 10 HB2 LYS 3 HB2 LYS 3 5.568 0.017 -3.217 11 HB3 LYS 3 HB3 LYS 3 5.960 0.224 -1.515 12 HG2 LYS 3 HG2 LYS 3 3.408 -1.129 -2.181 13 HG3 LYS 3 HG3 LYS 3 4.911 -2.011 -2.463 14 HD2 LYS 3 HD2 LYS 3 5.335 -0.973 0.023 15 HD3 LYS 3 HD3 LYS 3 3.596 -1.276 0.054 16 HE2 LYS 3 HE2 LYS 3 4.005 -3.592 -0.656 17 HE3 LYS 3 HE3 LYS 3 5.740 -3.281 -0.645 18 HZ1 LYS 3 HZ1 LYS 3 5.149 -2.531 1.808 19 HZ2 LYS 3 HZ2 LYS 3 5.521 -4.135 1.422 20 HZ3 LYS 3 HZ3 LYS 3 3.907 -3.659 1.590 21 H LEU 4 H LEU 4 4.720 3.069 -3.924 22 HA LEU 4 HA LEU 4 4.063 3.492 -6.069 23 HB2 LEU 4 HB2 LEU 4 4.126 0.890 -6.136 24 HB3 LEU 4 HB3 LEU 4 2.369 1.028 -6.102 25 HG LEU 4 HG LEU 4 3.024 2.727 -8.138 26 HD11 LEU 4 HD11 LEU 4 4.782 0.341 -8.574 27 HD12 LEU 4 HD12 LEU 4 5.408 1.818 -7.842 28 HD13 LEU 4 HD13 LEU 4 4.725 1.860 -9.467 29 HD21 LEU 4 HD21 LEU 4 2.644 0.300 -9.394 30 HD22 LEU 4 HD22 LEU 4 1.379 1.403 -8.853 31 HD23 LEU 4 HD23 LEU 4 1.890 0.071 -7.816 32 H THR 5 H THR 5 1.306 1.799 -4.560 33 HA THR 5 HA THR 5 -0.669 3.479 -5.616 34 HB THR 5 HB THR 5 -1.405 1.400 -4.774 35 HG1 THR 5 HG1 THR 5 -2.989 2.058 -3.246 36 HG21 THR 5 HG21 THR 5 0.308 0.824 -3.229 37 HG22 THR 5 HG22 THR 5 -1.198 0.857 -2.313 38 HG23 THR 5 HG23 THR 5 -0.065 2.203 -2.197 39 H GLU 6 H GLU 6 1.188 3.674 -2.626 40 HA GLU 6 HA GLU 6 -0.259 5.690 -1.344 41 HB2 GLU 6 HB2 GLU 6 1.887 6.178 -0.154 42 HB3 GLU 6 HB3 GLU 6 1.420 4.483 -0.134 43 HG2 GLU 6 HG2 GLU 6 3.559 4.154 -0.707 44 HG3 GLU 6 HG3 GLU 6 2.971 4.515 -2.330 45 H GLU 7 H GLU 7 2.501 5.936 -3.570 46 HA GLU 7 HA GLU 7 2.534 8.790 -3.544 47 HB2 GLU 7 HB2 GLU 7 4.054 6.644 -4.785 48 HB3 GLU 7 HB3 GLU 7 3.786 7.982 -5.894 49 HG2 GLU 7 HG2 GLU 7 5.105 8.086 -3.195 50 HG3 GLU 7 HG3 GLU 7 5.858 8.331 -4.770 51 H GLU 8 H GLU 8 1.530 6.411 -6.003 52 HA GLU 8 HA GLU 8 0.584 8.153 -7.923 53 HB2 GLU 8 HB2 GLU 8 0.768 5.563 -7.933 54 HB3 GLU 8 HB3 GLU 8 -0.875 5.602 -7.310 55 HG2 GLU 8 HG2 GLU 8 -1.590 5.722 -9.396 56 HG3 GLU 8 HG3 GLU 8 -0.884 7.334 -9.492 57 H LYS 9 H LYS 9 -0.993 7.020 -4.990 58 HA LYS 9 HA LYS 9 -3.558 8.089 -5.576 59 HB2 LYS 9 HB2 LYS 9 -3.300 6.329 -3.927 60 HB3 LYS 9 HB3 LYS 9 -2.266 7.357 -2.943 61 HG2 LYS 9 HG2 LYS 9 -4.614 8.814 -3.272 62 HG3 LYS 9 HG3 LYS 9 -5.139 7.151 -2.999 63 HD2 LYS 9 HD2 LYS 9 -4.008 7.031 -0.929 64 HD3 LYS 9 HD3 LYS 9 -3.091 8.503 -1.258 65 HE2 LYS 9 HE2 LYS 9 -5.451 9.608 -1.367 66 HE3 LYS 9 HE3 LYS 9 -5.954 8.184 -0.457 67 HZ1 LYS 9 HZ1 LYS 9 -5.298 9.294 1.336 68 HZ2 LYS 9 HZ2 LYS 9 -4.508 10.483 0.428 69 HZ3 LYS 9 HZ3 LYS 9 -3.704 9.049 0.825 70 H ASN 10 H ASN 10 -0.661 9.379 -4.096 71 HA ASN 10 HA ASN 10 -1.816 11.682 -2.936 72 HB2 ASN 10 HB2 ASN 10 1.012 11.228 -3.914 73 HB3 ASN 10 HB3 ASN 10 0.496 12.554 -2.876 74 HD21 ASN 10 HD21 ASN 10 2.430 10.387 -2.430 75 HD22 ASN 10 HD22 ASN 10 1.914 9.594 -0.984 76 H ARG 11 H ARG 11 -0.354 11.071 -6.101 77 HA ARG 11 HA ARG 11 -0.281 13.633 -7.122 78 HB2 ARG 11 HB2 ARG 11 0.604 11.608 -8.256 79 HB3 ARG 11 HB3 ARG 11 -1.045 11.136 -8.645 80 HG2 ARG 11 HG2 ARG 11 -0.960 13.667 -9.635 81 HG3 ARG 11 HG3 ARG 11 0.696 13.120 -9.906 82 HD2 ARG 11 HD2 ARG 11 0.029 11.383 -11.293 83 HD3 ARG 11 HD3 ARG 11 -1.614 11.373 -10.654 84 HE ARG 11 HE ARG 11 -1.394 13.806 -11.843 85 HH11 ARG 11 HH11 ARG 11 -1.280 10.854 -14.545 86 HH12 ARG 11 HH12 ARG 11 -0.858 10.531 -12.896 87 HH21 ARG 11 HH21 ARG 11 -1.902 12.966 -15.178 88 HH22 ARG 11 HH22 ARG 11 -1.953 14.243 -14.011 89 H LEU 12 H LEU 12 -3.018 11.416 -6.907 90 HA LEU 12 HA LEU 12 -4.835 12.926 -8.438 91 HB2 LEU 12 HB2 LEU 12 -5.704 11.262 -6.112 92 HB3 LEU 12 HB3 LEU 12 -6.485 11.483 -7.676 93 HG LEU 12 HG LEU 12 -4.075 9.787 -7.051 94 HD11 LEU 12 HD11 LEU 12 -6.230 8.797 -6.487 95 HD12 LEU 12 HD12 LEU 12 -5.495 7.975 -7.863 96 HD13 LEU 12 HD13 LEU 12 -6.813 9.117 -8.121 97 HD21 LEU 12 HD21 LEU 12 -4.739 9.265 -9.650 98 HD22 LEU 12 HD22 LEU 12 -3.394 10.278 -9.126 99 HD23 LEU 12 HD23 LEU 12 -4.937 11.015 -9.560 100 H ASN 13 H ASN 13 -3.809 13.141 -5.107 101 HA ASN 13 HA ASN 13 -5.908 14.999 -4.389 102 HB2 ASN 13 HB2 ASN 13 -3.543 13.837 -2.935 103 HB3 ASN 13 HB3 ASN 13 -4.469 15.169 -2.248 104 HD21 ASN 13 HD21 ASN 13 -5.427 12.285 -4.072 105 HD22 ASN 13 HD22 ASN 13 -6.517 11.682 -2.875 106 H PHE 14 H PHE 14 -2.443 15.092 -5.075 107 HA PHE 14 HA PHE 14 -2.074 17.832 -4.473 108 HB2 PHE 14 HB2 PHE 14 -0.127 16.482 -4.543 109 HB3 PHE 14 HB3 PHE 14 -0.516 15.868 -6.147 110 HD1 PHE 14 HD1 PHE 14 0.545 18.890 -4.295 111 HD2 PHE 14 HD2 PHE 14 0.245 16.959 -8.076 112 HE1 PHE 14 HE1 PHE 14 1.944 20.647 -5.300 113 HE2 PHE 14 HE2 PHE 14 1.643 18.713 -9.087 114 HZ PHE 14 HZ PHE 14 2.495 20.560 -7.699 115 H LEU 15 H LEU 15 -2.753 16.109 -7.494 116 HA LEU 15 HA LEU 15 -2.616 18.338 -9.204 117 HB2 LEU 15 HB2 LEU 15 -2.821 15.737 -9.642 118 HB3 LEU 15 HB3 LEU 15 -4.532 16.136 -9.771 119 HG LEU 15 HG LEU 15 -3.660 16.117 -11.972 120 HD11 LEU 15 HD11 LEU 15 -3.716 19.016 -11.163 121 HD12 LEU 15 HD12 LEU 15 -5.158 18.017 -11.339 122 HD13 LEU 15 HD13 LEU 15 -4.123 18.325 -12.734 123 HD21 LEU 15 HD21 LEU 15 -1.249 16.527 -10.979 124 HD22 LEU 15 HD22 LEU 15 -1.606 18.196 -11.423 125 HD23 LEU 15 HD23 LEU 15 -1.637 16.930 -12.651 126 H LYS 16 H LYS 16 -5.345 16.865 -7.485 127 HA LYS 16 HA LYS 16 -7.276 18.699 -8.507 128 HB2 LYS 16 HB2 LYS 16 -7.370 16.868 -6.103 129 HB3 LYS 16 HB3 LYS 16 -8.749 17.753 -6.743 130 HG2 LYS 16 HG2 LYS 16 -7.262 16.004 -8.615 131 HG3 LYS 16 HG3 LYS 16 -8.259 15.230 -7.381 132 HD2 LYS 16 HD2 LYS 16 -9.370 17.453 -9.051 133 HD3 LYS 16 HD3 LYS 16 -9.303 15.807 -9.687 134 HE2 LYS 16 HE2 LYS 16 -10.929 15.068 -8.301 135 HE3 LYS 16 HE3 LYS 16 -10.404 16.093 -6.966 136 HZ1 LYS 16 HZ1 LYS 16 -11.403 17.719 -9.026 137 HZ2 LYS 16 HZ2 LYS 16 -12.006 17.516 -7.459 138 HZ3 LYS 16 HZ3 LYS 16 -12.540 16.507 -8.707 139 H LYS 17 H LYS 17 -5.185 18.611 -5.705 140 HA LYS 17 HA LYS 17 -6.467 20.684 -4.247 141 HB2 LYS 17 HB2 LYS 17 -4.976 19.138 -3.127 142 HB3 LYS 17 HB3 LYS 17 -3.633 19.637 -4.147 143 HG2 LYS 17 HG2 LYS 17 -3.467 21.727 -3.098 144 HG3 LYS 17 HG3 LYS 17 -5.057 21.569 -2.347 145 HD2 LYS 17 HD2 LYS 17 -3.719 19.372 -1.390 146 HD3 LYS 17 HD3 LYS 17 -2.450 20.597 -1.453 147 HE2 LYS 17 HE2 LYS 17 -3.231 21.323 0.505 148 HE3 LYS 17 HE3 LYS 17 -4.616 21.946 -0.390 149 HZ1 LYS 17 HZ1 LYS 17 -5.952 20.378 0.438 150 HZ2 LYS 17 HZ2 LYS 17 -4.765 20.173 1.625 151 HZ3 LYS 17 HZ3 LYS 17 -4.801 19.147 0.280 152 H ILE 18 H ILE 18 -3.967 20.623 -6.712 153 HA ILE 18 HA ILE 18 -3.487 23.480 -6.458 154 HB ILE 18 HB ILE 18 -1.789 23.209 -8.143 155 HG12 ILE 18 HG12 ILE 18 -2.864 20.397 -8.446 156 HG13 ILE 18 HG13 ILE 18 -2.937 21.682 -9.647 157 HG21 ILE 18 HG21 ILE 18 -1.058 20.769 -6.807 158 HG22 ILE 18 HG22 ILE 18 -0.393 22.391 -6.622 159 HG23 ILE 18 HG23 ILE 18 -1.796 21.900 -5.673 160 HD11 ILE 18 HD11 ILE 18 -0.245 21.465 -9.057 161 HD12 ILE 18 HD12 ILE 18 -0.825 19.800 -9.078 162 HD13 ILE 18 HD13 ILE 18 -1.069 20.837 -10.483 163 H SER 19 H SER 19 -5.195 21.239 -8.517 164 HA SER 19 HA SER 19 -5.592 22.822 -10.775 165 HB2 SER 19 HB2 SER 19 -6.241 20.564 -10.961 166 HB3 SER 19 HB3 SER 19 -7.236 20.640 -9.507 167 HG SER 19 HG SER 19 -8.619 20.727 -11.226 168 H GLN 20 H GLN 20 -6.992 23.018 -7.617 169 HA GLN 20 HA GLN 20 -9.350 24.416 -8.189 170 HB2 GLN 20 HB2 GLN 20 -7.773 23.777 -5.850 171 HB3 GLN 20 HB3 GLN 20 -8.406 25.415 -5.747 172 HG2 GLN 20 HG2 GLN 20 -10.343 24.592 -5.086 173 HG3 GLN 20 HG3 GLN 20 -10.520 23.805 -6.653 174 HE21 GLN 20 HE21 GLN 20 -10.050 21.632 -6.858 175 HE22 GLN 20 HE22 GLN 20 -9.838 20.593 -5.493 176 H ARG 21 H ARG 21 -6.027 25.473 -7.961 177 HA ARG 21 HA ARG 21 -6.880 28.256 -8.379 178 HB2 ARG 21 HB2 ARG 21 -4.914 28.981 -7.385 179 HB3 ARG 21 HB3 ARG 21 -5.277 27.529 -6.461 180 HG2 ARG 21 HG2 ARG 21 -3.747 26.368 -8.227 181 HG3 ARG 21 HG3 ARG 21 -3.140 28.006 -8.481 182 HD2 ARG 21 HD2 ARG 21 -1.718 27.121 -6.855 183 HD3 ARG 21 HD3 ARG 21 -2.867 28.093 -5.936 184 HE ARG 21 HE ARG 21 -3.721 25.388 -6.143 185 HH11 ARG 21 HH11 ARG 21 -1.440 26.491 -3.044 186 HH12 ARG 21 HH12 ARG 21 -1.513 27.488 -4.459 187 HH21 ARG 21 HH21 ARG 21 -2.645 24.545 -2.947 188 HH22 ARG 21 HH22 ARG 21 -3.633 24.067 -4.286 189 H TYR 22 H TYR 22 -5.059 25.612 -9.738 190 HA TYR 22 HA TYR 22 -3.999 27.245 -11.893 191 HB2 TYR 22 HB2 TYR 22 -3.153 24.906 -10.654 192 HB3 TYR 22 HB3 TYR 22 -3.723 24.364 -12.228 193 HD1 TYR 22 HD1 TYR 22 -1.920 24.009 -13.624 194 HD2 TYR 22 HD2 TYR 22 -1.911 27.437 -11.103 195 HE1 TYR 22 HE1 TYR 22 0.192 24.747 -14.646 196 HE2 TYR 22 HE2 TYR 22 0.200 28.185 -12.119 197 HH TYR 22 HH TYR 22 2.236 26.439 -13.625 198 H GLN 23 H GLN 23 -6.465 27.687 -12.276 199 HA GLN 23 HA GLN 23 -7.352 25.806 -14.362 200 HB2 GLN 23 HB2 GLN 23 -8.762 26.747 -12.005 201 HB3 GLN 23 HB3 GLN 23 -9.641 27.129 -13.480 202 HG2 GLN 23 HG2 GLN 23 -8.821 24.503 -13.827 203 HG3 GLN 23 HG3 GLN 23 -9.300 24.600 -12.133 204 HE21 GLN 23 HE21 GLN 23 -10.625 23.096 -14.119 205 HE22 GLN 23 HE22 GLN 23 -12.215 23.744 -14.305 206 H LYS 24 H LYS 24 -6.134 28.773 -13.818 207 HA LYS 24 HA LYS 24 -7.526 29.921 -16.148 208 HB2 LYS 24 HB2 LYS 24 -7.380 32.108 -15.202 209 HB3 LYS 24 HB3 LYS 24 -8.073 31.057 -13.973 210 HG2 LYS 24 HG2 LYS 24 -5.968 30.943 -12.813 211 HG3 LYS 24 HG3 LYS 24 -5.173 31.859 -14.096 212 HD2 LYS 24 HD2 LYS 24 -5.614 33.674 -12.867 213 HD3 LYS 24 HD3 LYS 24 -7.290 33.475 -13.384 214 HE2 LYS 24 HE2 LYS 24 -7.910 32.444 -11.397 215 HE3 LYS 24 HE3 LYS 24 -6.253 31.996 -10.998 216 HZ1 LYS 24 HZ1 LYS 24 -5.744 34.213 -10.420 217 HZ2 LYS 24 HZ2 LYS 24 -7.217 33.862 -9.665 218 HZ3 LYS 24 HZ3 LYS 24 -7.190 34.807 -11.068 219 H PHE 25 H PHE 25 -4.679 28.712 -14.999 220 HA PHE 25 HA PHE 25 -2.782 30.533 -16.053 221 HB2 PHE 25 HB2 PHE 25 -1.156 28.863 -15.629 222 HB3 PHE 25 HB3 PHE 25 -2.367 28.670 -14.365 223 HD1 PHE 25 HD1 PHE 25 -0.561 27.073 -16.983 224 HD2 PHE 25 HD2 PHE 25 -4.150 26.876 -14.703 225 HE1 PHE 25 HE1 PHE 25 -0.821 24.706 -17.604 226 HE2 PHE 25 HE2 PHE 25 -4.415 24.508 -15.319 227 HZ PHE 25 HZ PHE 25 -2.749 23.420 -16.770 228 H ALA 26 H ALA 26 -4.593 27.870 -17.420 229 HA ALA 26 HA ALA 26 -4.307 28.734 -20.063 230 HB1 ALA 26 HB1 ALA 26 -2.901 26.456 -20.581 231 HB2 ALA 26 HB2 ALA 26 -2.210 28.077 -20.501 232 HB3 ALA 26 HB3 ALA 26 -2.143 27.019 -19.092 233 H LEU 27 H LEU 27 -4.800 26.039 -17.868 234 HA LEU 27 HA LEU 27 -6.229 24.265 -17.892 235 HB2 LEU 27 HB2 LEU 27 -7.683 26.493 -18.141 236 HB3 LEU 27 HB3 LEU 27 -8.129 25.703 -19.652 237 HG LEU 27 HG LEU 27 -9.802 25.147 -18.079 238 HD11 LEU 27 HD11 LEU 27 -9.842 22.888 -18.336 239 HD12 LEU 27 HD12 LEU 27 -8.167 22.685 -17.821 240 HD13 LEU 27 HD13 LEU 27 -8.525 23.271 -19.446 241 HD21 LEU 27 HD21 LEU 27 -8.927 25.679 -15.991 242 HD22 LEU 27 HD22 LEU 27 -7.502 24.664 -16.220 243 HD23 LEU 27 HD23 LEU 27 -9.077 23.922 -15.931 244 HA PRO 28 HA PRO 28 -4.893 22.856 -22.071 245 HB2 PRO 28 HB2 PRO 28 -3.877 20.500 -21.183 246 HB3 PRO 28 HB3 PRO 28 -2.952 22.007 -21.181 247 HG2 PRO 28 HG2 PRO 28 -4.412 20.677 -18.931 248 HG3 PRO 28 HG3 PRO 28 -2.812 21.442 -18.929 249 HD2 PRO 28 HD2 PRO 28 -5.021 22.685 -17.978 250 HD3 PRO 28 HD3 PRO 28 -3.688 23.566 -18.751 251 H GLN 29 H GLN 29 -7.311 22.781 -22.278 252 HA GLN 29 HA GLN 29 -8.137 20.039 -22.629 253 HB2 GLN 29 HB2 GLN 29 -9.005 20.066 -20.496 254 HB3 GLN 29 HB3 GLN 29 -9.305 21.798 -20.524 255 HG2 GLN 29 HG2 GLN 29 -10.888 20.030 -22.319 256 HG3 GLN 29 HG3 GLN 29 -11.278 20.086 -20.601 257 HE21 GLN 29 HE21 GLN 29 -10.924 22.654 -19.934 258 HE22 GLN 29 HE22 GLN 29 -11.995 23.678 -20.823 259 H TYR 30 H TYR 30 -9.104 23.448 -22.693 260 HA TYR 30 HA TYR 30 -10.958 22.949 -24.876 261 HB2 TYR 30 HB2 TYR 30 -11.678 25.202 -24.595 262 HB3 TYR 30 HB3 TYR 30 -11.448 24.548 -22.977 263 HD1 TYR 30 HD1 TYR 30 -9.689 25.374 -21.539 264 HD2 TYR 30 HD2 TYR 30 -10.150 26.886 -25.489 265 HE1 TYR 30 HE1 TYR 30 -8.190 27.245 -20.991 266 HE2 TYR 30 HE2 TYR 30 -8.651 28.761 -24.952 267 HH TYR 30 HH TYR 30 -6.946 29.368 -23.398 268 H LEU 31 H LEU 31 -7.756 24.182 -24.349 269 HA LEU 31 HA LEU 31 -7.337 25.722 -26.609 270 HB2 LEU 31 HB2 LEU 31 -5.768 24.590 -24.581 271 HB3 LEU 31 HB3 LEU 31 -5.047 24.056 -26.099 272 HG LEU 31 HG LEU 31 -3.969 26.076 -25.286 273 HD11 LEU 31 HD11 LEU 31 -5.626 26.312 -27.777 274 HD12 LEU 31 HD12 LEU 31 -3.917 25.907 -27.621 275 HD13 LEU 31 HD13 LEU 31 -4.465 27.553 -27.304 276 HD21 LEU 31 HD21 LEU 31 -5.979 26.924 -24.055 277 HD22 LEU 31 HD22 LEU 31 -6.626 27.461 -25.606 278 HD23 LEU 31 HD23 LEU 31 -5.118 28.143 -24.995 279 H LYS 32 H LYS 32 -6.691 22.232 -26.254 280 HA LYS 32 HA LYS 32 -6.232 21.908 -29.072 281 HB2 LYS 32 HB2 LYS 32 -6.575 19.861 -26.873 282 HB3 LYS 32 HB3 LYS 32 -6.074 19.495 -28.519 283 HG2 LYS 32 HG2 LYS 32 -4.004 20.520 -28.250 284 HG3 LYS 32 HG3 LYS 32 -4.536 21.437 -26.839 285 HD2 LYS 32 HD2 LYS 32 -4.511 19.510 -25.463 286 HD3 LYS 32 HD3 LYS 32 -4.356 18.432 -26.852 287 HE2 LYS 32 HE2 LYS 32 -2.141 19.645 -27.295 288 HE3 LYS 32 HE3 LYS 32 -2.301 20.263 -25.652 289 HZ1 LYS 32 HZ1 LYS 32 -2.752 17.605 -25.369 290 HZ2 LYS 32 HZ2 LYS 32 -1.287 18.389 -25.054 291 HZ3 LYS 32 HZ3 LYS 32 -1.543 17.646 -26.552 Start of MODEL 19 1 H1 THR 2 H THR 2 2.773 -0.107 0.208 2 HA THR 2 HA THR 2 2.808 -0.384 -2.096 3 HB THR 2 HB THR 2 1.123 0.982 -3.486 4 HG1 THR 2 HG1 THR 2 -0.395 1.051 -1.113 5 HG21 THR 2 HG21 THR 2 -0.758 -0.659 -2.316 6 HG22 THR 2 HG22 THR 2 0.769 -1.433 -1.890 7 HG23 THR 2 HG23 THR 2 0.376 -1.129 -3.582 8 H LYS 3 H LYS 3 3.715 0.838 -3.843 9 HA LYS 3 HA LYS 3 4.712 3.476 -2.989 10 HB2 LYS 3 HB2 LYS 3 5.999 1.187 -4.388 11 HB3 LYS 3 HB3 LYS 3 6.492 2.806 -4.865 12 HG2 LYS 3 HG2 LYS 3 6.699 3.100 -2.234 13 HG3 LYS 3 HG3 LYS 3 6.941 1.354 -2.325 14 HD2 LYS 3 HD2 LYS 3 8.451 3.110 -4.201 15 HD3 LYS 3 HD3 LYS 3 8.970 3.024 -2.516 16 HE2 LYS 3 HE2 LYS 3 8.471 0.542 -4.125 17 HE3 LYS 3 HE3 LYS 3 10.015 1.389 -4.206 18 HZ1 LYS 3 HZ1 LYS 3 8.896 -0.217 -2.070 19 HZ2 LYS 3 HZ2 LYS 3 9.665 1.203 -1.568 20 HZ3 LYS 3 HZ3 LYS 3 10.512 0.061 -2.484 21 H LEU 4 H LEU 4 3.017 1.720 -5.414 22 HA LEU 4 HA LEU 4 3.167 3.961 -7.296 23 HB2 LEU 4 HB2 LEU 4 2.381 1.091 -7.513 24 HB3 LEU 4 HB3 LEU 4 1.742 2.249 -8.678 25 HG LEU 4 HG LEU 4 4.287 2.862 -8.967 26 HD11 LEU 4 HD11 LEU 4 4.326 0.111 -7.766 27 HD12 LEU 4 HD12 LEU 4 5.289 1.521 -7.325 28 HD13 LEU 4 HD13 LEU 4 5.597 0.684 -8.846 29 HD21 LEU 4 HD21 LEU 4 4.272 0.664 -10.543 30 HD22 LEU 4 HD22 LEU 4 3.436 2.168 -10.930 31 HD23 LEU 4 HD23 LEU 4 2.551 0.831 -10.194 32 H THR 5 H THR 5 0.759 1.912 -5.668 33 HA THR 5 HA THR 5 -1.553 3.154 -6.535 34 HB THR 5 HB THR 5 -1.277 2.217 -3.690 35 HG1 THR 5 HG1 THR 5 -1.469 0.596 -6.031 36 HG21 THR 5 HG21 THR 5 -3.554 1.352 -4.124 37 HG22 THR 5 HG22 THR 5 -3.482 2.038 -5.747 38 HG23 THR 5 HG23 THR 5 -3.442 3.098 -4.339 39 H GLU 6 H GLU 6 0.092 3.810 -3.432 40 HA GLU 6 HA GLU 6 -1.390 5.977 -2.621 41 HB2 GLU 6 HB2 GLU 6 1.598 5.734 -2.259 42 HB3 GLU 6 HB3 GLU 6 0.473 6.611 -1.231 43 HG2 GLU 6 HG2 GLU 6 -0.622 4.206 -1.024 44 HG3 GLU 6 HG3 GLU 6 1.027 3.708 -1.399 45 H GLU 7 H GLU 7 1.730 6.195 -4.343 46 HA GLU 7 HA GLU 7 1.805 8.901 -4.777 47 HB2 GLU 7 HB2 GLU 7 2.738 6.650 -6.557 48 HB3 GLU 7 HB3 GLU 7 3.105 8.339 -6.876 49 HG2 GLU 7 HG2 GLU 7 4.219 8.478 -4.680 50 HG3 GLU 7 HG3 GLU 7 3.920 6.756 -4.451 51 H GLU 8 H GLU 8 -0.038 6.476 -6.526 52 HA GLU 8 HA GLU 8 -0.897 8.279 -8.588 53 HB2 GLU 8 HB2 GLU 8 -0.752 5.628 -8.530 54 HB3 GLU 8 HB3 GLU 8 -2.409 5.785 -7.966 55 HG2 GLU 8 HG2 GLU 8 -3.048 5.935 -10.074 56 HG3 GLU 8 HG3 GLU 8 -2.215 7.485 -10.170 57 H LYS 9 H LYS 9 -2.134 7.185 -5.501 58 HA LYS 9 HA LYS 9 -4.742 8.340 -5.873 59 HB2 LYS 9 HB2 LYS 9 -5.302 7.282 -3.952 60 HB3 LYS 9 HB3 LYS 9 -3.807 6.401 -4.240 61 HG2 LYS 9 HG2 LYS 9 -2.629 8.038 -2.792 62 HG3 LYS 9 HG3 LYS 9 -4.193 8.768 -2.422 63 HD2 LYS 9 HD2 LYS 9 -4.834 7.044 -1.091 64 HD3 LYS 9 HD3 LYS 9 -3.974 5.840 -2.054 65 HE2 LYS 9 HE2 LYS 9 -1.874 7.165 -1.083 66 HE3 LYS 9 HE3 LYS 9 -3.025 7.508 0.207 67 HZ1 LYS 9 HZ1 LYS 9 -2.530 4.761 -0.776 68 HZ2 LYS 9 HZ2 LYS 9 -3.284 5.236 0.662 69 HZ3 LYS 9 HZ3 LYS 9 -1.617 5.450 0.470 70 H ASN 10 H ASN 10 -1.673 9.492 -4.940 71 HA ASN 10 HA ASN 10 -2.697 11.724 -3.395 72 HB2 ASN 10 HB2 ASN 10 0.128 11.169 -4.328 73 HB3 ASN 10 HB3 ASN 10 -0.359 12.361 -3.126 74 HD21 ASN 10 HD21 ASN 10 1.266 9.725 -3.233 75 HD22 ASN 10 HD22 ASN 10 0.732 8.891 -1.817 76 H ARG 11 H ARG 11 -1.052 11.208 -6.500 77 HA ARG 11 HA ARG 11 -0.800 13.811 -7.360 78 HB2 ARG 11 HB2 ARG 11 -0.056 11.635 -8.504 79 HB3 ARG 11 HB3 ARG 11 -1.666 11.600 -9.211 80 HG2 ARG 11 HG2 ARG 11 -0.481 14.190 -9.574 81 HG3 ARG 11 HG3 ARG 11 0.594 12.926 -10.176 82 HD2 ARG 11 HD2 ARG 11 -2.254 12.634 -10.877 83 HD3 ARG 11 HD3 ARG 11 -1.423 14.006 -11.609 84 HE ARG 11 HE ARG 11 0.195 11.769 -11.953 85 HH11 ARG 11 HH11 ARG 11 -2.916 12.036 -14.459 86 HH12 ARG 11 HH12 ARG 11 -2.939 12.904 -12.960 87 HH21 ARG 11 HH21 ARG 11 -1.109 10.737 -15.006 88 HH22 ARG 11 HH22 ARG 11 0.237 10.621 -13.924 89 H LEU 12 H LEU 12 -3.671 11.827 -7.204 90 HA LEU 12 HA LEU 12 -5.311 13.468 -8.848 91 HB2 LEU 12 HB2 LEU 12 -5.756 11.249 -6.920 92 HB3 LEU 12 HB3 LEU 12 -7.136 12.247 -7.374 93 HG LEU 12 HG LEU 12 -7.008 11.568 -9.633 94 HD11 LEU 12 HD11 LEU 12 -4.811 11.615 -10.290 95 HD12 LEU 12 HD12 LEU 12 -5.098 9.877 -10.216 96 HD13 LEU 12 HD13 LEU 12 -4.257 10.688 -8.895 97 HD21 LEU 12 HD21 LEU 12 -8.032 9.695 -9.027 98 HD22 LEU 12 HD22 LEU 12 -7.120 9.627 -7.519 99 HD23 LEU 12 HD23 LEU 12 -6.459 8.899 -8.983 100 H ASN 13 H ASN 13 -4.866 13.214 -5.334 101 HA ASN 13 HA ASN 13 -6.745 15.257 -4.708 102 HB2 ASN 13 HB2 ASN 13 -4.534 13.938 -3.136 103 HB3 ASN 13 HB3 ASN 13 -5.541 15.211 -2.453 104 HD21 ASN 13 HD21 ASN 13 -5.816 12.126 -4.175 105 HD22 ASN 13 HD22 ASN 13 -7.190 11.561 -3.293 106 H PHE 14 H PHE 14 -3.265 15.189 -5.241 107 HA PHE 14 HA PHE 14 -2.714 17.816 -4.372 108 HB2 PHE 14 HB2 PHE 14 -0.864 16.355 -4.590 109 HB3 PHE 14 HB3 PHE 14 -1.290 15.935 -6.246 110 HD1 PHE 14 HD1 PHE 14 -0.140 18.759 -4.129 111 HD2 PHE 14 HD2 PHE 14 -0.336 17.073 -8.033 112 HE1 PHE 14 HE1 PHE 14 1.379 20.508 -4.957 113 HE2 PHE 14 HE2 PHE 14 1.184 18.819 -8.867 114 HZ PHE 14 HZ PHE 14 2.044 20.539 -7.328 115 H LEU 15 H LEU 15 -3.649 16.485 -7.501 116 HA LEU 15 HA LEU 15 -3.324 18.913 -8.948 117 HB2 LEU 15 HB2 LEU 15 -3.661 16.337 -9.659 118 HB3 LEU 15 HB3 LEU 15 -5.299 16.940 -9.906 119 HG LEU 15 HG LEU 15 -4.195 17.058 -11.997 120 HD11 LEU 15 HD11 LEU 15 -4.001 19.855 -10.913 121 HD12 LEU 15 HD12 LEU 15 -5.541 19.055 -11.225 122 HD13 LEU 15 HD13 LEU 15 -4.412 19.339 -12.549 123 HD21 LEU 15 HD21 LEU 15 -1.987 18.669 -10.736 124 HD22 LEU 15 HD22 LEU 15 -2.059 18.023 -12.376 125 HD23 LEU 15 HD23 LEU 15 -1.887 16.929 -11.003 126 H LYS 16 H LYS 16 -6.106 17.297 -7.463 127 HA LYS 16 HA LYS 16 -7.991 19.276 -8.286 128 HB2 LYS 16 HB2 LYS 16 -8.223 17.269 -6.038 129 HB3 LYS 16 HB3 LYS 16 -9.548 18.137 -6.803 130 HG2 LYS 16 HG2 LYS 16 -7.971 16.695 -8.747 131 HG3 LYS 16 HG3 LYS 16 -8.581 15.628 -7.480 132 HD2 LYS 16 HD2 LYS 16 -10.380 17.614 -8.827 133 HD3 LYS 16 HD3 LYS 16 -10.048 16.044 -9.563 134 HE2 LYS 16 HE2 LYS 16 -10.663 15.596 -6.837 135 HE3 LYS 16 HE3 LYS 16 -11.882 16.697 -7.478 136 HZ1 LYS 16 HZ1 LYS 16 -11.162 14.325 -9.047 137 HZ2 LYS 16 HZ2 LYS 16 -12.636 15.149 -8.957 138 HZ3 LYS 16 HZ3 LYS 16 -12.162 14.127 -7.696 139 H LYS 17 H LYS 17 -5.743 19.011 -5.696 140 HA LYS 17 HA LYS 17 -7.077 20.877 -3.953 141 HB2 LYS 17 HB2 LYS 17 -5.690 19.227 -2.914 142 HB3 LYS 17 HB3 LYS 17 -4.319 19.651 -3.931 143 HG2 LYS 17 HG2 LYS 17 -3.694 21.330 -2.596 144 HG3 LYS 17 HG3 LYS 17 -5.354 21.878 -2.345 145 HD2 LYS 17 HD2 LYS 17 -5.657 19.926 -0.793 146 HD3 LYS 17 HD3 LYS 17 -3.921 19.635 -0.929 147 HE2 LYS 17 HE2 LYS 17 -3.532 21.161 0.635 148 HE3 LYS 17 HE3 LYS 17 -4.324 22.390 -0.351 149 HZ1 LYS 17 HZ1 LYS 17 -6.446 21.735 0.609 150 HZ2 LYS 17 HZ2 LYS 17 -5.361 22.207 1.817 151 HZ3 LYS 17 HZ3 LYS 17 -5.680 20.566 1.562 152 H ILE 18 H ILE 18 -4.472 20.977 -6.320 153 HA ILE 18 HA ILE 18 -3.935 23.779 -5.784 154 HB ILE 18 HB ILE 18 -2.206 23.621 -7.461 155 HG12 ILE 18 HG12 ILE 18 -3.347 20.876 -8.023 156 HG13 ILE 18 HG13 ILE 18 -3.340 22.255 -9.117 157 HG21 ILE 18 HG21 ILE 18 -2.301 22.119 -5.108 158 HG22 ILE 18 HG22 ILE 18 -1.569 21.061 -6.312 159 HG23 ILE 18 HG23 ILE 18 -0.864 22.644 -5.984 160 HD11 ILE 18 HD11 ILE 18 -0.676 21.892 -8.456 161 HD12 ILE 18 HD12 ILE 18 -1.314 20.259 -8.650 162 HD13 ILE 18 HD13 ILE 18 -1.469 21.429 -9.961 163 H SER 19 H SER 19 -5.644 21.810 -8.106 164 HA SER 19 HA SER 19 -5.924 23.545 -10.237 165 HB2 SER 19 HB2 SER 19 -6.915 21.575 -10.790 166 HB3 SER 19 HB3 SER 19 -7.482 21.282 -9.146 167 HG SER 19 HG SER 19 -8.629 23.054 -11.045 168 H GLN 20 H GLN 20 -7.521 23.583 -7.125 169 HA GLN 20 HA GLN 20 -9.656 25.275 -7.647 170 HB2 GLN 20 HB2 GLN 20 -7.984 25.298 -5.132 171 HB3 GLN 20 HB3 GLN 20 -9.666 25.789 -5.290 172 HG2 GLN 20 HG2 GLN 20 -8.544 23.010 -5.518 173 HG3 GLN 20 HG3 GLN 20 -9.605 23.644 -4.261 174 HE21 GLN 20 HE21 GLN 20 -10.106 21.341 -5.813 175 HE22 GLN 20 HE22 GLN 20 -11.526 21.631 -6.753 176 H ARG 21 H ARG 21 -6.269 26.035 -7.060 177 HA ARG 21 HA ARG 21 -6.837 28.895 -7.329 178 HB2 ARG 21 HB2 ARG 21 -4.603 29.276 -6.509 179 HB3 ARG 21 HB3 ARG 21 -5.398 28.114 -5.455 180 HG2 ARG 21 HG2 ARG 21 -4.153 26.313 -6.344 181 HG3 ARG 21 HG3 ARG 21 -3.562 27.294 -7.686 182 HD2 ARG 21 HD2 ARG 21 -2.808 28.671 -5.378 183 HD3 ARG 21 HD3 ARG 21 -2.489 26.973 -5.028 184 HE ARG 21 HE ARG 21 -1.484 27.551 -7.573 185 HH11 ARG 21 HH11 ARG 21 0.811 28.628 -4.475 186 HH12 ARG 21 HH12 ARG 21 -0.884 28.356 -4.239 187 HH21 ARG 21 HH21 ARG 21 1.737 28.373 -6.555 188 HH22 ARG 21 HH22 ARG 21 0.746 27.906 -7.895 189 H TYR 22 H TYR 22 -5.340 26.219 -8.972 190 HA TYR 22 HA TYR 22 -4.188 27.971 -11.004 191 HB2 TYR 22 HB2 TYR 22 -3.459 25.466 -9.939 192 HB3 TYR 22 HB3 TYR 22 -3.929 25.166 -11.609 193 HD1 TYR 22 HD1 TYR 22 -2.183 28.056 -10.009 194 HD2 TYR 22 HD2 TYR 22 -1.998 24.899 -12.855 195 HE1 TYR 22 HE1 TYR 22 0.008 28.876 -10.767 196 HE2 TYR 22 HE2 TYR 22 0.195 25.709 -13.620 197 HH TYR 22 HH TYR 22 1.408 28.032 -13.596 198 H GLN 23 H GLN 23 -6.325 28.688 -11.712 199 HA GLN 23 HA GLN 23 -7.413 26.854 -13.723 200 HB2 GLN 23 HB2 GLN 23 -8.765 27.652 -11.348 201 HB3 GLN 23 HB3 GLN 23 -9.558 28.434 -12.709 202 HG2 GLN 23 HG2 GLN 23 -9.356 25.972 -13.709 203 HG3 GLN 23 HG3 GLN 23 -9.393 25.573 -11.992 204 HE21 GLN 23 HE21 GLN 23 -11.068 27.650 -14.332 205 HE22 GLN 23 HE22 GLN 23 -12.653 27.369 -13.705 206 H LYS 24 H LYS 24 -5.846 29.574 -13.293 207 HA LYS 24 HA LYS 24 -7.256 30.971 -15.470 208 HB2 LYS 24 HB2 LYS 24 -6.750 33.082 -14.522 209 HB3 LYS 24 HB3 LYS 24 -7.389 32.106 -13.206 210 HG2 LYS 24 HG2 LYS 24 -5.036 31.627 -12.523 211 HG3 LYS 24 HG3 LYS 24 -4.510 32.797 -13.736 212 HD2 LYS 24 HD2 LYS 24 -6.373 34.248 -12.416 213 HD3 LYS 24 HD3 LYS 24 -5.773 33.224 -11.110 214 HE2 LYS 24 HE2 LYS 24 -3.563 34.008 -11.382 215 HE3 LYS 24 HE3 LYS 24 -3.937 34.750 -12.937 216 HZ1 LYS 24 HZ1 LYS 24 -5.335 36.352 -11.806 217 HZ2 LYS 24 HZ2 LYS 24 -3.768 36.396 -11.172 218 HZ3 LYS 24 HZ3 LYS 24 -5.008 35.632 -10.311 219 H PHE 25 H PHE 25 -4.245 29.917 -14.085 220 HA PHE 25 HA PHE 25 -2.361 31.291 -15.533 221 HB2 PHE 25 HB2 PHE 25 -0.864 29.471 -15.144 222 HB3 PHE 25 HB3 PHE 25 -1.949 29.541 -13.759 223 HD1 PHE 25 HD1 PHE 25 -4.071 28.011 -13.932 224 HD2 PHE 25 HD2 PHE 25 -0.491 27.446 -16.163 225 HE1 PHE 25 HE1 PHE 25 -4.660 25.647 -14.272 226 HE2 PHE 25 HE2 PHE 25 -1.075 25.081 -16.508 227 HZ PHE 25 HZ PHE 25 -3.162 24.178 -15.562 228 H ALA 26 H ALA 26 -4.430 28.664 -16.596 229 HA ALA 26 HA ALA 26 -4.325 29.349 -19.297 230 HB1 ALA 26 HB1 ALA 26 -2.265 27.380 -18.423 231 HB2 ALA 26 HB2 ALA 26 -3.030 27.185 -20.001 232 HB3 ALA 26 HB3 ALA 26 -2.157 28.669 -19.622 233 H LEU 27 H LEU 27 -4.712 26.806 -16.909 234 HA LEU 27 HA LEU 27 -6.185 25.079 -16.712 235 HB2 LEU 27 HB2 LEU 27 -7.602 27.300 -16.910 236 HB3 LEU 27 HB3 LEU 27 -8.147 26.541 -18.404 237 HG LEU 27 HG LEU 27 -8.490 25.510 -15.593 238 HD11 LEU 27 HD11 LEU 27 -10.161 27.075 -15.981 239 HD12 LEU 27 HD12 LEU 27 -10.923 25.551 -16.434 240 HD13 LEU 27 HD13 LEU 27 -10.314 26.637 -17.683 241 HD21 LEU 27 HD21 LEU 27 -9.756 23.656 -16.726 242 HD22 LEU 27 HD22 LEU 27 -8.003 23.596 -16.909 243 HD23 LEU 27 HD23 LEU 27 -9.010 24.171 -18.239 244 HA PRO 28 HA PRO 28 -5.274 23.613 -21.051 245 HB2 PRO 28 HB2 PRO 28 -3.683 21.548 -20.292 246 HB3 PRO 28 HB3 PRO 28 -3.069 23.182 -20.570 247 HG2 PRO 28 HG2 PRO 28 -3.760 21.832 -17.989 248 HG3 PRO 28 HG3 PRO 28 -2.362 22.851 -18.380 249 HD2 PRO 28 HD2 PRO 28 -4.513 23.787 -17.028 250 HD3 PRO 28 HD3 PRO 28 -3.554 24.806 -18.120 251 H GLN 29 H GLN 29 -7.628 23.118 -20.713 252 HA GLN 29 HA GLN 29 -7.975 20.238 -20.206 253 HB2 GLN 29 HB2 GLN 29 -10.047 20.593 -19.140 254 HB3 GLN 29 HB3 GLN 29 -8.962 21.785 -18.437 255 HG2 GLN 29 HG2 GLN 29 -9.884 23.474 -19.992 256 HG3 GLN 29 HG3 GLN 29 -11.038 22.269 -20.560 257 HE21 GLN 29 HE21 GLN 29 -11.509 24.830 -19.253 258 HE22 GLN 29 HE22 GLN 29 -12.425 24.481 -17.830 259 H TYR 30 H TYR 30 -7.569 21.994 -22.658 260 HA TYR 30 HA TYR 30 -10.061 21.419 -24.092 261 HB2 TYR 30 HB2 TYR 30 -7.780 22.881 -25.353 262 HB3 TYR 30 HB3 TYR 30 -9.511 23.084 -25.597 263 HD1 TYR 30 HD1 TYR 30 -10.690 23.719 -23.151 264 HD2 TYR 30 HD2 TYR 30 -6.777 24.749 -24.466 265 HE1 TYR 30 HE1 TYR 30 -10.686 25.639 -21.614 266 HE2 TYR 30 HE2 TYR 30 -6.761 26.671 -22.932 267 HH TYR 30 HH TYR 30 -7.836 27.728 -21.293 268 H LEU 31 H LEU 31 -6.545 20.998 -24.425 269 HA LEU 31 HA LEU 31 -7.083 18.666 -26.143 270 HB2 LEU 31 HB2 LEU 31 -4.629 19.295 -26.938 271 HB3 LEU 31 HB3 LEU 31 -6.074 19.966 -27.692 272 HG LEU 31 HG LEU 31 -4.971 21.526 -25.447 273 HD11 LEU 31 HD11 LEU 31 -3.197 22.506 -26.820 274 HD12 LEU 31 HD12 LEU 31 -3.504 21.304 -28.072 275 HD13 LEU 31 HD13 LEU 31 -2.902 20.798 -26.493 276 HD21 LEU 31 HD21 LEU 31 -5.509 22.606 -28.158 277 HD22 LEU 31 HD22 LEU 31 -5.877 23.285 -26.572 278 HD23 LEU 31 HD23 LEU 31 -6.879 21.991 -27.232 279 H LYS 32 H LYS 32 -5.532 16.938 -26.021 280 HA LYS 32 HA LYS 32 -4.345 15.391 -24.846 281 HB2 LYS 32 HB2 LYS 32 -2.924 17.931 -24.558 282 HB3 LYS 32 HB3 LYS 32 -2.579 16.799 -23.256 283 HG2 LYS 32 HG2 LYS 32 -2.400 16.012 -26.147 284 HG3 LYS 32 HG3 LYS 32 -1.049 16.742 -25.277 285 HD2 LYS 32 HD2 LYS 32 -0.725 14.900 -23.958 286 HD3 LYS 32 HD3 LYS 32 -2.419 14.411 -24.037 287 HE2 LYS 32 HE2 LYS 32 -2.033 13.808 -26.440 288 HE3 LYS 32 HE3 LYS 32 -0.316 14.099 -26.172 289 HZ1 LYS 32 HZ1 LYS 32 -1.315 11.721 -25.921 290 HZ2 LYS 32 HZ2 LYS 32 -1.736 12.265 -24.376 291 HZ3 LYS 32 HZ3 LYS 32 -0.114 12.258 -24.857 Start of MODEL 20 1 H1 THR 2 H THR 2 1.885 -0.641 1.862 2 HA THR 2 HA THR 2 2.274 -1.270 -0.378 3 HB THR 2 HB THR 2 0.668 0.730 -1.730 4 HG1 THR 2 HG1 THR 2 -0.870 -1.211 -0.367 5 HG21 THR 2 HG21 THR 2 0.129 -1.039 -3.135 6 HG22 THR 2 HG22 THR 2 0.236 -2.232 -1.840 7 HG23 THR 2 HG23 THR 2 1.705 -1.523 -2.511 8 H LYS 3 H LYS 3 3.241 -0.031 -2.279 9 HA LYS 3 HA LYS 3 4.555 2.393 -1.242 10 HB2 LYS 3 HB2 LYS 3 5.791 0.115 -1.944 11 HB3 LYS 3 HB3 LYS 3 5.749 0.902 -3.516 12 HG2 LYS 3 HG2 LYS 3 7.504 2.125 -2.962 13 HG3 LYS 3 HG3 LYS 3 6.614 2.809 -1.599 14 HD2 LYS 3 HD2 LYS 3 7.236 0.625 -0.379 15 HD3 LYS 3 HD3 LYS 3 8.434 0.424 -1.660 16 HE2 LYS 3 HE2 LYS 3 9.798 1.888 -0.691 17 HE3 LYS 3 HE3 LYS 3 8.523 3.103 -0.622 18 HZ1 LYS 3 HZ1 LYS 3 7.780 1.513 1.367 19 HZ2 LYS 3 HZ2 LYS 3 8.814 2.835 1.579 20 HZ3 LYS 3 HZ3 LYS 3 9.454 1.275 1.435 21 H LEU 4 H LEU 4 2.626 1.077 -3.769 22 HA LEU 4 HA LEU 4 3.048 3.424 -5.469 23 HB2 LEU 4 HB2 LEU 4 1.693 2.187 -7.123 24 HB3 LEU 4 HB3 LEU 4 3.150 1.329 -6.625 25 HG LEU 4 HG LEU 4 1.250 0.311 -4.926 26 HD11 LEU 4 HD11 LEU 4 -0.647 -0.314 -6.334 27 HD12 LEU 4 HD12 LEU 4 -0.017 0.695 -7.634 28 HD13 LEU 4 HD13 LEU 4 -0.547 1.434 -6.123 29 HD21 LEU 4 HD21 LEU 4 1.555 -1.704 -6.104 30 HD22 LEU 4 HD22 LEU 4 3.057 -0.804 -6.318 31 HD23 LEU 4 HD23 LEU 4 1.871 -0.864 -7.622 32 H THR 5 H THR 5 0.504 1.687 -3.733 33 HA THR 5 HA THR 5 -1.712 3.153 -4.494 34 HB THR 5 HB THR 5 -1.374 2.305 -1.633 35 HG1 THR 5 HG1 THR 5 -1.773 0.175 -2.276 36 HG21 THR 5 HG21 THR 5 -3.700 2.040 -3.539 37 HG22 THR 5 HG22 THR 5 -3.477 3.389 -2.425 38 HG23 THR 5 HG23 THR 5 -3.711 1.758 -1.799 39 H GLU 6 H GLU 6 0.528 3.816 -1.809 40 HA GLU 6 HA GLU 6 -0.730 6.109 -0.831 41 HB2 GLU 6 HB2 GLU 6 2.078 5.074 -0.734 42 HB3 GLU 6 HB3 GLU 6 1.735 6.693 -0.140 43 HG2 GLU 6 HG2 GLU 6 0.228 4.281 0.814 44 HG3 GLU 6 HG3 GLU 6 1.732 4.818 1.559 45 H GLU 7 H GLU 7 2.195 6.025 -2.878 46 HA GLU 7 HA GLU 7 2.343 8.707 -3.474 47 HB2 GLU 7 HB2 GLU 7 3.142 6.258 -5.016 48 HB3 GLU 7 HB3 GLU 7 3.374 7.860 -5.702 49 HG2 GLU 7 HG2 GLU 7 4.415 8.018 -3.123 50 HG3 GLU 7 HG3 GLU 7 4.945 6.456 -3.745 51 H GLU 8 H GLU 8 0.750 6.211 -5.464 52 HA GLU 8 HA GLU 8 -0.298 7.878 -7.413 53 HB2 GLU 8 HB2 GLU 8 -1.287 5.269 -6.279 54 HB3 GLU 8 HB3 GLU 8 -2.109 6.076 -7.606 55 HG2 GLU 8 HG2 GLU 8 0.029 6.010 -8.880 56 HG3 GLU 8 HG3 GLU 8 0.711 5.034 -7.580 57 H LYS 9 H LYS 9 -1.645 6.987 -4.268 58 HA LYS 9 HA LYS 9 -4.126 8.319 -4.624 59 HB2 LYS 9 HB2 LYS 9 -4.005 6.617 -2.960 60 HB3 LYS 9 HB3 LYS 9 -2.635 7.389 -2.172 61 HG2 LYS 9 HG2 LYS 9 -5.075 9.020 -2.337 62 HG3 LYS 9 HG3 LYS 9 -5.182 7.582 -1.319 63 HD2 LYS 9 HD2 LYS 9 -3.640 8.360 0.179 64 HD3 LYS 9 HD3 LYS 9 -2.782 9.313 -1.035 65 HE2 LYS 9 HE2 LYS 9 -4.455 11.009 -0.995 66 HE3 LYS 9 HE3 LYS 9 -5.531 10.009 -0.019 67 HZ1 LYS 9 HZ1 LYS 9 -4.139 10.245 1.848 68 HZ2 LYS 9 HZ2 LYS 9 -4.292 11.799 1.199 69 HZ3 LYS 9 HZ3 LYS 9 -2.877 10.910 0.939 70 H ASN 10 H ASN 10 -0.963 9.417 -3.910 71 HA ASN 10 HA ASN 10 -1.832 11.881 -2.654 72 HB2 ASN 10 HB2 ASN 10 0.935 11.076 -3.580 73 HB3 ASN 10 HB3 ASN 10 0.537 12.423 -2.517 74 HD21 ASN 10 HD21 ASN 10 2.250 10.077 -2.096 75 HD22 ASN 10 HD22 ASN 10 1.641 9.304 -0.676 76 H ARG 11 H ARG 11 -0.228 10.926 -5.683 77 HA ARG 11 HA ARG 11 -0.059 13.468 -6.827 78 HB2 ARG 11 HB2 ARG 11 0.934 11.183 -7.592 79 HB3 ARG 11 HB3 ARG 11 -0.568 11.028 -8.494 80 HG2 ARG 11 HG2 ARG 11 0.225 13.536 -9.186 81 HG3 ARG 11 HG3 ARG 11 1.771 12.707 -9.002 82 HD2 ARG 11 HD2 ARG 11 0.243 10.881 -10.382 83 HD3 ARG 11 HD3 ARG 11 -0.276 12.425 -11.058 84 HE ARG 11 HE ARG 11 2.540 12.330 -10.935 85 HH11 ARG 11 HH11 ARG 11 0.758 10.727 -14.141 86 HH12 ARG 11 HH12 ARG 11 -0.149 10.983 -12.688 87 HH21 ARG 11 HH21 ARG 11 2.974 11.303 -14.228 88 HH22 ARG 11 HH22 ARG 11 3.746 11.998 -12.843 89 H LEU 12 H LEU 12 -2.774 11.450 -6.298 90 HA LEU 12 HA LEU 12 -4.412 12.654 -8.357 91 HB2 LEU 12 HB2 LEU 12 -4.702 10.497 -6.365 92 HB3 LEU 12 HB3 LEU 12 -6.179 11.362 -6.785 93 HG LEU 12 HG LEU 12 -6.015 10.697 -9.065 94 HD11 LEU 12 HD11 LEU 12 -3.214 10.164 -8.344 95 HD12 LEU 12 HD12 LEU 12 -3.915 10.708 -9.868 96 HD13 LEU 12 HD13 LEU 12 -3.953 8.997 -9.442 97 HD21 LEU 12 HD21 LEU 12 -6.885 9.031 -7.446 98 HD22 LEU 12 HD22 LEU 12 -5.277 8.310 -7.377 99 HD23 LEU 12 HD23 LEU 12 -6.182 8.305 -8.891 100 H ASN 13 H ASN 13 -4.329 12.657 -4.798 101 HA ASN 13 HA ASN 13 -6.407 14.562 -4.501 102 HB2 ASN 13 HB2 ASN 13 -4.255 13.533 -2.664 103 HB3 ASN 13 HB3 ASN 13 -5.358 14.810 -2.158 104 HD21 ASN 13 HD21 ASN 13 -5.943 11.954 -4.156 105 HD22 ASN 13 HD22 ASN 13 -7.137 11.258 -3.120 106 H PHE 14 H PHE 14 -2.896 14.810 -4.694 107 HA PHE 14 HA PHE 14 -2.704 17.545 -4.020 108 HB2 PHE 14 HB2 PHE 14 -0.732 16.183 -3.918 109 HB3 PHE 14 HB3 PHE 14 -0.884 15.737 -5.614 110 HD1 PHE 14 HD1 PHE 14 -0.527 18.776 -3.484 111 HD2 PHE 14 HD2 PHE 14 0.422 16.835 -7.151 112 HE1 PHE 14 HE1 PHE 14 0.924 20.664 -4.104 113 HE2 PHE 14 HE2 PHE 14 1.875 18.718 -7.777 114 HZ PHE 14 HZ PHE 14 2.129 20.636 -6.253 115 H LEU 15 H LEU 15 -3.150 15.861 -7.085 116 HA LEU 15 HA LEU 15 -2.852 18.134 -8.748 117 HB2 LEU 15 HB2 LEU 15 -3.584 15.349 -9.036 118 HB3 LEU 15 HB3 LEU 15 -4.569 16.387 -10.065 119 HG LEU 15 HG LEU 15 -1.559 16.176 -10.078 120 HD11 LEU 15 HD11 LEU 15 -2.348 14.294 -11.186 121 HD12 LEU 15 HD12 LEU 15 -2.119 15.461 -12.488 122 HD13 LEU 15 HD13 LEU 15 -3.737 15.149 -11.858 123 HD21 LEU 15 HD21 LEU 15 -1.559 18.218 -10.953 124 HD22 LEU 15 HD22 LEU 15 -3.322 18.274 -10.979 125 HD23 LEU 15 HD23 LEU 15 -2.442 17.560 -12.331 126 H LYS 16 H LYS 16 -5.707 16.505 -7.404 127 HA LYS 16 HA LYS 16 -7.570 18.331 -8.556 128 HB2 LYS 16 HB2 LYS 16 -8.015 16.556 -6.154 129 HB3 LYS 16 HB3 LYS 16 -9.234 17.207 -7.242 130 HG2 LYS 16 HG2 LYS 16 -7.374 15.725 -8.790 131 HG3 LYS 16 HG3 LYS 16 -7.852 14.742 -7.404 132 HD2 LYS 16 HD2 LYS 16 -9.403 14.273 -9.138 133 HD3 LYS 16 HD3 LYS 16 -10.243 15.305 -7.978 134 HE2 LYS 16 HE2 LYS 16 -10.381 17.043 -9.423 135 HE3 LYS 16 HE3 LYS 16 -8.827 16.682 -10.174 136 HZ1 LYS 16 HZ1 LYS 16 -10.978 14.775 -10.640 137 HZ2 LYS 16 HZ2 LYS 16 -9.772 15.324 -11.691 138 HZ3 LYS 16 HZ3 LYS 16 -11.134 16.282 -11.393 139 H LYS 17 H LYS 17 -5.602 18.355 -5.730 140 HA LYS 17 HA LYS 17 -7.175 20.285 -4.287 141 HB2 LYS 17 HB2 LYS 17 -4.539 18.942 -3.890 142 HB3 LYS 17 HB3 LYS 17 -4.856 20.431 -3.008 143 HG2 LYS 17 HG2 LYS 17 -6.819 19.450 -1.991 144 HG3 LYS 17 HG3 LYS 17 -6.598 17.975 -2.934 145 HD2 LYS 17 HD2 LYS 17 -4.364 17.709 -1.838 146 HD3 LYS 17 HD3 LYS 17 -4.778 19.070 -0.793 147 HE2 LYS 17 HE2 LYS 17 -6.874 17.062 -0.877 148 HE3 LYS 17 HE3 LYS 17 -5.337 16.398 -0.325 149 HZ1 LYS 17 HZ1 LYS 17 -5.575 17.404 1.620 150 HZ2 LYS 17 HZ2 LYS 17 -7.143 17.844 1.164 151 HZ3 LYS 17 HZ3 LYS 17 -5.855 18.907 0.897 152 H ILE 18 H ILE 18 -4.462 20.333 -6.498 153 HA ILE 18 HA ILE 18 -4.085 23.202 -6.110 154 HB ILE 18 HB ILE 18 -2.142 23.016 -7.509 155 HG12 ILE 18 HG12 ILE 18 -3.045 20.174 -8.022 156 HG13 ILE 18 HG13 ILE 18 -3.007 21.485 -9.196 157 HG21 ILE 18 HG21 ILE 18 -2.496 21.593 -5.107 158 HG22 ILE 18 HG22 ILE 18 -1.487 20.589 -6.148 159 HG23 ILE 18 HG23 ILE 18 -0.998 22.242 -5.773 160 HD11 ILE 18 HD11 ILE 18 -0.914 19.679 -8.372 161 HD12 ILE 18 HD12 ILE 18 -1.000 20.750 -9.772 162 HD13 ILE 18 HD13 ILE 18 -0.418 21.365 -8.225 163 H SER 19 H SER 19 -5.492 20.946 -8.337 164 HA SER 19 HA SER 19 -5.572 22.510 -10.657 165 HB2 SER 19 HB2 SER 19 -6.241 20.389 -11.169 166 HB3 SER 19 HB3 SER 19 -7.056 20.159 -9.622 167 HG SER 19 HG SER 19 -8.830 20.583 -10.642 168 H GLN 20 H GLN 20 -7.480 22.604 -7.749 169 HA GLN 20 HA GLN 20 -9.708 24.023 -8.694 170 HB2 GLN 20 HB2 GLN 20 -8.583 23.289 -6.124 171 HB3 GLN 20 HB3 GLN 20 -9.280 24.903 -6.079 172 HG2 GLN 20 HG2 GLN 20 -10.786 22.949 -5.466 173 HG3 GLN 20 HG3 GLN 20 -11.411 24.133 -6.613 174 HE21 GLN 20 HE21 GLN 20 -10.236 20.893 -6.184 175 HE22 GLN 20 HE22 GLN 20 -10.769 20.279 -7.708 176 H ARG 21 H ARG 21 -6.474 25.031 -7.958 177 HA ARG 21 HA ARG 21 -7.255 27.850 -8.273 178 HB2 ARG 21 HB2 ARG 21 -5.200 28.446 -7.169 179 HB3 ARG 21 HB3 ARG 21 -6.032 27.244 -6.191 180 HG2 ARG 21 HG2 ARG 21 -4.528 25.539 -6.834 181 HG3 ARG 21 HG3 ARG 21 -3.842 26.534 -8.120 182 HD2 ARG 21 HD2 ARG 21 -3.529 28.038 -5.793 183 HD3 ARG 21 HD3 ARG 21 -3.133 26.385 -5.323 184 HE ARG 21 HE ARG 21 -1.824 26.956 -7.728 185 HH11 ARG 21 HH11 ARG 21 -0.082 28.320 -4.391 186 HH12 ARG 21 HH12 ARG 21 -1.767 27.919 -4.383 187 HH21 ARG 21 HH21 ARG 21 1.147 28.072 -6.309 188 HH22 ARG 21 HH22 ARG 21 0.396 27.482 -7.752 189 H TYR 22 H TYR 22 -5.321 25.271 -9.586 190 HA TYR 22 HA TYR 22 -4.031 27.055 -11.500 191 HB2 TYR 22 HB2 TYR 22 -3.278 24.646 -10.263 192 HB3 TYR 22 HB3 TYR 22 -3.516 24.252 -11.962 193 HD1 TYR 22 HD1 TYR 22 -2.161 27.295 -10.267 194 HD2 TYR 22 HD2 TYR 22 -1.448 24.097 -12.981 195 HE1 TYR 22 HE1 TYR 22 0.049 28.239 -10.789 196 HE2 TYR 22 HE2 TYR 22 0.765 25.031 -13.510 197 HH TYR 22 HH TYR 22 2.087 27.742 -11.734 198 H GLN 23 H GLN 23 -6.155 27.580 -12.460 199 HA GLN 23 HA GLN 23 -6.781 25.667 -14.592 200 HB2 GLN 23 HB2 GLN 23 -8.497 26.268 -12.417 201 HB3 GLN 23 HB3 GLN 23 -9.178 27.041 -13.842 202 HG2 GLN 23 HG2 GLN 23 -8.630 24.639 -14.878 203 HG3 GLN 23 HG3 GLN 23 -8.876 24.179 -13.194 204 HE21 GLN 23 HE21 GLN 23 -10.374 26.286 -15.629 205 HE22 GLN 23 HE22 GLN 23 -12.001 25.830 -15.269 206 H LYS 24 H LYS 24 -5.588 28.545 -13.942 207 HA LYS 24 HA LYS 24 -6.791 29.791 -16.324 208 HB2 LYS 24 HB2 LYS 24 -6.719 31.936 -15.325 209 HB3 LYS 24 HB3 LYS 24 -7.434 30.873 -14.120 210 HG2 LYS 24 HG2 LYS 24 -5.290 30.729 -12.965 211 HG3 LYS 24 HG3 LYS 24 -4.564 31.785 -14.178 212 HD2 LYS 24 HD2 LYS 24 -6.805 33.176 -13.331 213 HD3 LYS 24 HD3 LYS 24 -6.169 32.452 -11.852 214 HE2 LYS 24 HE2 LYS 24 -4.127 33.552 -12.049 215 HE3 LYS 24 HE3 LYS 24 -4.352 33.866 -13.769 216 HZ1 LYS 24 HZ1 LYS 24 -5.286 35.371 -11.476 217 HZ2 LYS 24 HZ2 LYS 24 -6.414 35.199 -12.724 218 HZ3 LYS 24 HZ3 LYS 24 -4.907 35.899 -13.038 219 H PHE 25 H PHE 25 -3.948 29.064 -14.470 220 HA PHE 25 HA PHE 25 -2.017 30.678 -15.545 221 HB2 PHE 25 HB2 PHE 25 -0.413 28.985 -14.997 222 HB3 PHE 25 HB3 PHE 25 -1.693 28.904 -13.791 223 HD1 PHE 25 HD1 PHE 25 0.297 27.045 -16.003 224 HD2 PHE 25 HD2 PHE 25 -3.608 27.193 -14.316 225 HE1 PHE 25 HE1 PHE 25 -0.001 24.652 -16.491 226 HE2 PHE 25 HE2 PHE 25 -3.911 24.800 -14.800 227 HZ PHE 25 HZ PHE 25 -2.106 23.526 -15.888 228 H ALA 26 H ALA 26 -3.598 27.926 -17.036 229 HA ALA 26 HA ALA 26 -3.118 28.763 -19.654 230 HB1 ALA 26 HB1 ALA 26 -1.523 26.749 -20.196 231 HB2 ALA 26 HB2 ALA 26 -0.874 28.296 -19.650 232 HB3 ALA 26 HB3 ALA 26 -1.042 26.959 -18.512 233 H LEU 27 H LEU 27 -3.659 26.084 -17.456 234 HA LEU 27 HA LEU 27 -4.984 24.235 -17.565 235 HB2 LEU 27 HB2 LEU 27 -6.461 26.468 -18.457 236 HB3 LEU 27 HB3 LEU 27 -6.902 25.114 -19.496 237 HG LEU 27 HG LEU 27 -7.183 25.291 -16.500 238 HD11 LEU 27 HD11 LEU 27 -9.015 25.477 -18.823 239 HD12 LEU 27 HD12 LEU 27 -9.059 26.314 -17.272 240 HD13 LEU 27 HD13 LEU 27 -9.598 24.639 -17.385 241 HD21 LEU 27 HD21 LEU 27 -6.861 23.080 -16.499 242 HD22 LEU 27 HD22 LEU 27 -6.959 22.972 -18.257 243 HD23 LEU 27 HD23 LEU 27 -8.435 22.984 -17.290 244 HA PRO 28 HA PRO 28 -3.154 23.028 -21.695 245 HB2 PRO 28 HB2 PRO 28 -1.494 21.126 -20.696 246 HB3 PRO 28 HB3 PRO 28 -1.031 22.826 -20.841 247 HG2 PRO 28 HG2 PRO 28 -1.999 21.324 -18.439 248 HG3 PRO 28 HG3 PRO 28 -0.679 22.502 -18.565 249 HD2 PRO 28 HD2 PRO 28 -3.124 23.151 -17.599 250 HD3 PRO 28 HD3 PRO 28 -2.113 24.305 -18.493 251 H GLN 29 H GLN 29 -5.416 22.247 -21.869 252 HA GLN 29 HA GLN 29 -5.533 19.490 -22.298 253 HB2 GLN 29 HB2 GLN 29 -7.216 18.884 -20.538 254 HB3 GLN 29 HB3 GLN 29 -5.589 19.167 -19.932 255 HG2 GLN 29 HG2 GLN 29 -6.831 21.646 -19.785 256 HG3 GLN 29 HG3 GLN 29 -8.062 20.494 -19.271 257 HE21 GLN 29 HE21 GLN 29 -4.921 21.829 -18.599 258 HE22 GLN 29 HE22 GLN 29 -4.796 21.242 -16.979 259 H TYR 30 H TYR 30 -6.196 21.156 -24.078 260 HA TYR 30 HA TYR 30 -8.955 20.766 -24.578 261 HB2 TYR 30 HB2 TYR 30 -9.739 23.060 -24.549 262 HB3 TYR 30 HB3 TYR 30 -9.129 22.635 -22.954 263 HD1 TYR 30 HD1 TYR 30 -7.386 23.870 -21.956 264 HD2 TYR 30 HD2 TYR 30 -8.287 24.455 -26.073 265 HE1 TYR 30 HE1 TYR 30 -5.900 25.830 -21.997 266 HE2 TYR 30 HE2 TYR 30 -6.804 26.415 -26.125 267 HH TYR 30 HH TYR 30 -5.807 28.036 -23.548 268 H LEU 31 H LEU 31 -9.633 22.128 -26.582 269 HA LEU 31 HA LEU 31 -7.311 22.403 -28.373 270 HB2 LEU 31 HB2 LEU 31 -8.962 21.631 -30.180 271 HB3 LEU 31 HB3 LEU 31 -8.258 20.422 -29.108 272 HG LEU 31 HG LEU 31 -10.709 20.150 -29.636 273 HD11 LEU 31 HD11 LEU 31 -9.279 19.578 -27.381 274 HD12 LEU 31 HD12 LEU 31 -10.911 19.007 -27.726 275 HD13 LEU 31 HD13 LEU 31 -10.672 20.442 -26.730 276 HD21 LEU 31 HD21 LEU 31 -11.098 22.675 -29.372 277 HD22 LEU 31 HD22 LEU 31 -11.149 22.344 -27.640 278 HD23 LEU 31 HD23 LEU 31 -12.312 21.573 -28.720 279 H LYS 32 H LYS 32 -7.922 23.640 -30.416 280 HA LYS 32 HA LYS 32 -10.094 25.493 -30.269 281 HB2 LYS 32 HB2 LYS 32 -8.188 26.316 -28.657 282 HB3 LYS 32 HB3 LYS 32 -7.418 26.830 -30.152 283 HG2 LYS 32 HG2 LYS 32 -8.967 28.457 -30.556 284 HG3 LYS 32 HG3 LYS 32 -10.247 27.611 -29.684 285 HD2 LYS 32 HD2 LYS 32 -9.828 29.226 -28.146 286 HD3 LYS 32 HD3 LYS 32 -8.582 28.081 -27.644 287 HE2 LYS 32 HE2 LYS 32 -6.975 29.536 -28.134 288 HE3 LYS 32 HE3 LYS 32 -7.600 29.743 -29.770 289 HZ1 LYS 32 HZ1 LYS 32 -9.155 31.389 -28.928 290 HZ2 LYS 32 HZ2 LYS 32 -7.564 31.836 -28.570 291 HZ3 LYS 32 HZ3 LYS 32 -8.554 31.192 -27.358
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