NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
588151 | 2mg2 | 19582 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 1H LYS 1 -14.053 6.639 -12.652 2 H2 LYS 1 2H LYS 1 -15.656 6.889 -12.486 3 H3 LYS 1 3H LYS 1 -15.122 5.754 -13.524 4 HA LYS 1 HA LYS 1 -15.884 7.724 -14.705 5 HB2 LYS 1 1HB LYS 1 -13.617 9.109 -13.211 6 HB3 LYS 1 2HB LYS 1 -14.472 9.786 -14.590 7 HG2 LYS 1 1HG LYS 1 -15.764 9.089 -11.917 8 HG3 LYS 1 2HG LYS 1 -15.190 10.680 -12.413 9 HD2 LYS 1 1HD LYS 1 -16.785 10.510 -14.418 10 HD3 LYS 1 2HD LYS 1 -17.528 9.128 -13.602 11 HE2 LYS 1 1HE LYS 1 -17.217 11.953 -12.470 12 HE3 LYS 1 2HE LYS 1 -18.691 11.307 -13.189 13 HZ1 LYS 1 3HZ LYS 1 -17.407 10.248 -10.725 14 HZ2 LYS 1 1HZ LYS 1 -18.777 9.656 -11.401 15 HZ3 LYS 1 2HZ LYS 1 -18.754 11.160 -10.774 16 H LYS 2 H LYS 2 -12.346 8.050 -14.425 17 HA LYS 2 HA LYS 2 -12.034 6.799 -17.128 18 HB2 LYS 2 1HB LYS 2 -11.674 9.434 -16.485 19 HB3 LYS 2 2HB LYS 2 -10.072 8.823 -16.103 20 HG2 LYS 2 1HG LYS 2 -9.919 9.495 -18.361 21 HG3 LYS 2 2HG LYS 2 -10.123 7.742 -18.472 22 HD2 LYS 2 1HD LYS 2 -12.637 8.180 -18.758 23 HD3 LYS 2 2HD LYS 2 -12.247 9.899 -18.904 24 HE2 LYS 2 1HE LYS 2 -11.243 9.655 -20.973 25 HE3 LYS 2 2HE LYS 2 -10.663 8.025 -20.622 26 HZ1 LYS 2 3HZ LYS 2 -12.433 7.949 -22.258 27 HZ2 LYS 2 1HZ LYS 2 -13.481 8.709 -21.262 28 HZ3 LYS 2 2HZ LYS 2 -12.940 7.210 -20.899 29 H LYS 3 H LYS 3 -11.648 5.728 -14.270 30 HA LYS 3 HA LYS 3 -8.799 4.930 -14.161 31 HB2 LYS 3 1HB LYS 3 -11.154 4.324 -12.320 32 HB3 LYS 3 2HB LYS 3 -9.475 3.919 -11.985 33 HG2 LYS 3 1HG LYS 3 -10.543 6.758 -12.334 34 HG3 LYS 3 2HG LYS 3 -10.290 5.938 -10.806 35 HD2 LYS 3 1HD LYS 3 -7.782 5.659 -11.982 36 HD3 LYS 3 2HD LYS 3 -8.331 7.183 -12.680 37 HE2 LYS 3 1HE LYS 3 -7.112 7.697 -10.674 38 HE3 LYS 3 2HE LYS 3 -8.820 8.027 -10.360 39 HZ1 LYS 3 3HZ LYS 3 -8.948 5.854 -9.233 40 HZ2 LYS 3 1HZ LYS 3 -7.817 6.793 -8.533 41 HZ3 LYS 3 2HZ LYS 3 -7.366 5.566 -9.529 42 H ASN 4 H ASN 4 -8.226 2.682 -13.809 43 HA ASN 4 HA ASN 4 -10.050 0.538 -14.707 44 HB2 ASN 4 1HB ASN 4 -7.443 1.304 -16.105 45 HB3 ASN 4 2HB ASN 4 -8.080 -0.335 -16.177 46 HD21 ASN 4 2HD2 ASN 4 -8.130 2.596 -17.838 47 HD22 ASN 4 1HD2 ASN 4 -9.591 2.255 -18.755 48 H TRP 5 H TRP 5 -9.056 -1.631 -14.312 49 HA TRP 5 HA TRP 5 -8.087 -2.016 -11.701 50 HB2 TRP 5 1HB TRP 5 -7.714 -4.296 -12.341 51 HB3 TRP 5 2HB TRP 5 -9.199 -3.724 -13.081 52 HD1 TRP 5 HD1 TRP 5 -9.309 -3.669 -15.718 53 HE1 TRP 5 HE1 TRP 5 -7.781 -4.530 -17.603 54 HE3 TRP 5 HE3 TRP 5 -5.136 -4.792 -12.953 55 HZ2 TRP 5 HZ2 TRP 5 -5.086 -5.496 -17.887 56 HZ3 TRP 5 HZ3 TRP 5 -3.092 -5.666 -14.066 57 HH2 TRP 5 HH2 TRP 5 -3.052 -6.016 -16.525 58 H PHE 6 H PHE 6 -6.238 -1.485 -14.649 59 HA PHE 6 HA PHE 6 -3.639 -2.125 -13.706 60 HB2 PHE 6 1HB PHE 6 -4.383 -1.774 -16.081 61 HB3 PHE 6 2HB PHE 6 -4.407 -0.039 -15.779 62 HD1 PHE 6 HD2 PHE 6 -2.224 -3.077 -15.845 63 HD2 PHE 6 HD1 PHE 6 -2.346 1.236 -15.867 64 HE1 PHE 6 HE2 PHE 6 0.213 -3.008 -16.331 65 HE2 PHE 6 HE1 PHE 6 0.089 1.300 -16.353 66 HZ PHE 6 HZ PHE 6 1.373 -0.820 -16.580 67 H ASP 7 H ASP 7 -5.611 0.680 -12.980 68 HA ASP 7 HA ASP 7 -3.317 2.140 -11.738 69 HB2 ASP 7 1HB ASP 7 -6.112 2.902 -12.587 70 HB3 ASP 7 2HB ASP 7 -5.343 3.789 -11.282 71 H ILE 8 H ILE 8 -6.092 0.172 -10.842 72 HA ILE 8 HA ILE 8 -6.258 0.932 -8.075 73 HB ILE 8 HB ILE 8 -6.873 -1.758 -9.349 74 HG12 ILE 8 1HG1 ILE 8 -8.239 -0.123 -10.445 75 HG13 ILE 8 2HG1 ILE 8 -9.240 -1.011 -9.324 76 HG21 ILE 8 1HG2 ILE 8 -7.659 -0.630 -6.637 77 HG22 ILE 8 2HG2 ILE 8 -8.445 -2.031 -7.397 78 HG23 ILE 8 3HG2 ILE 8 -6.736 -2.107 -6.982 79 HD11 ILE 8 3HD1 ILE 8 -8.221 1.843 -9.051 80 HD12 ILE 8 1HD1 ILE 8 -9.893 1.280 -9.204 81 HD13 ILE 8 2HD1 ILE 8 -8.998 0.969 -7.707 82 H THR 9 H THR 9 -3.963 -1.147 -9.730 83 HA THR 9 HA THR 9 -2.798 -2.449 -7.499 84 HB THR 9 HB THR 9 -2.393 -2.880 -9.948 85 HG1 THR 9 HG1 THR 9 -0.360 -3.702 -9.515 86 HG21 THR 9 3HG2 THR 9 -1.603 -0.519 -10.502 87 HG22 THR 9 1HG2 THR 9 -0.578 -1.839 -11.091 88 HG23 THR 9 2HG2 THR 9 -0.092 -0.908 -9.659 89 H ASN 10 H ASN 10 -2.344 0.915 -8.535 90 HA ASN 10 HA ASN 10 -0.041 1.523 -6.898 91 HB2 ASN 10 1HB ASN 10 -0.628 2.934 -8.772 92 HB3 ASN 10 2HB ASN 10 -2.262 3.188 -8.164 93 HD21 ASN 10 2HD2 ASN 10 -2.660 4.712 -6.545 94 HD22 ASN 10 1HD2 ASN 10 -1.395 5.815 -6.011 95 H TRP 11 H TRP 11 -3.566 1.683 -6.343 96 HA TRP 11 HA TRP 11 -3.442 2.856 -3.703 97 HB2 TRP 11 1HB TRP 11 -5.588 1.256 -5.143 98 HB3 TRP 11 2HB TRP 11 -5.769 1.875 -3.511 99 HD1 TRP 11 HD1 TRP 11 -5.246 3.182 -7.100 100 HE1 TRP 11 HE1 TRP 11 -5.989 5.643 -7.207 101 HE3 TRP 11 HE3 TRP 11 -6.373 3.934 -2.155 102 HZ2 TRP 11 HZ2 TRP 11 -7.155 7.602 -5.438 103 HZ3 TRP 11 HZ3 TRP 11 -7.308 6.111 -1.395 104 HH2 TRP 11 HH2 TRP 11 -7.714 7.940 -3.025 105 H LEU 12 H LEU 12 -3.596 -0.530 -4.831 106 HA LEU 12 HA LEU 12 -3.591 -1.812 -2.308 107 HB2 LEU 12 1HB LEU 12 -3.066 -2.533 -5.100 108 HB3 LEU 12 2HB LEU 12 -1.927 -3.348 -4.057 109 HG LEU 12 HG LEU 12 -3.922 -4.679 -4.542 110 HD11 LEU 12 1HD1 LEU 12 -2.690 -5.124 -2.483 111 HD12 LEU 12 2HD1 LEU 12 -4.422 -5.418 -2.254 112 HD13 LEU 12 3HD1 LEU 12 -3.680 -3.946 -1.596 113 HD21 LEU 12 3HD2 LEU 12 -5.530 -2.724 -2.857 114 HD22 LEU 12 1HD2 LEU 12 -6.101 -4.185 -3.681 115 HD23 LEU 12 2HD2 LEU 12 -5.564 -2.789 -4.633 116 H TRP 13 H TRP 13 -0.794 -0.682 -4.194 117 HA TRP 13 HA TRP 13 1.250 -1.440 -2.391 118 HB2 TRP 13 1HB TRP 13 1.102 -0.110 -4.846 119 HB3 TRP 13 2HB TRP 13 1.769 1.103 -3.775 120 HD1 TRP 13 HD1 TRP 13 2.381 -2.569 -4.787 121 HE1 TRP 13 HE1 TRP 13 4.912 -3.064 -4.766 122 HE3 TRP 13 HE3 TRP 13 4.086 1.947 -3.079 123 HZ2 TRP 13 HZ2 TRP 13 7.340 -1.696 -4.068 124 HZ3 TRP 13 HZ3 TRP 13 6.527 2.327 -2.746 125 HH2 TRP 13 HH2 TRP 13 8.156 0.516 -3.231 126 H TYR 14 H TYR 14 -0.840 1.429 -2.271 127 HA TYR 14 HA TYR 14 0.566 2.907 -0.297 128 HB2 TYR 14 1HB TYR 14 -1.527 3.487 -1.785 129 HB3 TYR 14 2HB TYR 14 -2.450 2.893 -0.414 130 HD1 TYR 14 HD2 TYR 14 -2.136 4.030 1.873 131 HD2 TYR 14 HD1 TYR 14 -0.495 5.623 -1.791 132 HE1 TYR 14 HE2 TYR 14 -1.840 6.246 2.966 133 HE2 TYR 14 HE1 TYR 14 -0.210 7.844 -0.691 134 HH TYR 14 HH TYR 14 -1.106 8.403 2.731 135 H ILE 15 H ILE 15 -1.941 0.380 0.118 136 HA ILE 15 HA ILE 15 -1.752 0.428 3.044 137 HB ILE 15 HB ILE 15 -2.971 -1.752 1.315 138 HG12 ILE 15 1HG1 ILE 15 -5.047 -0.183 2.482 139 HG13 ILE 15 2HG1 ILE 15 -3.908 1.002 1.883 140 HG21 ILE 15 1HG2 ILE 15 -4.307 -2.229 3.351 141 HG22 ILE 15 2HG2 ILE 15 -2.583 -2.471 3.627 142 HG23 ILE 15 3HG2 ILE 15 -3.378 -1.004 4.242 143 HD11 ILE 15 3HD1 ILE 15 -3.959 -0.428 -0.325 144 HD12 ILE 15 1HD1 ILE 15 -5.433 -1.125 0.357 145 HD13 ILE 15 2HD1 ILE 15 -5.340 0.625 0.053 146 H LYS 16 H LYS 16 -0.315 -1.561 0.455 147 HA LYS 16 HA LYS 16 1.018 -3.477 2.062 148 HB2 LYS 16 1HB LYS 16 0.771 -3.115 -0.579 149 HB3 LYS 16 2HB LYS 16 2.378 -2.422 -0.423 150 HG2 LYS 16 1HG LYS 16 1.506 -5.216 0.460 151 HG3 LYS 16 2HG LYS 16 2.280 -4.829 -1.067 152 HD2 LYS 16 1HD LYS 16 4.272 -5.213 -0.139 153 HD3 LYS 16 2HD LYS 16 4.060 -3.757 0.813 154 HE2 LYS 16 1HE LYS 16 4.580 -5.447 2.385 155 HE3 LYS 16 2HE LYS 16 2.846 -5.179 2.552 156 HZ1 LYS 16 3HZ LYS 16 2.500 -7.178 1.145 157 HZ2 LYS 16 1HZ LYS 16 3.387 -7.562 2.459 158 HZ3 LYS 16 2HZ LYS 16 4.111 -7.399 1.011 159 H LEU 17 H LEU 17 2.134 -0.234 1.149 160 HA LEU 17 HA LEU 17 4.680 -0.259 2.417 161 HB2 LEU 17 1HB LEU 17 2.682 1.966 1.884 162 HB3 LEU 17 2HB LEU 17 4.241 2.292 2.628 163 HG LEU 17 HG LEU 17 4.056 0.839 -0.032 164 HD11 LEU 17 1HD1 LEU 17 4.193 3.839 0.505 165 HD12 LEU 17 2HD1 LEU 17 2.895 2.958 -0.328 166 HD13 LEU 17 3HD1 LEU 17 4.499 3.080 -1.070 167 HD21 LEU 17 3HD2 LEU 17 6.232 0.989 1.472 168 HD22 LEU 17 1HD2 LEU 17 6.299 2.651 0.867 169 HD23 LEU 17 2HD2 LEU 17 6.317 1.285 -0.266 170 H PHE 18 H PHE 18 1.496 0.528 3.886 171 HA PHE 18 HA PHE 18 2.430 1.301 6.448 172 HB2 PHE 18 1HB PHE 18 0.100 1.532 5.608 173 HB3 PHE 18 2HB PHE 18 -0.122 -0.203 5.771 174 HD1 PHE 18 HD1 PHE 18 0.275 2.981 7.620 175 HD2 PHE 18 HD2 PHE 18 -0.446 -1.262 7.947 176 HE1 PHE 18 HE1 PHE 18 -0.496 3.287 9.962 177 HE2 PHE 18 HE2 PHE 18 -1.212 -0.949 10.287 178 HZ PHE 18 HZ PHE 18 -1.248 1.326 11.294 179 H ILE 19 H ILE 19 1.844 -1.978 5.174 180 HA ILE 19 HA ILE 19 2.362 -3.424 7.593 181 HB ILE 19 HB ILE 19 2.979 -4.396 4.780 182 HG12 ILE 19 1HG1 ILE 19 0.334 -4.540 6.303 183 HG13 ILE 19 2HG1 ILE 19 0.658 -3.547 4.884 184 HG21 ILE 19 1HG2 ILE 19 2.558 -6.647 5.788 185 HG22 ILE 19 2HG2 ILE 19 3.917 -5.830 6.537 186 HG23 ILE 19 3HG2 ILE 19 2.350 -5.877 7.373 187 HD11 ILE 19 3HD1 ILE 19 -0.398 -5.297 3.876 188 HD12 ILE 19 1HD1 ILE 19 1.278 -5.854 3.741 189 HD13 ILE 19 2HD1 ILE 19 0.228 -6.500 5.021 190 H MET 20 H MET 20 4.600 -2.232 5.063 191 HA MET 20 HA MET 20 6.971 -3.410 6.266 192 HB2 MET 20 1HB MET 20 6.889 -0.994 4.412 193 HB3 MET 20 2HB MET 20 8.256 -2.047 4.785 194 HG2 MET 20 1HG MET 20 6.688 -3.956 3.865 195 HG3 MET 20 2HG MET 20 5.828 -2.615 3.096 196 HE1 MET 20 3HE MET 20 7.858 -4.389 0.222 197 HE2 MET 20 1HE MET 20 6.757 -4.914 1.514 198 HE3 MET 20 2HE MET 20 6.345 -3.503 0.505 199 H ILE 21 H ILE 21 5.531 -0.142 6.419 200 HA ILE 21 HA ILE 21 7.520 1.067 8.078 201 HB ILE 21 HB ILE 21 4.556 1.689 7.768 202 HG12 ILE 21 1HG1 ILE 21 6.930 3.126 6.486 203 HG13 ILE 21 2HG1 ILE 21 6.055 1.843 5.681 204 HG21 ILE 21 1HG2 ILE 21 5.289 2.733 9.815 205 HG22 ILE 21 2HG2 ILE 21 6.791 3.319 9.052 206 HG23 ILE 21 3HG2 ILE 21 5.215 3.996 8.598 207 HD11 ILE 21 3HD1 ILE 21 5.157 4.631 6.250 208 HD12 ILE 21 1HD1 ILE 21 4.888 3.608 4.827 209 HD13 ILE 21 2HD1 ILE 21 3.916 3.360 6.287 210 H VAL 22 H VAL 22 4.319 -0.333 9.063 211 HA VAL 22 HA VAL 22 4.961 -0.136 11.886 212 HB VAL 22 HB VAL 22 2.836 -1.843 10.541 213 HG11 VAL 22 1HG1 VAL 22 1.706 -1.725 12.761 214 HG12 VAL 22 2HG1 VAL 22 3.220 -2.616 12.829 215 HG13 VAL 22 3HG1 VAL 22 3.153 -0.945 13.440 216 HG21 VAL 22 3HG2 VAL 22 2.274 0.413 10.000 217 HG22 VAL 22 1HG2 VAL 22 1.405 0.167 11.513 218 HG23 VAL 22 2HG2 VAL 22 2.939 1.049 11.516 219 H GLY 23 H GLY 23 5.353 -2.804 9.518 220 HA2 GLY 23 1HA GLY 23 5.989 -4.850 11.291 221 HA3 GLY 23 2HA GLY 23 6.649 -4.699 9.658 222 H GLY 24 H GLY 24 7.966 -2.094 10.436 223 HA2 GLY 24 1HA GLY 24 10.358 -3.148 11.910 224 HA3 GLY 24 2HA GLY 24 10.344 -1.785 10.796 225 H LEU 25 H LEU 25 7.859 -0.612 12.084 226 HA LEU 25 HA LEU 25 9.190 0.702 14.353 227 HB2 LEU 25 1HB LEU 25 6.550 1.234 12.964 228 HB3 LEU 25 2HB LEU 25 7.161 2.181 14.312 229 HG LEU 25 HG LEU 25 8.495 1.954 11.579 230 HD11 LEU 25 1HD1 LEU 25 7.814 4.273 11.326 231 HD12 LEU 25 2HD1 LEU 25 7.142 4.305 12.973 232 HD13 LEU 25 3HD1 LEU 25 6.384 3.305 11.724 233 HD21 LEU 25 3HD2 LEU 25 9.287 3.589 14.016 234 HD22 LEU 25 1HD2 LEU 25 9.955 3.791 12.384 235 HD23 LEU 25 2HD2 LEU 25 10.239 2.286 13.259 236 H VAL 26 H VAL 26 6.862 -1.856 14.088 237 HA VAL 26 HA VAL 26 5.723 -1.505 16.733 238 HB VAL 26 HB VAL 26 4.701 -2.748 14.810 239 HG11 VAL 26 1HG1 VAL 26 5.156 -5.060 14.416 240 HG12 VAL 26 2HG1 VAL 26 6.673 -4.180 14.209 241 HG13 VAL 26 3HG1 VAL 26 6.388 -5.118 15.692 242 HG21 VAL 26 3HG2 VAL 26 4.154 -4.778 16.670 243 HG22 VAL 26 1HG2 VAL 26 4.525 -3.340 17.635 244 HG23 VAL 26 2HG2 VAL 26 3.275 -3.270 16.387 245 H LYS 27 H LYS 27 8.542 -3.185 15.525 246 HA LYS 27 HA LYS 27 9.152 -4.534 18.072 247 HB2 LYS 27 1HB LYS 27 10.962 -5.562 16.915 248 HB3 LYS 27 2HB LYS 27 9.557 -5.582 15.844 249 HG2 LYS 27 1HG LYS 27 10.452 -3.560 14.680 250 HG3 LYS 27 2HG LYS 27 11.901 -3.616 15.686 251 HD2 LYS 27 1HD LYS 27 10.974 -5.662 13.664 252 HD3 LYS 27 2HD LYS 27 12.312 -4.526 13.503 253 HE2 LYS 27 1HE LYS 27 12.159 -6.890 15.432 254 HE3 LYS 27 2HE LYS 27 13.118 -6.804 13.956 255 HZ1 LYS 27 3HZ LYS 27 13.544 -5.148 16.386 256 HZ2 LYS 27 1HZ LYS 27 14.368 -4.945 14.985 257 HZ3 LYS 27 2HZ LYS 27 14.517 -6.329 15.832 258 H LYS 28 H LYS 28 10.236 -1.673 16.447 259 HA LYS 28 HA LYS 28 12.699 -1.152 17.574 260 HB2 LYS 28 1HB LYS 28 12.539 1.054 16.801 261 HB3 LYS 28 2HB LYS 28 11.543 0.104 15.725 262 HG2 LYS 28 1HG LYS 28 9.989 1.721 16.043 263 HG3 LYS 28 2HG LYS 28 9.646 0.893 17.550 264 HD2 LYS 28 1HD LYS 28 9.975 2.962 18.457 265 HD3 LYS 28 2HD LYS 28 11.675 2.522 18.382 266 HE2 LYS 28 1HE LYS 28 11.829 4.524 17.275 267 HE3 LYS 28 2HE LYS 28 11.458 3.503 15.885 268 HZ1 LYS 28 3HZ LYS 28 10.004 5.419 15.897 269 HZ2 LYS 28 1HZ LYS 28 9.531 5.160 17.432 270 HZ3 LYS 28 2HZ LYS 28 9.066 4.127 16.261 Start of MODEL 2 1 H1 LYS 1 1H LYS 1 -14.606 6.175 -9.516 2 H2 LYS 1 2H LYS 1 -15.787 5.058 -9.539 3 H3 LYS 1 3H LYS 1 -14.473 4.843 -10.472 4 HA LYS 1 HA LYS 1 -16.475 5.558 -11.714 5 HB2 LYS 1 1HB LYS 1 -16.034 8.188 -10.247 6 HB3 LYS 1 2HB LYS 1 -17.181 7.911 -11.560 7 HG2 LYS 1 1HG LYS 1 -18.547 6.454 -10.219 8 HG3 LYS 1 2HG LYS 1 -17.305 6.311 -8.977 9 HD2 LYS 1 1HD LYS 1 -17.597 8.914 -8.710 10 HD3 LYS 1 2HD LYS 1 -19.166 8.625 -9.494 11 HE2 LYS 1 1HE LYS 1 -19.684 6.902 -7.750 12 HE3 LYS 1 2HE LYS 1 -18.085 7.145 -7.045 13 HZ1 LYS 1 3HZ LYS 1 -19.155 9.655 -7.060 14 HZ2 LYS 1 1HZ LYS 1 -19.085 8.666 -5.766 15 HZ3 LYS 1 2HZ LYS 1 -20.440 8.726 -6.668 16 H LYS 2 H LYS 2 -13.743 7.830 -11.039 17 HA LYS 2 HA LYS 2 -12.966 7.726 -13.936 18 HB2 LYS 2 1HB LYS 2 -13.022 9.934 -11.861 19 HB3 LYS 2 2HB LYS 2 -11.997 10.083 -13.278 20 HG2 LYS 2 1HG LYS 2 -14.924 9.394 -13.650 21 HG3 LYS 2 2HG LYS 2 -14.427 11.056 -13.317 22 HD2 LYS 2 1HD LYS 2 -13.022 11.140 -15.286 23 HD3 LYS 2 2HD LYS 2 -13.207 9.410 -15.568 24 HE2 LYS 2 1HE LYS 2 -14.562 10.622 -17.150 25 HE3 LYS 2 2HE LYS 2 -15.596 9.690 -16.065 26 HZ1 LYS 2 3HZ LYS 2 -16.418 11.963 -16.430 27 HZ2 LYS 2 1HZ LYS 2 -15.059 12.607 -15.801 28 HZ3 LYS 2 2HZ LYS 2 -16.076 11.743 -14.853 29 H LYS 3 H LYS 3 -11.984 5.982 -11.665 30 HA LYS 3 HA LYS 3 -9.064 6.603 -11.540 31 HB2 LYS 3 1HB LYS 3 -10.809 4.520 -10.150 32 HB3 LYS 3 2HB LYS 3 -9.054 4.442 -10.161 33 HG2 LYS 3 1HG LYS 3 -9.601 5.444 -8.131 34 HG3 LYS 3 2HG LYS 3 -8.947 6.731 -9.144 35 HD2 LYS 3 1HD LYS 3 -11.220 7.630 -9.514 36 HD3 LYS 3 2HD LYS 3 -11.922 6.213 -8.713 37 HE2 LYS 3 1HE LYS 3 -12.002 7.939 -7.100 38 HE3 LYS 3 2HE LYS 3 -10.689 6.868 -6.611 39 HZ1 LYS 3 3HZ LYS 3 -10.393 9.488 -7.991 40 HZ2 LYS 3 1HZ LYS 3 -9.137 8.487 -7.674 41 HZ3 LYS 3 2HZ LYS 3 -9.981 9.157 -6.450 42 H ASN 4 H ASN 4 -7.656 5.740 -12.859 43 HA ASN 4 HA ASN 4 -8.340 3.872 -14.982 44 HB2 ASN 4 1HB ASN 4 -5.583 4.744 -13.992 45 HB3 ASN 4 2HB ASN 4 -5.963 4.023 -15.553 46 HD21 ASN 4 2HD2 ASN 4 -5.332 6.966 -14.064 47 HD22 ASN 4 1HD2 ASN 4 -6.139 7.984 -15.248 48 H TRP 5 H TRP 5 -8.061 1.649 -15.058 49 HA TRP 5 HA TRP 5 -7.738 0.037 -12.766 50 HB2 TRP 5 1HB TRP 5 -7.687 -1.803 -14.224 51 HB3 TRP 5 2HB TRP 5 -8.754 -0.625 -14.962 52 HD1 TRP 5 HD1 TRP 5 -7.619 0.796 -17.096 53 HE1 TRP 5 HE1 TRP 5 -5.912 0.038 -18.863 54 HE3 TRP 5 HE3 TRP 5 -5.767 -3.353 -14.724 55 HZ2 TRP 5 HZ2 TRP 5 -4.010 -2.088 -19.214 56 HZ3 TRP 5 HZ3 TRP 5 -4.020 -4.750 -15.820 57 HH2 TRP 5 HH2 TRP 5 -3.135 -4.127 -18.056 58 H PHE 6 H PHE 6 -5.278 1.318 -14.915 59 HA PHE 6 HA PHE 6 -3.030 -0.195 -14.044 60 HB2 PHE 6 1HB PHE 6 -3.350 1.409 -16.060 61 HB3 PHE 6 2HB PHE 6 -2.937 2.702 -14.943 62 HD1 PHE 6 HD2 PHE 6 -1.755 -0.345 -16.688 63 HD2 PHE 6 HD1 PHE 6 -0.597 2.952 -14.156 64 HE1 PHE 6 HE2 PHE 6 0.637 -0.857 -17.114 65 HE2 PHE 6 HE1 PHE 6 1.795 2.437 -14.587 66 HZ PHE 6 HZ PHE 6 2.416 0.532 -16.064 67 H ASP 7 H ASP 7 -4.693 2.506 -12.493 68 HA ASP 7 HA ASP 7 -2.550 3.013 -10.544 69 HB2 ASP 7 1HB ASP 7 -4.346 4.671 -11.537 70 HB3 ASP 7 2HB ASP 7 -5.397 3.996 -10.297 71 H ILE 8 H ILE 8 -5.558 1.145 -10.727 72 HA ILE 8 HA ILE 8 -5.915 0.511 -7.974 73 HB ILE 8 HB ILE 8 -6.550 -1.241 -10.374 74 HG12 ILE 8 1HG1 ILE 8 -7.686 0.859 -10.686 75 HG13 ILE 8 2HG1 ILE 8 -8.840 -0.372 -10.222 76 HG21 ILE 8 1HG2 ILE 8 -7.545 -1.385 -7.509 77 HG22 ILE 8 2HG2 ILE 8 -8.300 -2.230 -8.878 78 HG23 ILE 8 3HG2 ILE 8 -6.646 -2.614 -8.417 79 HD11 ILE 8 3HD1 ILE 8 -9.481 1.578 -9.053 80 HD12 ILE 8 1HD1 ILE 8 -8.671 0.601 -7.820 81 HD13 ILE 8 2HD1 ILE 8 -7.818 1.967 -8.579 82 H THR 9 H THR 9 -4.007 -1.290 -10.443 83 HA THR 9 HA THR 9 -3.028 -3.226 -8.555 84 HB THR 9 HB THR 9 -2.987 -3.538 -11.006 85 HG1 THR 9 HG1 THR 9 -0.554 -3.925 -9.601 86 HG21 THR 9 3HG2 THR 9 -0.426 -1.884 -10.942 87 HG22 THR 9 1HG2 THR 9 -1.954 -1.433 -11.735 88 HG23 THR 9 2HG2 THR 9 -1.050 -2.840 -12.300 89 H ASN 10 H ASN 10 -1.936 0.080 -9.199 90 HA ASN 10 HA ASN 10 0.589 -0.230 -7.786 91 HB2 ASN 10 1HB ASN 10 -1.017 2.300 -8.349 92 HB3 ASN 10 2HB ASN 10 0.591 2.254 -7.667 93 HD21 ASN 10 2HD2 ASN 10 1.733 0.167 -9.496 94 HD22 ASN 10 1HD2 ASN 10 1.832 1.045 -11.010 95 H TRP 11 H TRP 11 -2.745 0.559 -6.760 96 HA TRP 11 HA TRP 11 -1.964 1.085 -4.009 97 HB2 TRP 11 1HB TRP 11 -4.654 0.458 -5.251 98 HB3 TRP 11 2HB TRP 11 -4.412 0.761 -3.531 99 HD1 TRP 11 HD1 TRP 11 -4.946 2.552 -6.723 100 HE1 TRP 11 HE1 TRP 11 -4.469 5.043 -6.554 101 HE3 TRP 11 HE3 TRP 11 -2.888 2.626 -2.035 102 HZ2 TRP 11 HZ2 TRP 11 -3.512 6.905 -4.515 103 HZ3 TRP 11 HZ3 TRP 11 -2.205 4.782 -0.999 104 HH2 TRP 11 HH2 TRP 11 -2.503 6.916 -2.224 105 H LEU 12 H LEU 12 -2.977 -1.869 -5.708 106 HA LEU 12 HA LEU 12 -3.467 -3.558 -3.578 107 HB2 LEU 12 1HB LEU 12 -2.780 -3.877 -6.386 108 HB3 LEU 12 2HB LEU 12 -1.937 -5.093 -5.466 109 HG LEU 12 HG LEU 12 -3.985 -5.993 -6.244 110 HD11 LEU 12 1HD1 LEU 12 -3.230 -6.594 -3.901 111 HD12 LEU 12 2HD1 LEU 12 -4.937 -6.894 -4.270 112 HD13 LEU 12 3HD1 LEU 12 -4.484 -5.491 -3.289 113 HD21 LEU 12 3HD2 LEU 12 -5.257 -3.908 -6.547 114 HD22 LEU 12 1HD2 LEU 12 -5.469 -3.769 -4.789 115 HD23 LEU 12 2HD2 LEU 12 -6.192 -5.133 -5.671 116 H TRP 13 H TRP 13 -0.184 -2.992 -4.914 117 HA TRP 13 HA TRP 13 1.060 -4.516 -2.736 118 HB2 TRP 13 1HB TRP 13 3.121 -4.077 -3.727 119 HB3 TRP 13 2HB TRP 13 2.009 -4.383 -5.045 120 HD1 TRP 13 HD1 TRP 13 1.447 -2.327 -6.659 121 HE1 TRP 13 HE1 TRP 13 2.645 -0.068 -7.110 122 HE3 TRP 13 HE3 TRP 13 4.692 -2.272 -2.701 123 HZ2 TRP 13 HZ2 TRP 13 4.612 1.573 -5.876 124 HZ3 TRP 13 HZ3 TRP 13 6.291 -0.386 -2.423 125 HH2 TRP 13 HH2 TRP 13 6.222 1.563 -3.960 126 H TYR 14 H TYR 14 0.348 -1.087 -3.295 127 HA TYR 14 HA TYR 14 2.049 0.036 -1.307 128 HB2 TYR 14 1HB TYR 14 0.870 1.227 -3.162 129 HB3 TYR 14 2HB TYR 14 -0.631 1.084 -2.254 130 HD1 TYR 14 HD2 TYR 14 -0.857 2.295 -0.023 131 HD2 TYR 14 HD1 TYR 14 2.470 2.917 -2.705 132 HE1 TYR 14 HE2 TYR 14 -0.369 4.464 1.087 133 HE2 TYR 14 HE1 TYR 14 2.940 5.105 -1.601 134 HH TYR 14 HH TYR 14 0.903 6.366 1.060 135 H ILE 15 H ILE 15 -1.267 -1.251 -1.060 136 HA ILE 15 HA ILE 15 -1.817 -0.484 1.634 137 HB ILE 15 HB ILE 15 -2.770 -2.921 0.088 138 HG12 ILE 15 1HG1 ILE 15 -4.474 -0.471 0.637 139 HG13 ILE 15 2HG1 ILE 15 -3.304 -0.377 -0.656 140 HG21 ILE 15 1HG2 ILE 15 -3.169 -3.360 2.433 141 HG22 ILE 15 2HG2 ILE 15 -3.715 -1.695 2.718 142 HG23 ILE 15 3HG2 ILE 15 -4.709 -2.816 1.761 143 HD11 ILE 15 3HD1 ILE 15 -5.361 -1.083 -1.641 144 HD12 ILE 15 1HD1 ILE 15 -4.271 -2.478 -1.663 145 HD13 ILE 15 2HD1 ILE 15 -5.572 -2.388 -0.453 146 H LYS 16 H LYS 16 -0.452 -3.578 0.443 147 HA LYS 16 HA LYS 16 0.302 -4.570 3.070 148 HB2 LYS 16 1HB LYS 16 1.053 -5.348 0.235 149 HB3 LYS 16 2HB LYS 16 1.769 -6.136 1.642 150 HG2 LYS 16 1HG LYS 16 -0.012 -7.429 1.975 151 HG3 LYS 16 2HG LYS 16 -1.085 -6.048 2.084 152 HD2 LYS 16 1HD LYS 16 -1.854 -7.607 0.416 153 HD3 LYS 16 2HD LYS 16 -1.444 -6.067 -0.346 154 HE2 LYS 16 1HE LYS 16 0.407 -6.928 -1.455 155 HE3 LYS 16 2HE LYS 16 0.714 -8.161 -0.226 156 HZ1 LYS 16 3HZ LYS 16 -1.150 -9.431 -1.055 157 HZ2 LYS 16 1HZ LYS 16 -0.155 -9.113 -2.305 158 HZ3 LYS 16 2HZ LYS 16 -1.552 -8.279 -2.143 159 H LEU 17 H LEU 17 2.059 -2.578 0.736 160 HA LEU 17 HA LEU 17 4.616 -2.626 1.930 161 HB2 LEU 17 1HB LEU 17 4.231 -1.576 -0.224 162 HB3 LEU 17 2HB LEU 17 3.147 -0.401 0.509 163 HG LEU 17 HG LEU 17 5.046 0.539 1.817 164 HD11 LEU 17 1HD1 LEU 17 6.704 -1.284 0.030 165 HD12 LEU 17 2HD1 LEU 17 6.584 -1.350 1.805 166 HD13 LEU 17 3HD1 LEU 17 7.346 0.040 1.030 167 HD21 LEU 17 3HD2 LEU 17 4.536 0.788 -1.043 168 HD22 LEU 17 1HD2 LEU 17 6.189 1.262 -0.603 169 HD23 LEU 17 2HD2 LEU 17 4.802 2.017 0.192 170 H PHE 18 H PHE 18 1.809 -0.521 2.719 171 HA PHE 18 HA PHE 18 3.002 0.926 4.834 172 HB2 PHE 18 1HB PHE 18 0.709 1.248 3.720 173 HB3 PHE 18 2HB PHE 18 0.098 0.021 4.818 174 HD1 PHE 18 HD1 PHE 18 1.507 3.432 4.515 175 HD2 PHE 18 HD2 PHE 18 -0.095 0.509 7.257 176 HE1 PHE 18 HE1 PHE 18 1.308 5.183 6.264 177 HE2 PHE 18 HE2 PHE 18 -0.289 2.264 9.006 178 HZ PHE 18 HZ PHE 18 0.407 4.604 8.510 179 H ILE 19 H ILE 19 1.333 -2.237 4.979 180 HA ILE 19 HA ILE 19 1.608 -2.654 7.782 181 HB ILE 19 HB ILE 19 1.589 -4.898 5.735 182 HG12 ILE 19 1HG1 ILE 19 -0.820 -3.430 6.911 183 HG13 ILE 19 2HG1 ILE 19 -0.268 -3.321 5.242 184 HG21 ILE 19 1HG2 ILE 19 2.086 -5.521 8.102 185 HG22 ILE 19 2HG2 ILE 19 0.600 -4.701 8.622 186 HG23 ILE 19 3HG2 ILE 19 0.530 -6.151 7.597 187 HD11 ILE 19 3HD1 ILE 19 -2.080 -4.822 5.203 188 HD12 ILE 19 1HD1 ILE 19 -0.621 -5.814 5.008 189 HD13 ILE 19 2HD1 ILE 19 -1.465 -5.754 6.576 190 H MET 20 H MET 20 3.784 -3.844 5.136 191 HA MET 20 HA MET 20 5.616 -5.080 6.945 192 HB2 MET 20 1HB MET 20 7.169 -5.283 5.142 193 HB3 MET 20 2HB MET 20 5.536 -5.616 4.552 194 HG2 MET 20 1HG MET 20 5.411 -3.435 3.552 195 HG3 MET 20 2HG MET 20 7.001 -2.987 4.172 196 HE1 MET 20 3HE MET 20 6.159 -5.919 0.684 197 HE2 MET 20 1HE MET 20 5.283 -5.953 2.229 198 HE3 MET 20 2HE MET 20 5.076 -4.586 1.111 199 H ILE 21 H ILE 21 5.486 -1.702 5.880 200 HA ILE 21 HA ILE 21 8.009 -0.911 7.098 201 HB ILE 21 HB ILE 21 5.551 0.683 6.272 202 HG12 ILE 21 1HG1 ILE 21 8.302 0.673 4.960 203 HG13 ILE 21 2HG1 ILE 21 7.049 -0.462 4.480 204 HG21 ILE 21 1HG2 ILE 21 8.209 1.565 7.463 205 HG22 ILE 21 2HG2 ILE 21 7.243 2.663 6.469 206 HG23 ILE 21 3HG2 ILE 21 6.553 2.012 7.947 207 HD11 ILE 21 3HD1 ILE 21 6.986 1.441 2.987 208 HD12 ILE 21 1HD1 ILE 21 5.507 1.430 3.969 209 HD13 ILE 21 2HD1 ILE 21 6.814 2.574 4.328 210 H VAL 22 H VAL 22 4.585 -0.524 8.166 211 HA VAL 22 HA VAL 22 5.135 0.501 10.773 212 HB VAL 22 HB VAL 22 2.780 -1.132 9.793 213 HG11 VAL 22 1HG1 VAL 22 2.703 -1.195 12.224 214 HG12 VAL 22 2HG1 VAL 22 3.060 0.547 12.322 215 HG13 VAL 22 3HG1 VAL 22 1.514 -0.016 11.653 216 HG21 VAL 22 3HG2 VAL 22 3.045 1.891 10.277 217 HG22 VAL 22 1HG2 VAL 22 3.223 1.165 8.680 218 HG23 VAL 22 2HG2 VAL 22 1.684 1.027 9.534 219 H GLY 23 H GLY 23 4.991 -2.887 9.648 220 HA2 GLY 23 1HA GLY 23 5.050 -4.207 12.077 221 HA3 GLY 23 2HA GLY 23 5.857 -4.802 10.621 222 H GLY 24 H GLY 24 7.666 -2.347 10.686 223 HA2 GLY 24 1HA GLY 24 9.587 -3.171 12.846 224 HA3 GLY 24 2HA GLY 24 10.036 -2.480 11.292 225 H LEU 25 H LEU 25 7.758 -0.420 11.586 226 HA LEU 25 HA LEU 25 9.243 1.514 13.271 227 HB2 LEU 25 1HB LEU 25 6.893 1.847 11.376 228 HB3 LEU 25 2HB LEU 25 7.602 3.154 12.316 229 HG LEU 25 HG LEU 25 8.961 1.593 10.088 230 HD11 LEU 25 1HD1 LEU 25 8.312 4.559 10.396 231 HD12 LEU 25 2HD1 LEU 25 7.285 3.411 9.529 232 HD13 LEU 25 3HD1 LEU 25 8.930 3.733 8.947 233 HD21 LEU 25 3HD2 LEU 25 10.710 2.073 11.704 234 HD22 LEU 25 1HD2 LEU 25 10.100 3.728 11.947 235 HD23 LEU 25 2HD2 LEU 25 10.835 3.253 10.399 236 H VAL 26 H VAL 26 6.313 -0.361 13.628 237 HA VAL 26 HA VAL 26 4.940 1.281 15.493 238 HB VAL 26 HB VAL 26 4.006 -0.680 14.317 239 HG11 VAL 26 1HG1 VAL 26 5.285 -2.429 16.455 240 HG12 VAL 26 2HG1 VAL 26 4.240 -2.929 15.113 241 HG13 VAL 26 3HG1 VAL 26 5.866 -2.327 14.777 242 HG21 VAL 26 3HG2 VAL 26 2.502 -1.400 16.061 243 HG22 VAL 26 1HG2 VAL 26 3.595 -0.783 17.317 244 HG23 VAL 26 2HG2 VAL 26 2.808 0.339 16.180 245 H LYS 27 H LYS 27 7.560 -0.971 15.990 246 HA LYS 27 HA LYS 27 7.576 -0.729 18.925 247 HB2 LYS 27 1HB LYS 27 9.306 -2.356 18.879 248 HB3 LYS 27 2HB LYS 27 8.123 -2.833 17.654 249 HG2 LYS 27 1HG LYS 27 9.627 -1.631 15.944 250 HG3 LYS 27 2HG LYS 27 10.853 -1.535 17.212 251 HD2 LYS 27 1HD LYS 27 9.632 -4.058 16.048 252 HD3 LYS 27 2HD LYS 27 11.235 -3.372 15.700 253 HE2 LYS 27 1HE LYS 27 11.949 -3.710 18.012 254 HE3 LYS 27 2HE LYS 27 10.350 -4.307 18.473 255 HZ1 LYS 27 3HZ LYS 27 12.146 -6.026 17.935 256 HZ2 LYS 27 1HZ LYS 27 11.904 -5.674 16.362 257 HZ3 LYS 27 2HZ LYS 27 10.681 -6.273 17.265 258 H LYS 28 H LYS 28 9.305 0.741 16.286 259 HA LYS 28 HA LYS 28 11.628 1.677 17.560 260 HB2 LYS 28 1HB LYS 28 10.073 2.571 15.141 261 HB3 LYS 28 2HB LYS 28 11.306 3.648 15.740 262 HG2 LYS 28 1HG LYS 28 11.861 0.724 15.153 263 HG3 LYS 28 2HG LYS 28 11.998 1.966 13.916 264 HD2 LYS 28 1HD LYS 28 13.569 2.209 16.519 265 HD3 LYS 28 2HD LYS 28 14.107 1.177 15.208 266 HE2 LYS 28 1HE LYS 28 15.282 3.142 14.858 267 HE3 LYS 28 2HE LYS 28 14.006 3.162 13.644 268 HZ1 LYS 28 3HZ LYS 28 12.794 4.744 15.058 269 HZ2 LYS 28 1HZ LYS 28 14.287 5.316 14.751 270 HZ3 LYS 28 2HZ LYS 28 13.958 4.674 16.211 Start of MODEL 3 1 H1 LYS 1 1H LYS 1 -14.049 9.454 -7.394 2 H2 LYS 1 2H LYS 1 -12.523 9.153 -6.901 3 H3 LYS 1 3H LYS 1 -12.982 10.683 -7.262 4 HA LYS 1 HA LYS 1 -13.378 10.005 -9.592 5 HB2 LYS 1 1HB LYS 1 -10.633 10.075 -8.341 6 HB3 LYS 1 2HB LYS 1 -10.748 9.388 -9.947 7 HG2 LYS 1 1HG LYS 1 -10.452 11.511 -10.604 8 HG3 LYS 1 2HG LYS 1 -12.202 11.540 -10.490 9 HD2 LYS 1 1HD LYS 1 -11.729 12.440 -8.011 10 HD3 LYS 1 2HD LYS 1 -10.104 12.712 -8.639 11 HE2 LYS 1 1HE LYS 1 -11.099 14.766 -9.067 12 HE3 LYS 1 2HE LYS 1 -11.290 13.944 -10.615 13 HZ1 LYS 1 3HZ LYS 1 -13.591 13.359 -9.876 14 HZ2 LYS 1 1HZ LYS 1 -13.369 14.970 -9.957 15 HZ3 LYS 1 2HZ LYS 1 -13.373 14.232 -8.507 16 H LYS 2 H LYS 2 -12.936 8.492 -11.258 17 HA LYS 2 HA LYS 2 -12.519 5.637 -10.474 18 HB2 LYS 2 1HB LYS 2 -14.805 6.787 -12.109 19 HB3 LYS 2 2HB LYS 2 -14.171 5.173 -12.438 20 HG2 LYS 2 1HG LYS 2 -14.502 4.566 -10.031 21 HG3 LYS 2 2HG LYS 2 -15.338 6.103 -9.779 22 HD2 LYS 2 1HD LYS 2 -16.200 4.182 -11.979 23 HD3 LYS 2 2HD LYS 2 -16.686 3.880 -10.322 24 HE2 LYS 2 1HE LYS 2 -17.159 6.655 -11.384 25 HE3 LYS 2 2HE LYS 2 -18.137 5.358 -12.076 26 HZ1 LYS 2 3HZ LYS 2 -18.892 4.764 -9.871 27 HZ2 LYS 2 1HZ LYS 2 -19.199 6.344 -10.114 28 HZ3 LYS 2 2HZ LYS 2 -17.951 5.896 -9.161 29 H LYS 3 H LYS 3 -10.948 4.798 -11.474 30 HA LYS 3 HA LYS 3 -10.026 5.655 -14.196 31 HB2 LYS 3 1HB LYS 3 -8.397 5.186 -11.663 32 HB3 LYS 3 2HB LYS 3 -7.667 5.101 -13.255 33 HG2 LYS 3 1HG LYS 3 -9.262 7.577 -12.873 34 HG3 LYS 3 2HG LYS 3 -7.945 7.399 -11.711 35 HD2 LYS 3 1HD LYS 3 -6.299 7.207 -13.471 36 HD3 LYS 3 2HD LYS 3 -7.547 7.051 -14.709 37 HE2 LYS 3 1HE LYS 3 -6.532 9.244 -14.792 38 HE3 LYS 3 2HE LYS 3 -8.247 9.368 -14.404 39 HZ1 LYS 3 3HZ LYS 3 -7.758 10.075 -12.266 40 HZ2 LYS 3 1HZ LYS 3 -6.474 10.706 -13.047 41 HZ3 LYS 3 2HZ LYS 3 -6.301 9.328 -12.191 42 H ASN 4 H ASN 4 -8.458 3.952 -15.061 43 HA ASN 4 HA ASN 4 -9.936 1.518 -15.382 44 HB2 ASN 4 1HB ASN 4 -8.053 2.867 -16.852 45 HB3 ASN 4 2HB ASN 4 -7.039 1.591 -16.183 46 HD21 ASN 4 2HD2 ASN 4 -7.990 2.118 -18.998 47 HD22 ASN 4 1HD2 ASN 4 -8.820 0.632 -19.443 48 H TRP 5 H TRP 5 -9.034 -0.710 -15.061 49 HA TRP 5 HA TRP 5 -8.497 -1.251 -12.319 50 HB2 TRP 5 1HB TRP 5 -8.243 -3.537 -12.964 51 HB3 TRP 5 2HB TRP 5 -9.544 -2.835 -13.910 52 HD1 TRP 5 HD1 TRP 5 -9.168 -2.618 -16.538 53 HE1 TRP 5 HE1 TRP 5 -7.456 -3.615 -18.179 54 HE3 TRP 5 HE3 TRP 5 -5.747 -4.407 -13.170 55 HZ2 TRP 5 HZ2 TRP 5 -4.917 -4.965 -18.052 56 HZ3 TRP 5 HZ3 TRP 5 -3.681 -5.548 -13.964 57 HH2 TRP 5 HH2 TRP 5 -3.254 -5.825 -16.392 58 H PHE 6 H PHE 6 -6.242 -0.737 -14.957 59 HA PHE 6 HA PHE 6 -3.835 -1.655 -13.779 60 HB2 PHE 6 1HB PHE 6 -4.325 -0.962 -16.178 61 HB3 PHE 6 2HB PHE 6 -4.158 0.710 -15.663 62 HD1 PHE 6 HD1 PHE 6 -1.909 1.576 -14.948 63 HD2 PHE 6 HD2 PHE 6 -2.431 -2.447 -16.419 64 HE1 PHE 6 HE1 PHE 6 0.546 1.372 -15.267 65 HE2 PHE 6 HE2 PHE 6 0.023 -2.640 -16.753 66 HZ PHE 6 HZ PHE 6 1.515 -0.735 -16.171 67 H ASP 7 H ASP 7 -5.623 1.344 -13.143 68 HA ASP 7 HA ASP 7 -3.412 2.548 -11.581 69 HB2 ASP 7 1HB ASP 7 -6.208 3.373 -12.352 70 HB3 ASP 7 2HB ASP 7 -5.473 4.086 -10.925 71 H ILE 8 H ILE 8 -6.157 0.449 -11.018 72 HA ILE 8 HA ILE 8 -6.185 0.766 -8.106 73 HB ILE 8 HB ILE 8 -7.346 -1.484 -9.790 74 HG12 ILE 8 1HG1 ILE 8 -8.409 0.515 -10.572 75 HG13 ILE 8 2HG1 ILE 8 -9.528 -0.339 -9.531 76 HG21 ILE 8 1HG2 ILE 8 -7.828 -0.654 -6.905 77 HG22 ILE 8 2HG2 ILE 8 -8.853 -1.792 -7.808 78 HG23 ILE 8 3HG2 ILE 8 -7.162 -2.188 -7.501 79 HD11 ILE 8 3HD1 ILE 8 -8.907 1.283 -7.660 80 HD12 ILE 8 1HD1 ILE 8 -7.972 2.197 -8.870 81 HD13 ILE 8 2HD1 ILE 8 -9.722 2.005 -9.057 82 H THR 9 H THR 9 -4.713 -1.598 -10.406 83 HA THR 9 HA THR 9 -3.533 -3.260 -8.399 84 HB THR 9 HB THR 9 -1.916 -3.976 -10.138 85 HG1 THR 9 HG1 THR 9 -1.610 -2.510 -11.614 86 HG21 THR 9 3HG2 THR 9 -4.834 -3.894 -11.001 87 HG22 THR 9 1HG2 THR 9 -4.088 -5.091 -9.918 88 HG23 THR 9 2HG2 THR 9 -3.589 -4.999 -11.616 89 H ASN 10 H ASN 10 -2.487 -0.115 -9.615 90 HA ASN 10 HA ASN 10 0.176 -0.189 -8.550 91 HB2 ASN 10 1HB ASN 10 -0.392 1.428 -10.230 92 HB3 ASN 10 2HB ASN 10 -1.737 2.058 -9.284 93 HD21 ASN 10 2HD2 ASN 10 -1.369 3.563 -7.666 94 HD22 ASN 10 1HD2 ASN 10 0.231 4.248 -7.379 95 H TRP 11 H TRP 11 -2.964 0.867 -7.137 96 HA TRP 11 HA TRP 11 -1.812 1.617 -4.591 97 HB2 TRP 11 1HB TRP 11 -4.650 0.983 -5.437 98 HB3 TRP 11 2HB TRP 11 -4.203 1.438 -3.795 99 HD1 TRP 11 HD1 TRP 11 -5.192 2.977 -6.981 100 HE1 TRP 11 HE1 TRP 11 -4.766 5.519 -6.982 101 HE3 TRP 11 HE3 TRP 11 -2.268 3.321 -2.786 102 HZ2 TRP 11 HZ2 TRP 11 -3.296 7.434 -5.409 103 HZ3 TRP 11 HZ3 TRP 11 -1.350 5.520 -2.074 104 HH2 TRP 11 HH2 TRP 11 -1.847 7.572 -3.373 105 H LEU 12 H LEU 12 -3.067 -1.455 -5.828 106 HA LEU 12 HA LEU 12 -3.265 -2.906 -3.461 107 HB2 LEU 12 1HB LEU 12 -3.190 -3.478 -6.261 108 HB3 LEU 12 2HB LEU 12 -2.080 -4.605 -5.507 109 HG LEU 12 HG LEU 12 -5.007 -4.196 -4.746 110 HD11 LEU 12 1HD1 LEU 12 -5.304 -6.431 -5.774 111 HD12 LEU 12 2HD1 LEU 12 -3.591 -6.445 -6.245 112 HD13 LEU 12 3HD1 LEU 12 -4.705 -5.253 -6.950 113 HD21 LEU 12 3HD2 LEU 12 -2.975 -6.257 -3.769 114 HD22 LEU 12 1HD2 LEU 12 -4.722 -6.301 -3.443 115 HD23 LEU 12 2HD2 LEU 12 -3.741 -4.988 -2.788 116 H TRP 13 H TRP 13 -0.239 -2.566 -5.396 117 HA TRP 13 HA TRP 13 1.352 -3.886 -3.316 118 HB2 TRP 13 1HB TRP 13 3.229 -3.544 -4.658 119 HB3 TRP 13 2HB TRP 13 1.925 -3.970 -5.746 120 HD1 TRP 13 HD1 TRP 13 1.370 -2.284 -7.649 121 HE1 TRP 13 HE1 TRP 13 2.360 -0.018 -8.437 122 HE3 TRP 13 HE3 TRP 13 4.584 -1.349 -3.764 123 HZ2 TRP 13 HZ2 TRP 13 4.079 2.011 -7.412 124 HZ3 TRP 13 HZ3 TRP 13 5.947 0.732 -3.751 125 HH2 TRP 13 HH2 TRP 13 5.651 2.447 -5.512 126 H TYR 14 H TYR 14 0.471 -0.533 -4.006 127 HA TYR 14 HA TYR 14 2.500 0.732 -2.436 128 HB2 TYR 14 1HB TYR 14 1.018 1.805 -4.155 129 HB3 TYR 14 2HB TYR 14 -0.301 1.746 -2.992 130 HD1 TYR 14 HD2 TYR 14 -0.067 3.047 -0.786 131 HD2 TYR 14 HD1 TYR 14 2.628 3.539 -4.126 132 HE1 TYR 14 HE2 TYR 14 0.662 5.236 0.128 133 HE2 TYR 14 HE1 TYR 14 3.333 5.755 -3.215 134 HH TYR 14 HH TYR 14 1.953 7.093 -0.192 135 H ILE 15 H ILE 15 -0.805 -0.351 -1.547 136 HA ILE 15 HA ILE 15 -0.825 0.536 1.166 137 HB ILE 15 HB ILE 15 -2.108 -1.924 -0.077 138 HG12 ILE 15 1HG1 ILE 15 -3.615 0.622 0.606 139 HG13 ILE 15 2HG1 ILE 15 -2.687 0.584 -0.877 140 HG21 ILE 15 1HG2 ILE 15 -2.132 -2.210 2.348 141 HG22 ILE 15 2HG2 ILE 15 -2.675 -0.534 2.584 142 HG23 ILE 15 3HG2 ILE 15 -3.751 -1.735 1.843 143 HD11 ILE 15 3HD1 ILE 15 -4.954 -0.079 -1.378 144 HD12 ILE 15 1HD1 ILE 15 -3.887 -1.477 -1.605 145 HD13 ILE 15 2HD1 ILE 15 -4.908 -1.365 -0.154 146 H LYS 16 H LYS 16 0.636 -2.316 -0.285 147 HA LYS 16 HA LYS 16 1.422 -3.722 2.066 148 HB2 LYS 16 1HB LYS 16 1.467 -4.214 -0.606 149 HB3 LYS 16 2HB LYS 16 3.177 -3.847 -0.354 150 HG2 LYS 16 1HG LYS 16 3.354 -5.626 1.305 151 HG3 LYS 16 2HG LYS 16 1.594 -5.893 1.274 152 HD2 LYS 16 1HD LYS 16 1.628 -6.680 -0.981 153 HD3 LYS 16 2HD LYS 16 3.295 -6.149 -1.229 154 HE2 LYS 16 1HE LYS 16 3.247 -7.920 1.052 155 HE3 LYS 16 2HE LYS 16 2.305 -8.686 -0.228 156 HZ1 LYS 16 3HZ LYS 16 4.207 -8.439 -1.713 157 HZ2 LYS 16 1HZ LYS 16 4.685 -9.235 -0.371 158 HZ3 LYS 16 2HZ LYS 16 5.078 -7.664 -0.565 159 H LEU 17 H LEU 17 2.831 -0.853 0.619 160 HA LEU 17 HA LEU 17 5.410 -0.965 1.914 161 HB2 LEU 17 1HB LEU 17 3.851 1.524 1.153 162 HB3 LEU 17 2HB LEU 17 5.572 1.418 1.481 163 HG LEU 17 HG LEU 17 4.146 0.135 -0.888 164 HD11 LEU 17 1HD1 LEU 17 4.475 2.733 -0.708 165 HD12 LEU 17 2HD1 LEU 17 4.927 1.907 -2.186 166 HD13 LEU 17 3HD1 LEU 17 6.185 2.368 -1.017 167 HD21 LEU 17 3HD2 LEU 17 7.109 0.251 -0.176 168 HD22 LEU 17 1HD2 LEU 17 6.450 -0.287 -1.737 169 HD23 LEU 17 2HD2 LEU 17 6.097 -1.206 -0.272 170 H PHE 18 H PHE 18 2.231 0.331 2.907 171 HA PHE 18 HA PHE 18 3.043 1.546 5.365 172 HB2 PHE 18 1HB PHE 18 0.812 1.769 4.178 173 HB3 PHE 18 2HB PHE 18 0.388 0.178 4.794 174 HD1 PHE 18 HD1 PHE 18 1.117 3.698 5.714 175 HD2 PHE 18 HD2 PHE 18 -0.229 -0.149 7.138 176 HE1 PHE 18 HE1 PHE 18 0.306 4.756 7.811 177 HE2 PHE 18 HE2 PHE 18 -1.031 0.913 9.236 178 HZ PHE 18 HZ PHE 18 -0.775 3.368 9.570 179 H ILE 19 H ILE 19 2.043 -1.792 4.618 180 HA ILE 19 HA ILE 19 2.191 -2.845 7.254 181 HB ILE 19 HB ILE 19 2.756 -4.415 4.712 182 HG12 ILE 19 1HG1 ILE 19 0.058 -3.856 6.037 183 HG13 ILE 19 2HG1 ILE 19 0.607 -3.142 4.522 184 HG21 ILE 19 1HG2 ILE 19 1.920 -6.323 6.080 185 HG22 ILE 19 2HG2 ILE 19 3.319 -5.584 6.833 186 HG23 ILE 19 3HG2 ILE 19 1.696 -5.228 7.462 187 HD11 ILE 19 3HD1 ILE 19 -0.045 -6.060 4.998 188 HD12 ILE 19 1HD1 ILE 19 -0.837 -4.907 3.915 189 HD13 ILE 19 2HD1 ILE 19 0.808 -5.467 3.554 190 H MET 20 H MET 20 4.771 -2.923 4.703 191 HA MET 20 HA MET 20 6.713 -4.143 6.410 192 HB2 MET 20 1HB MET 20 8.417 -3.433 4.815 193 HB3 MET 20 2HB MET 20 7.007 -4.130 4.001 194 HG2 MET 20 1HG MET 20 6.202 -2.040 3.359 195 HG3 MET 20 2HG MET 20 7.404 -1.143 4.287 196 HE1 MET 20 3HE MET 20 10.209 -2.027 3.724 197 HE2 MET 20 1HE MET 20 10.557 -1.115 2.239 198 HE3 MET 20 2HE MET 20 9.579 -0.376 3.524 199 H ILE 21 H ILE 21 5.887 -0.706 6.084 200 HA ILE 21 HA ILE 21 8.063 0.289 7.737 201 HB ILE 21 HB ILE 21 5.369 1.467 6.960 202 HG12 ILE 21 1HG1 ILE 21 8.148 2.301 6.008 203 HG13 ILE 21 2HG1 ILE 21 7.218 1.071 5.172 204 HG21 ILE 21 1HG2 ILE 21 7.700 2.771 8.439 205 HG22 ILE 21 2HG2 ILE 21 6.324 3.657 7.751 206 HG23 ILE 21 3HG2 ILE 21 6.049 2.513 9.052 207 HD11 ILE 21 3HD1 ILE 21 6.815 3.117 4.024 208 HD12 ILE 21 1HD1 ILE 21 5.326 2.729 4.903 209 HD13 ILE 21 2HD1 ILE 21 6.426 3.983 5.519 210 H VAL 22 H VAL 22 4.577 -0.304 8.454 211 HA VAL 22 HA VAL 22 4.715 0.188 11.264 212 HB VAL 22 HB VAL 22 2.844 -1.609 9.698 213 HG11 VAL 22 1HG1 VAL 22 2.626 -2.253 12.039 214 HG12 VAL 22 2HG1 VAL 22 2.570 -0.549 12.545 215 HG13 VAL 22 3HG1 VAL 22 1.242 -1.248 11.593 216 HG21 VAL 22 3HG2 VAL 22 2.849 0.924 9.162 217 HG22 VAL 22 1HG2 VAL 22 1.323 0.286 9.776 218 HG23 VAL 22 2HG2 VAL 22 2.401 1.206 10.844 219 H GLY 23 H GLY 23 5.343 -2.821 9.438 220 HA2 GLY 23 1HA GLY 23 5.557 -4.613 11.543 221 HA3 GLY 23 2HA GLY 23 6.514 -4.716 10.061 222 H GLY 24 H GLY 24 7.785 -2.028 10.796 223 HA2 GLY 24 1HA GLY 24 9.770 -2.949 12.855 224 HA3 GLY 24 2HA GLY 24 10.114 -1.845 11.530 225 H LEU 25 H LEU 25 7.458 -0.379 12.113 226 HA LEU 25 HA LEU 25 8.468 1.348 14.300 227 HB2 LEU 25 1HB LEU 25 6.117 1.648 12.399 228 HB3 LEU 25 2HB LEU 25 6.529 2.799 13.661 229 HG LEU 25 HG LEU 25 8.190 2.145 11.200 230 HD11 LEU 25 1HD1 LEU 25 7.746 4.462 10.628 231 HD12 LEU 25 2HD1 LEU 25 6.947 4.749 12.191 232 HD13 LEU 25 3HD1 LEU 25 6.195 3.683 10.994 233 HD21 LEU 25 3HD2 LEU 25 9.795 2.523 12.977 234 HD22 LEU 25 1HD2 LEU 25 8.876 3.927 13.579 235 HD23 LEU 25 2HD2 LEU 25 9.699 3.991 12.003 236 H VAL 26 H VAL 26 5.915 -1.058 13.969 237 HA VAL 26 HA VAL 26 4.245 -0.208 16.093 238 HB VAL 26 HB VAL 26 3.722 -1.930 14.381 239 HG11 VAL 26 1HG1 VAL 26 5.174 -3.922 16.168 240 HG12 VAL 26 2HG1 VAL 26 4.275 -4.251 14.676 241 HG13 VAL 26 3HG1 VAL 26 5.789 -3.344 14.603 242 HG21 VAL 26 3HG2 VAL 26 2.247 -3.246 15.741 243 HG22 VAL 26 1HG2 VAL 26 3.158 -2.845 17.211 244 HG23 VAL 26 2HG2 VAL 26 2.276 -1.576 16.326 245 H LYS 27 H LYS 27 7.249 -1.943 16.208 246 HA LYS 27 HA LYS 27 7.126 -2.505 19.103 247 HB2 LYS 27 1HB LYS 27 9.147 -3.736 18.773 248 HB3 LYS 27 2HB LYS 27 8.041 -4.105 17.459 249 HG2 LYS 27 1HG LYS 27 9.840 -3.787 16.122 250 HG3 LYS 27 2HG LYS 27 9.413 -2.100 16.269 251 HD2 LYS 27 1HD LYS 27 11.606 -1.906 16.752 252 HD3 LYS 27 2HD LYS 27 11.079 -2.211 18.400 253 HE2 LYS 27 1HE LYS 27 11.967 -4.412 16.472 254 HE3 LYS 27 2HE LYS 27 13.118 -3.509 17.453 255 HZ1 LYS 27 3HZ LYS 27 10.895 -5.121 18.589 256 HZ2 LYS 27 1HZ LYS 27 12.049 -4.330 19.446 257 HZ3 LYS 27 2HZ LYS 27 12.449 -5.597 18.507 258 H LYS 28 H LYS 28 8.277 0.117 17.206 259 HA LYS 28 HA LYS 28 10.284 1.099 19.129 260 HB2 LYS 28 1HB LYS 28 9.180 2.150 16.497 261 HB3 LYS 28 2HB LYS 28 10.114 3.179 17.589 262 HG2 LYS 28 1HG LYS 28 11.945 1.487 17.607 263 HG3 LYS 28 2HG LYS 28 11.076 0.552 16.380 264 HD2 LYS 28 1HD LYS 28 11.434 2.184 14.709 265 HD3 LYS 28 2HD LYS 28 11.727 3.479 15.889 266 HE2 LYS 28 1HE LYS 28 13.833 2.438 16.583 267 HE3 LYS 28 2HE LYS 28 13.579 1.094 15.463 268 HZ1 LYS 28 3HZ LYS 28 13.887 3.935 14.633 269 HZ2 LYS 28 1HZ LYS 28 13.753 2.656 13.622 270 HZ3 LYS 28 2HZ LYS 28 15.072 2.820 14.567 Start of MODEL 4 1 H1 LYS 1 1H LYS 1 -10.768 7.569 -5.745 2 H2 LYS 1 2H LYS 1 -11.369 8.079 -7.172 3 H3 LYS 1 3H LYS 1 -12.307 7.206 -6.153 4 HA LYS 1 HA LYS 1 -9.880 6.196 -7.511 5 HB2 LYS 1 1HB LYS 1 -10.267 5.247 -5.227 6 HB3 LYS 1 2HB LYS 1 -11.862 4.720 -5.737 7 HG2 LYS 1 1HG LYS 1 -10.441 3.429 -7.648 8 HG3 LYS 1 2HG LYS 1 -9.127 3.687 -6.514 9 HD2 LYS 1 1HD LYS 1 -10.034 1.529 -6.015 10 HD3 LYS 1 2HD LYS 1 -10.549 2.597 -4.720 11 HE2 LYS 1 1HE LYS 1 -12.386 1.164 -5.320 12 HE3 LYS 1 2HE LYS 1 -12.802 2.807 -5.797 13 HZ1 LYS 1 3HZ LYS 1 -13.303 1.067 -7.492 14 HZ2 LYS 1 1HZ LYS 1 -11.710 0.793 -7.690 15 HZ3 LYS 1 2HZ LYS 1 -12.355 2.257 -8.075 16 H LYS 2 H LYS 2 -10.887 7.087 -9.506 17 HA LYS 2 HA LYS 2 -12.488 5.034 -10.869 18 HB2 LYS 2 1HB LYS 2 -14.144 6.556 -9.668 19 HB3 LYS 2 2HB LYS 2 -13.641 7.852 -10.748 20 HG2 LYS 2 1HG LYS 2 -14.368 6.492 -12.698 21 HG3 LYS 2 2HG LYS 2 -14.769 5.142 -11.617 22 HD2 LYS 2 1HD LYS 2 -16.446 6.525 -10.457 23 HD3 LYS 2 2HD LYS 2 -16.070 7.905 -11.494 24 HE2 LYS 2 1HE LYS 2 -17.189 5.222 -12.440 25 HE3 LYS 2 2HE LYS 2 -18.145 6.673 -12.133 26 HZ1 LYS 2 3HZ LYS 2 -17.662 6.553 -14.464 27 HZ2 LYS 2 1HZ LYS 2 -16.058 6.393 -14.225 28 HZ3 LYS 2 2HZ LYS 2 -16.804 7.806 -13.868 29 H LYS 3 H LYS 3 -10.349 4.984 -11.738 30 HA LYS 3 HA LYS 3 -9.837 6.914 -14.004 31 HB2 LYS 3 1HB LYS 3 -7.840 5.590 -12.121 32 HB3 LYS 3 2HB LYS 3 -7.379 6.379 -13.622 33 HG2 LYS 3 1HG LYS 3 -8.823 7.803 -11.340 34 HG3 LYS 3 2HG LYS 3 -7.078 7.714 -11.531 35 HD2 LYS 3 1HD LYS 3 -7.873 8.636 -14.045 36 HD3 LYS 3 2HD LYS 3 -9.045 9.407 -12.961 37 HE2 LYS 3 1HE LYS 3 -7.167 10.259 -11.561 38 HE3 LYS 3 2HE LYS 3 -6.007 9.451 -12.622 39 HZ1 LYS 3 3HZ LYS 3 -6.267 11.816 -13.163 40 HZ2 LYS 3 1HZ LYS 3 -7.848 11.608 -13.506 41 HZ3 LYS 3 2HZ LYS 3 -6.705 10.890 -14.431 42 H ASN 4 H ASN 4 -8.519 3.767 -12.987 43 HA ASN 4 HA ASN 4 -9.660 2.383 -15.297 44 HB2 ASN 4 1HB ASN 4 -7.087 3.563 -15.588 45 HB3 ASN 4 2HB ASN 4 -6.737 1.897 -15.174 46 HD21 ASN 4 2HD2 ASN 4 -8.470 3.987 -17.467 47 HD22 ASN 4 1HD2 ASN 4 -8.483 2.789 -18.759 48 H TRP 5 H TRP 5 -9.873 0.179 -14.885 49 HA TRP 5 HA TRP 5 -9.597 -0.846 -12.237 50 HB2 TRP 5 1HB TRP 5 -10.250 -2.940 -13.157 51 HB3 TRP 5 2HB TRP 5 -11.164 -1.695 -13.988 52 HD1 TRP 5 HD1 TRP 5 -10.252 -1.093 -16.562 53 HE1 TRP 5 HE1 TRP 5 -9.179 -2.604 -18.337 54 HE3 TRP 5 HE3 TRP 5 -8.867 -5.029 -13.572 55 HZ2 TRP 5 HZ2 TRP 5 -7.916 -5.181 -18.464 56 HZ3 TRP 5 HZ3 TRP 5 -7.750 -7.018 -14.566 57 HH2 TRP 5 HH2 TRP 5 -7.270 -7.105 -17.001 58 H PHE 6 H PHE 6 -7.398 -1.000 -15.011 59 HA PHE 6 HA PHE 6 -5.497 -2.793 -13.789 60 HB2 PHE 6 1HB PHE 6 -5.916 -2.184 -16.293 61 HB3 PHE 6 2HB PHE 6 -4.832 -0.833 -15.994 62 HD1 PHE 6 HD1 PHE 6 -2.410 -1.305 -15.387 63 HD2 PHE 6 HD2 PHE 6 -5.167 -4.466 -16.400 64 HE1 PHE 6 HE1 PHE 6 -0.506 -2.867 -15.709 65 HE2 PHE 6 HE2 PHE 6 -3.260 -6.021 -16.731 66 HZ PHE 6 HZ PHE 6 -0.926 -5.226 -16.381 67 H ASP 7 H ASP 7 -5.891 0.730 -13.616 68 HA ASP 7 HA ASP 7 -3.240 1.306 -12.575 69 HB2 ASP 7 1HB ASP 7 -5.848 2.838 -12.720 70 HB3 ASP 7 2HB ASP 7 -4.524 3.422 -11.729 71 H ILE 8 H ILE 8 -6.081 -0.027 -11.104 72 HA ILE 8 HA ILE 8 -5.603 0.644 -8.362 73 HB ILE 8 HB ILE 8 -6.909 -1.861 -9.469 74 HG12 ILE 8 1HG1 ILE 8 -8.055 0.029 -10.446 75 HG13 ILE 8 2HG1 ILE 8 -9.062 -0.685 -9.211 76 HG21 ILE 8 1HG2 ILE 8 -7.068 -0.546 -6.731 77 HG22 ILE 8 2HG2 ILE 8 -8.218 -1.772 -7.309 78 HG23 ILE 8 3HG2 ILE 8 -6.515 -2.183 -7.129 79 HD11 ILE 8 3HD1 ILE 8 -7.463 1.904 -8.960 80 HD12 ILE 8 1HD1 ILE 8 -9.218 1.734 -9.106 81 HD13 ILE 8 2HD1 ILE 8 -8.397 1.166 -7.640 82 H THR 9 H THR 9 -3.926 -1.673 -10.433 83 HA THR 9 HA THR 9 -2.758 -3.269 -8.334 84 HB THR 9 HB THR 9 -1.112 -3.980 -9.924 85 HG1 THR 9 HG1 THR 9 -1.206 -2.975 -12.062 86 HG21 THR 9 3HG2 THR 9 -3.745 -3.609 -11.426 87 HG22 THR 9 1HG2 THR 9 -3.411 -4.885 -10.238 88 HG23 THR 9 2HG2 THR 9 -2.490 -4.816 -11.751 89 H ASN 10 H ASN 10 -1.956 -0.082 -9.608 90 HA ASN 10 HA ASN 10 0.606 0.158 -8.285 91 HB2 ASN 10 1HB ASN 10 -0.348 1.444 -10.348 92 HB3 ASN 10 2HB ASN 10 -1.175 2.460 -9.165 93 HD21 ASN 10 2HD2 ASN 10 1.992 1.354 -10.342 94 HD22 ASN 10 1HD2 ASN 10 2.889 2.699 -9.642 95 H TRP 11 H TRP 11 -2.739 0.957 -7.348 96 HA TRP 11 HA TRP 11 -2.117 2.397 -4.918 97 HB2 TRP 11 1HB TRP 11 -4.569 0.879 -5.870 98 HB3 TRP 11 2HB TRP 11 -4.467 1.559 -4.263 99 HD1 TRP 11 HD1 TRP 11 -4.688 2.675 -7.919 100 HE1 TRP 11 HE1 TRP 11 -5.467 5.128 -7.987 101 HE3 TRP 11 HE3 TRP 11 -4.427 3.755 -2.917 102 HZ2 TRP 11 HZ2 TRP 11 -5.917 7.274 -6.119 103 HZ3 TRP 11 HZ3 TRP 11 -5.018 6.025 -2.089 104 HH2 TRP 11 HH2 TRP 11 -5.765 7.786 -3.674 105 H LEU 12 H LEU 12 -2.606 -1.066 -5.584 106 HA LEU 12 HA LEU 12 -2.436 -2.072 -2.949 107 HB2 LEU 12 1HB LEU 12 -2.799 -3.182 -5.372 108 HB3 LEU 12 2HB LEU 12 -1.107 -3.611 -5.150 109 HG LEU 12 HG LEU 12 -3.438 -4.291 -3.286 110 HD11 LEU 12 1HD1 LEU 12 -3.509 -5.533 -5.375 111 HD12 LEU 12 2HD1 LEU 12 -3.007 -6.618 -4.070 112 HD13 LEU 12 3HD1 LEU 12 -1.796 -5.987 -5.209 113 HD21 LEU 12 3HD2 LEU 12 -0.501 -5.071 -3.075 114 HD22 LEU 12 1HD2 LEU 12 -1.819 -5.889 -2.204 115 HD23 LEU 12 2HD2 LEU 12 -1.491 -4.198 -1.876 116 H TRP 13 H TRP 13 0.209 -1.051 -5.109 117 HA TRP 13 HA TRP 13 2.411 -1.927 -3.592 118 HB2 TRP 13 1HB TRP 13 2.198 -0.666 -5.923 119 HB3 TRP 13 2HB TRP 13 2.506 0.761 -4.946 120 HD1 TRP 13 HD1 TRP 13 4.034 -2.491 -6.138 121 HE1 TRP 13 HE1 TRP 13 6.610 -2.426 -5.906 122 HE3 TRP 13 HE3 TRP 13 4.521 1.922 -3.569 123 HZ2 TRP 13 HZ2 TRP 13 8.592 -0.709 -4.743 124 HZ3 TRP 13 HZ3 TRP 13 6.783 2.764 -2.947 125 HH2 TRP 13 HH2 TRP 13 8.812 1.453 -3.505 126 H TYR 14 H TYR 14 0.562 1.136 -3.206 127 HA TYR 14 HA TYR 14 2.147 2.114 -0.977 128 HB2 TYR 14 1HB TYR 14 0.782 3.600 -2.387 129 HB3 TYR 14 2HB TYR 14 -0.687 2.815 -1.824 130 HD1 TYR 14 HD1 TYR 14 2.080 5.100 -0.912 131 HD2 TYR 14 HD2 TYR 14 -1.546 3.200 0.466 132 HE1 TYR 14 HE1 TYR 14 2.009 6.644 1.040 133 HE2 TYR 14 HE2 TYR 14 -1.598 4.739 2.428 134 HH TYR 14 HH TYR 14 0.875 7.280 2.923 135 H ILE 15 H ILE 15 -0.917 0.292 -1.201 136 HA ILE 15 HA ILE 15 -1.541 0.176 1.569 137 HB ILE 15 HB ILE 15 -2.145 -1.847 -0.621 138 HG12 ILE 15 1HG1 ILE 15 -4.114 0.112 0.599 139 HG13 ILE 15 2HG1 ILE 15 -3.070 0.658 -0.701 140 HG21 ILE 15 1HG2 ILE 15 -2.398 -2.963 1.535 141 HG22 ILE 15 2HG2 ILE 15 -3.254 -1.562 2.210 142 HG23 ILE 15 3HG2 ILE 15 -4.010 -2.560 0.954 143 HD11 ILE 15 3HD1 ILE 15 -4.015 -0.768 -2.291 144 HD12 ILE 15 1HD1 ILE 15 -4.736 -1.847 -1.082 145 HD13 ILE 15 2HD1 ILE 15 -5.399 -0.223 -1.344 146 H LYS 16 H LYS 16 0.268 -2.266 -0.353 147 HA LYS 16 HA LYS 16 1.025 -3.868 1.921 148 HB2 LYS 16 1HB LYS 16 1.114 -4.128 -0.849 149 HB3 LYS 16 2HB LYS 16 2.818 -4.008 -0.448 150 HG2 LYS 16 1HG LYS 16 0.809 -5.974 0.761 151 HG3 LYS 16 2HG LYS 16 1.905 -6.316 -0.577 152 HD2 LYS 16 1HD LYS 16 3.843 -5.779 1.026 153 HD3 LYS 16 2HD LYS 16 2.638 -5.793 2.328 154 HE2 LYS 16 1HE LYS 16 2.110 -8.124 0.793 155 HE3 LYS 16 2HE LYS 16 3.868 -8.019 0.818 156 HZ1 LYS 16 3HZ LYS 16 2.106 -8.068 3.213 157 HZ2 LYS 16 1HZ LYS 16 3.739 -7.929 3.270 158 HZ3 LYS 16 2HZ LYS 16 3.047 -9.291 2.698 159 H LEU 17 H LEU 17 2.700 -1.205 0.281 160 HA LEU 17 HA LEU 17 5.171 -1.279 1.661 161 HB2 LEU 17 1HB LEU 17 4.845 0.091 -0.296 162 HB3 LEU 17 2HB LEU 17 3.566 1.009 0.497 163 HG LEU 17 HG LEU 17 5.231 1.960 2.081 164 HD11 LEU 17 1HD1 LEU 17 7.205 0.456 0.302 165 HD12 LEU 17 2HD1 LEU 17 6.988 0.278 2.059 166 HD13 LEU 17 3HD1 LEU 17 7.660 1.776 1.403 167 HD21 LEU 17 3HD2 LEU 17 4.545 3.132 0.025 168 HD22 LEU 17 1HD2 LEU 17 5.879 2.354 -0.852 169 HD23 LEU 17 2HD2 LEU 17 6.221 3.493 0.470 170 H PHE 18 H PHE 18 2.102 0.384 2.573 171 HA PHE 18 HA PHE 18 3.004 1.534 4.992 172 HB2 PHE 18 1HB PHE 18 0.778 1.857 3.781 173 HB3 PHE 18 2HB PHE 18 0.227 0.376 4.549 174 HD1 PHE 18 HD1 PHE 18 1.257 3.893 5.070 175 HD2 PHE 18 HD2 PHE 18 -0.241 0.326 6.986 176 HE1 PHE 18 HE1 PHE 18 0.684 5.220 7.089 177 HE2 PHE 18 HE2 PHE 18 -0.821 1.662 9.002 178 HZ PHE 18 HZ PHE 18 -0.359 4.109 9.055 179 H ILE 19 H ILE 19 1.714 -1.763 4.442 180 HA ILE 19 HA ILE 19 1.835 -2.618 7.162 181 HB ILE 19 HB ILE 19 2.135 -4.421 4.735 182 HG12 ILE 19 1HG1 ILE 19 -0.461 -3.656 6.152 183 HG13 ILE 19 2HG1 ILE 19 0.068 -2.929 4.649 184 HG21 ILE 19 1HG2 ILE 19 1.288 -4.866 7.636 185 HG22 ILE 19 2HG2 ILE 19 1.037 -6.075 6.364 186 HG23 ILE 19 3HG2 ILE 19 2.675 -5.590 6.794 187 HD11 ILE 19 3HD1 ILE 19 -1.227 -5.505 5.045 188 HD12 ILE 19 1HD1 ILE 19 -1.037 -4.535 3.571 189 HD13 ILE 19 2HD1 ILE 19 0.244 -5.654 4.061 190 H MET 20 H MET 20 4.302 -3.111 4.550 191 HA MET 20 HA MET 20 6.146 -4.467 6.266 192 HB2 MET 20 1HB MET 20 7.854 -4.101 4.604 193 HB3 MET 20 2HB MET 20 6.329 -4.548 3.823 194 HG2 MET 20 1HG MET 20 5.903 -2.271 3.239 195 HG3 MET 20 2HG MET 20 7.356 -1.705 4.063 196 HE1 MET 20 3HE MET 20 6.977 -3.709 -0.030 197 HE2 MET 20 1HE MET 20 7.136 -4.877 1.301 198 HE3 MET 20 2HE MET 20 5.787 -3.715 1.291 199 H ILE 21 H ILE 21 5.679 -0.983 5.798 200 HA ILE 21 HA ILE 21 7.984 -0.163 7.374 201 HB ILE 21 HB ILE 21 5.426 1.290 6.595 202 HG12 ILE 21 1HG1 ILE 21 8.246 1.787 5.554 203 HG13 ILE 21 2HG1 ILE 21 7.173 0.629 4.782 204 HG21 ILE 21 1HG2 ILE 21 7.860 2.201 8.170 205 HG22 ILE 21 2HG2 ILE 21 6.887 3.362 7.259 206 HG23 ILE 21 3HG2 ILE 21 6.128 2.420 8.532 207 HD11 ILE 21 3HD1 ILE 21 6.991 2.736 3.615 208 HD12 ILE 21 1HD1 ILE 21 5.458 2.411 4.450 209 HD13 ILE 21 2HD1 ILE 21 6.598 3.605 5.100 210 H VAL 22 H VAL 22 4.463 -0.328 8.162 211 HA VAL 22 HA VAL 22 4.704 0.275 10.941 212 HB VAL 22 HB VAL 22 2.628 -1.403 9.510 213 HG11 VAL 22 1HG1 VAL 22 1.120 -0.743 11.414 214 HG12 VAL 22 2HG1 VAL 22 2.394 -1.877 11.884 215 HG13 VAL 22 3HG1 VAL 22 2.547 -0.150 12.288 216 HG21 VAL 22 3HG2 VAL 22 1.318 0.620 9.447 217 HG22 VAL 22 1HG2 VAL 22 2.448 1.497 10.500 218 HG23 VAL 22 2HG2 VAL 22 2.905 1.106 8.842 219 H GLY 23 H GLY 23 5.015 -2.873 9.271 220 HA2 GLY 23 1HA GLY 23 5.074 -4.566 11.464 221 HA3 GLY 23 2HA GLY 23 6.021 -4.830 9.994 222 H GLY 24 H GLY 24 7.543 -2.254 10.567 223 HA2 GLY 24 1HA GLY 24 9.438 -3.233 12.679 224 HA3 GLY 24 2HA GLY 24 9.868 -2.225 11.305 225 H LEU 25 H LEU 25 7.331 -0.528 11.841 226 HA LEU 25 HA LEU 25 8.518 1.224 13.927 227 HB2 LEU 25 1HB LEU 25 6.186 1.658 12.027 228 HB3 LEU 25 2HB LEU 25 6.783 2.840 13.183 229 HG LEU 25 HG LEU 25 8.260 1.795 10.738 230 HD11 LEU 25 1HD1 LEU 25 7.362 4.599 11.540 231 HD12 LEU 25 2HD1 LEU 25 6.454 3.536 10.455 232 HD13 LEU 25 3HD1 LEU 25 8.073 4.098 9.989 233 HD21 LEU 25 3HD2 LEU 25 10.010 3.480 11.327 234 HD22 LEU 25 1HD2 LEU 25 9.948 2.122 12.451 235 HD23 LEU 25 2HD2 LEU 25 9.233 3.692 12.912 236 H VAL 26 H VAL 26 5.763 -0.945 13.698 237 HA VAL 26 HA VAL 26 4.166 0.150 15.782 238 HB VAL 26 HB VAL 26 3.460 -1.554 14.127 239 HG11 VAL 26 1HG1 VAL 26 3.823 -3.902 14.427 240 HG12 VAL 26 2HG1 VAL 26 5.420 -3.148 14.391 241 HG13 VAL 26 3HG1 VAL 26 4.716 -3.656 15.940 242 HG21 VAL 26 3HG2 VAL 26 1.888 -2.695 15.524 243 HG22 VAL 26 1HG2 VAL 26 2.866 -2.395 16.976 244 HG23 VAL 26 2HG2 VAL 26 2.100 -1.039 16.113 245 H LYS 27 H LYS 27 6.970 -1.893 15.926 246 HA LYS 27 HA LYS 27 6.805 -2.432 18.812 247 HB2 LYS 27 1HB LYS 27 8.657 -3.851 18.475 248 HB3 LYS 27 2HB LYS 27 7.672 -4.015 17.020 249 HG2 LYS 27 1HG LYS 27 9.277 -2.078 16.113 250 HG3 LYS 27 2HG LYS 27 10.347 -2.641 17.395 251 HD2 LYS 27 1HD LYS 27 9.269 -4.178 15.013 252 HD3 LYS 27 2HD LYS 27 10.926 -3.646 15.308 253 HE2 LYS 27 1HE LYS 27 11.416 -5.570 16.364 254 HE3 LYS 27 2HE LYS 27 10.182 -5.230 17.574 255 HZ1 LYS 27 3HZ LYS 27 8.547 -6.293 16.044 256 HZ2 LYS 27 1HZ LYS 27 9.713 -7.330 16.514 257 HZ3 LYS 27 2HZ LYS 27 9.757 -6.686 15.017 258 H LYS 28 H LYS 28 8.337 -0.020 16.844 259 HA LYS 28 HA LYS 28 10.517 0.727 18.521 260 HB2 LYS 28 1HB LYS 28 9.001 2.184 16.342 261 HB3 LYS 28 2HB LYS 28 10.146 3.060 17.347 262 HG2 LYS 28 1HG LYS 28 11.923 1.354 16.750 263 HG3 LYS 28 2HG LYS 28 10.764 0.629 15.638 264 HD2 LYS 28 1HD LYS 28 11.665 2.004 14.104 265 HD3 LYS 28 2HD LYS 28 10.644 3.252 14.808 266 HE2 LYS 28 1HE LYS 28 13.577 2.685 15.454 267 HE3 LYS 28 2HE LYS 28 12.969 3.994 14.443 268 HZ1 LYS 28 3HZ LYS 28 12.469 3.719 17.356 269 HZ2 LYS 28 1HZ LYS 28 11.851 4.912 16.414 270 HZ3 LYS 28 2HZ LYS 28 13.459 4.801 16.650 Start of MODEL 5 1 H1 LYS 1 1H LYS 1 -9.898 9.496 -9.999 2 H2 LYS 1 2H LYS 1 -10.809 8.645 -11.046 3 H3 LYS 1 3H LYS 1 -11.184 8.663 -9.449 4 HA LYS 1 HA LYS 1 -8.688 7.595 -10.582 5 HB2 LYS 1 1HB LYS 1 -8.091 6.693 -8.499 6 HB3 LYS 1 2HB LYS 1 -8.500 8.380 -8.237 7 HG2 LYS 1 1HG LYS 1 -10.756 7.630 -7.346 8 HG3 LYS 1 2HG LYS 1 -10.207 5.952 -7.546 9 HD2 LYS 1 1HD LYS 1 -8.237 6.553 -6.012 10 HD3 LYS 1 2HD LYS 1 -9.128 8.048 -5.643 11 HE2 LYS 1 1HE LYS 1 -11.142 6.553 -5.093 12 HE3 LYS 1 2HE LYS 1 -10.062 5.163 -5.261 13 HZ1 LYS 1 3HZ LYS 1 -8.690 6.148 -3.462 14 HZ2 LYS 1 1HZ LYS 1 -10.203 5.813 -2.953 15 HZ3 LYS 1 2HZ LYS 1 -9.779 7.353 -3.274 16 H LYS 2 H LYS 2 -11.878 6.414 -9.318 17 HA LYS 2 HA LYS 2 -11.314 3.670 -9.883 18 HB2 LYS 2 1HB LYS 2 -14.013 5.019 -9.474 19 HB3 LYS 2 2HB LYS 2 -13.674 3.285 -9.425 20 HG2 LYS 2 1HG LYS 2 -12.033 3.754 -7.523 21 HG3 LYS 2 2HG LYS 2 -12.663 5.412 -7.495 22 HD2 LYS 2 1HD LYS 2 -14.965 4.490 -7.103 23 HD3 LYS 2 2HD LYS 2 -14.259 2.860 -7.015 24 HE2 LYS 2 1HE LYS 2 -12.828 3.580 -5.117 25 HE3 LYS 2 2HE LYS 2 -13.509 5.210 -5.213 26 HZ1 LYS 2 3HZ LYS 2 -15.688 4.264 -4.669 27 HZ2 LYS 2 1HZ LYS 2 -14.614 3.894 -3.500 28 HZ3 LYS 2 2HZ LYS 2 -15.062 2.757 -4.578 29 H LYS 3 H LYS 3 -10.612 3.369 -11.860 30 HA LYS 3 HA LYS 3 -12.446 3.592 -14.242 31 HB2 LYS 3 1HB LYS 3 -9.580 4.382 -13.820 32 HB3 LYS 3 2HB LYS 3 -9.936 3.610 -15.349 33 HG2 LYS 3 1HG LYS 3 -11.575 5.984 -14.410 34 HG3 LYS 3 2HG LYS 3 -10.008 6.166 -15.201 35 HD2 LYS 3 1HD LYS 3 -10.975 4.639 -17.094 36 HD3 LYS 3 2HD LYS 3 -12.543 4.952 -16.347 37 HE2 LYS 3 1HE LYS 3 -12.383 6.588 -18.025 38 HE3 LYS 3 2HE LYS 3 -11.964 7.462 -16.549 39 HZ1 LYS 3 3HZ LYS 3 -9.589 7.140 -17.175 40 HZ2 LYS 3 1HZ LYS 3 -10.397 7.965 -18.325 41 HZ3 LYS 3 2HZ LYS 3 -10.039 6.395 -18.559 42 H ASN 4 H ASN 4 -9.343 1.975 -13.662 43 HA ASN 4 HA ASN 4 -10.518 -0.691 -14.329 44 HB2 ASN 4 1HB ASN 4 -7.965 0.511 -15.509 45 HB3 ASN 4 2HB ASN 4 -8.591 -1.105 -15.828 46 HD21 ASN 4 2HD2 ASN 4 -8.231 1.741 -17.345 47 HD22 ASN 4 1HD2 ASN 4 -9.677 1.682 -18.346 48 H TRP 5 H TRP 5 -9.244 -2.481 -13.597 49 HA TRP 5 HA TRP 5 -8.026 -2.301 -11.052 50 HB2 TRP 5 1HB TRP 5 -7.424 -4.596 -11.363 51 HB3 TRP 5 2HB TRP 5 -9.016 -4.344 -12.057 52 HD1 TRP 5 HD1 TRP 5 -9.253 -4.617 -14.706 53 HE1 TRP 5 HE1 TRP 5 -7.752 -5.659 -16.519 54 HE3 TRP 5 HE3 TRP 5 -4.897 -5.032 -12.030 55 HZ2 TRP 5 HZ2 TRP 5 -5.026 -6.541 -16.780 56 HZ3 TRP 5 HZ3 TRP 5 -2.860 -5.986 -13.092 57 HH2 TRP 5 HH2 TRP 5 -2.911 -6.738 -15.459 58 H PHE 6 H PHE 6 -6.583 -1.961 -14.223 59 HA PHE 6 HA PHE 6 -3.839 -2.182 -13.605 60 HB2 PHE 6 1HB PHE 6 -5.415 -1.534 -15.862 61 HB3 PHE 6 2HB PHE 6 -4.382 -0.143 -15.635 62 HD1 PHE 6 HD1 PHE 6 -1.774 -0.798 -15.110 63 HD2 PHE 6 HD2 PHE 6 -4.623 -3.270 -17.210 64 HE1 PHE 6 HE1 PHE 6 0.085 -2.020 -16.196 65 HE2 PHE 6 HE2 PHE 6 -2.756 -4.474 -18.312 66 HZ PHE 6 HZ PHE 6 -0.398 -3.857 -17.804 67 H ASP 7 H ASP 7 -6.024 0.436 -12.780 68 HA ASP 7 HA ASP 7 -3.750 2.214 -12.014 69 HB2 ASP 7 1HB ASP 7 -5.739 3.140 -13.236 70 HB3 ASP 7 2HB ASP 7 -6.735 2.743 -11.832 71 H ILE 8 H ILE 8 -6.444 0.375 -10.594 72 HA ILE 8 HA ILE 8 -6.048 1.055 -7.855 73 HB ILE 8 HB ILE 8 -7.033 -1.592 -8.977 74 HG12 ILE 8 1HG1 ILE 8 -8.416 0.140 -9.924 75 HG13 ILE 8 2HG1 ILE 8 -9.315 -0.711 -8.692 76 HG21 ILE 8 1HG2 ILE 8 -8.288 -1.744 -6.813 77 HG22 ILE 8 2HG2 ILE 8 -6.538 -1.841 -6.624 78 HG23 ILE 8 3HG2 ILE 8 -7.381 -0.332 -6.227 79 HD11 ILE 8 3HD1 ILE 8 -8.052 2.055 -8.392 80 HD12 ILE 8 1HD1 ILE 8 -9.771 1.685 -8.597 81 HD13 ILE 8 2HD1 ILE 8 -8.942 1.192 -7.111 82 H THR 9 H THR 9 -4.506 -1.557 -9.777 83 HA THR 9 HA THR 9 -2.966 -2.650 -7.646 84 HB THR 9 HB THR 9 -3.333 -3.729 -9.839 85 HG1 THR 9 HG1 THR 9 -1.750 -4.556 -8.540 86 HG21 THR 9 3HG2 THR 9 -1.907 -3.290 -11.733 87 HG22 THR 9 1HG2 THR 9 -1.071 -1.976 -10.883 88 HG23 THR 9 2HG2 THR 9 -2.784 -1.809 -11.324 89 H ASN 10 H ASN 10 -2.327 0.260 -9.559 90 HA ASN 10 HA ASN 10 0.412 0.620 -8.617 91 HB2 ASN 10 1HB ASN 10 -1.538 2.700 -9.704 92 HB3 ASN 10 2HB ASN 10 0.194 2.904 -9.482 93 HD21 ASN 10 2HD2 ASN 10 -1.458 3.121 -11.954 94 HD22 ASN 10 1HD2 ASN 10 -0.759 1.928 -13.041 95 H TRP 11 H TRP 11 -2.762 2.007 -7.665 96 HA TRP 11 HA TRP 11 -1.815 3.490 -5.404 97 HB2 TRP 11 1HB TRP 11 -4.537 2.351 -6.118 98 HB3 TRP 11 2HB TRP 11 -4.246 3.265 -4.642 99 HD1 TRP 11 HD1 TRP 11 -5.215 3.796 -8.131 100 HE1 TRP 11 HE1 TRP 11 -5.070 6.250 -8.804 101 HE3 TRP 11 HE3 TRP 11 -2.544 5.549 -4.124 102 HZ2 TRP 11 HZ2 TRP 11 -3.943 8.709 -7.719 103 HZ3 TRP 11 HZ3 TRP 11 -1.927 7.953 -3.980 104 HH2 TRP 11 HH2 TRP 11 -2.618 9.537 -5.765 105 H LEU 12 H LEU 12 -2.941 0.105 -5.602 106 HA LEU 12 HA LEU 12 -3.048 -0.488 -2.883 107 HB2 LEU 12 1HB LEU 12 -3.700 -1.886 -4.878 108 HB3 LEU 12 2HB LEU 12 -2.024 -2.386 -5.035 109 HG LEU 12 HG LEU 12 -3.219 -2.699 -2.296 110 HD11 LEU 12 1HD1 LEU 12 -4.481 -4.720 -2.890 111 HD12 LEU 12 2HD1 LEU 12 -4.163 -4.426 -4.618 112 HD13 LEU 12 3HD1 LEU 12 -5.155 -3.287 -3.680 113 HD21 LEU 12 3HD2 LEU 12 -2.093 -4.877 -2.390 114 HD22 LEU 12 1HD2 LEU 12 -0.967 -3.596 -2.866 115 HD23 LEU 12 2HD2 LEU 12 -1.705 -4.634 -4.107 116 H TRP 13 H TRP 13 -0.156 -0.294 -4.899 117 HA TRP 13 HA TRP 13 1.776 -1.265 -3.051 118 HB2 TRP 13 1HB TRP 13 1.805 -0.478 -5.658 119 HB3 TRP 13 2HB TRP 13 2.573 0.916 -4.925 120 HD1 TRP 13 HD1 TRP 13 2.903 -2.910 -5.136 121 HE1 TRP 13 HE1 TRP 13 5.388 -3.586 -5.025 122 HE3 TRP 13 HE3 TRP 13 4.978 1.704 -4.288 123 HZ2 TRP 13 HZ2 TRP 13 7.923 -2.304 -4.633 124 HZ3 TRP 13 HZ3 TRP 13 7.449 1.942 -4.073 125 HH2 TRP 13 HH2 TRP 13 8.924 -0.046 -4.237 126 H TYR 14 H TYR 14 0.358 1.998 -3.345 127 HA TYR 14 HA TYR 14 2.153 3.348 -1.537 128 HB2 TYR 14 1HB TYR 14 0.723 4.590 -3.059 129 HB3 TYR 14 2HB TYR 14 -0.724 3.941 -2.307 130 HD1 TYR 14 HD1 TYR 14 2.201 6.183 -1.723 131 HD2 TYR 14 HD2 TYR 14 -1.679 4.888 -0.336 132 HE1 TYR 14 HE1 TYR 14 2.140 8.075 -0.092 133 HE2 TYR 14 HE2 TYR 14 -1.730 6.769 1.285 134 HH TYR 14 HH TYR 14 -0.626 8.585 2.127 135 H ILE 15 H ILE 15 -0.972 1.667 -0.984 136 HA ILE 15 HA ILE 15 -0.905 2.071 1.897 137 HB ILE 15 HB ILE 15 -2.426 -0.077 0.359 138 HG12 ILE 15 1HG1 ILE 15 -4.414 1.476 1.004 139 HG13 ILE 15 2HG1 ILE 15 -3.218 2.750 1.215 140 HG21 ILE 15 1HG2 ILE 15 -2.729 0.995 3.204 141 HG22 ILE 15 2HG2 ILE 15 -3.820 -0.167 2.421 142 HG23 ILE 15 3HG2 ILE 15 -2.159 -0.627 2.757 143 HD11 ILE 15 3HD1 ILE 15 -2.739 2.764 -1.133 144 HD12 ILE 15 1HD1 ILE 15 -3.509 1.171 -1.375 145 HD13 ILE 15 2HD1 ILE 15 -4.492 2.599 -1.016 146 H LYS 16 H LYS 16 0.147 -0.628 -0.223 147 HA LYS 16 HA LYS 16 1.061 -2.377 1.797 148 HB2 LYS 16 1HB LYS 16 1.142 -2.293 -1.040 149 HB3 LYS 16 2HB LYS 16 2.810 -2.512 -0.553 150 HG2 LYS 16 1HG LYS 16 0.503 -4.197 0.525 151 HG3 LYS 16 2HG LYS 16 1.377 -4.597 -0.953 152 HD2 LYS 16 1HD LYS 16 3.463 -4.903 0.236 153 HD3 LYS 16 2HD LYS 16 2.781 -4.247 1.725 154 HE2 LYS 16 1HE LYS 16 2.929 -6.647 1.910 155 HE3 LYS 16 2HE LYS 16 1.242 -6.133 1.939 156 HZ1 LYS 16 3HZ LYS 16 2.630 -7.254 -0.444 157 HZ2 LYS 16 1HZ LYS 16 1.049 -6.829 -0.385 158 HZ3 LYS 16 2HZ LYS 16 1.593 -8.076 0.508 159 H LEU 17 H LEU 17 2.837 0.349 0.390 160 HA LEU 17 HA LEU 17 5.310 -0.071 1.729 161 HB2 LEU 17 1HB LEU 17 3.897 2.440 0.786 162 HB3 LEU 17 2HB LEU 17 5.447 2.537 1.608 163 HG LEU 17 HG LEU 17 5.087 0.781 -0.846 164 HD11 LEU 17 1HD1 LEU 17 4.459 3.051 -1.503 165 HD12 LEU 17 2HD1 LEU 17 6.071 2.681 -2.132 166 HD13 LEU 17 3HD1 LEU 17 5.899 3.719 -0.702 167 HD21 LEU 17 3HD2 LEU 17 7.444 0.826 -0.998 168 HD22 LEU 17 1HD2 LEU 17 7.143 0.588 0.727 169 HD23 LEU 17 2HD2 LEU 17 7.596 2.190 0.135 170 H PHE 18 H PHE 18 2.368 1.607 2.928 171 HA PHE 18 HA PHE 18 3.464 2.351 5.487 172 HB2 PHE 18 1HB PHE 18 1.409 3.336 4.605 173 HB3 PHE 18 2HB PHE 18 0.594 1.785 4.658 174 HD1 PHE 18 HD1 PHE 18 2.153 4.414 6.818 175 HD2 PHE 18 HD2 PHE 18 -0.494 1.009 6.637 176 HE1 PHE 18 HE1 PHE 18 1.338 4.917 9.112 177 HE2 PHE 18 HE2 PHE 18 -1.293 1.512 8.936 178 HZ PHE 18 HZ PHE 18 -0.400 3.482 10.162 179 H ILE 19 H ILE 19 1.665 -0.581 4.455 180 HA ILE 19 HA ILE 19 1.695 -1.923 6.958 181 HB ILE 19 HB ILE 19 1.852 -3.293 4.247 182 HG12 ILE 19 1HG1 ILE 19 -0.629 -2.456 5.831 183 HG13 ILE 19 2HG1 ILE 19 -0.047 -1.654 4.381 184 HG21 ILE 19 1HG2 ILE 19 0.765 -4.246 6.944 185 HG22 ILE 19 2HG2 ILE 19 0.772 -5.182 5.436 186 HG23 ILE 19 3HG2 ILE 19 2.290 -4.784 6.213 187 HD11 ILE 19 3HD1 ILE 19 -1.812 -3.056 3.676 188 HD12 ILE 19 1HD1 ILE 19 -0.316 -3.829 3.118 189 HD13 ILE 19 2HD1 ILE 19 -1.175 -4.457 4.546 190 H MET 20 H MET 20 4.155 -2.228 4.313 191 HA MET 20 HA MET 20 5.806 -4.021 5.809 192 HB2 MET 20 1HB MET 20 7.547 -3.639 4.191 193 HB3 MET 20 2HB MET 20 5.981 -3.798 3.377 194 HG2 MET 20 1HG MET 20 5.821 -1.497 2.999 195 HG3 MET 20 2HG MET 20 7.255 -1.111 3.949 196 HE1 MET 20 3HE MET 20 10.227 -1.820 1.756 197 HE2 MET 20 1HE MET 20 9.539 -0.923 3.125 198 HE3 MET 20 2HE MET 20 9.655 -2.697 3.193 199 H ILE 21 H ILE 21 5.793 -0.470 5.829 200 HA ILE 21 HA ILE 21 8.197 -0.183 7.456 201 HB ILE 21 HB ILE 21 5.847 1.666 6.884 202 HG12 ILE 21 1HG1 ILE 21 8.744 1.905 5.945 203 HG13 ILE 21 2HG1 ILE 21 7.539 1.027 5.020 204 HG21 ILE 21 1HG2 ILE 21 8.424 2.255 8.417 205 HG22 ILE 21 2HG2 ILE 21 7.280 3.490 7.854 206 HG23 ILE 21 3HG2 ILE 21 6.762 2.322 9.051 207 HD11 ILE 21 3HD1 ILE 21 7.465 3.994 5.674 208 HD12 ILE 21 1HD1 ILE 21 7.673 3.225 4.094 209 HD13 ILE 21 2HD1 ILE 21 6.116 3.103 4.933 210 H VAL 22 H VAL 22 4.693 0.003 8.245 211 HA VAL 22 HA VAL 22 4.973 0.239 11.073 212 HB VAL 22 HB VAL 22 2.712 -0.903 9.407 213 HG11 VAL 22 1HG1 VAL 22 1.241 -0.346 11.346 214 HG12 VAL 22 2HG1 VAL 22 2.350 -1.677 11.691 215 HG13 VAL 22 3HG1 VAL 22 2.690 -0.053 12.335 216 HG21 VAL 22 3HG2 VAL 22 1.726 1.303 9.660 217 HG22 VAL 22 1HG2 VAL 22 2.990 1.825 10.790 218 HG23 VAL 22 2HG2 VAL 22 3.366 1.579 9.083 219 H GLY 23 H GLY 23 4.781 -2.692 9.033 220 HA2 GLY 23 1HA GLY 23 4.533 -4.625 11.001 221 HA3 GLY 23 2HA GLY 23 5.405 -4.865 9.484 222 H GLY 24 H GLY 24 7.371 -2.683 10.377 223 HA2 GLY 24 1HA GLY 24 9.068 -4.303 12.251 224 HA3 GLY 24 2HA GLY 24 9.665 -3.168 11.049 225 H LEU 25 H LEU 25 7.502 -1.149 11.893 226 HA LEU 25 HA LEU 25 8.972 0.008 14.189 227 HB2 LEU 25 1HB LEU 25 6.702 1.100 12.483 228 HB3 LEU 25 2HB LEU 25 7.480 1.970 13.799 229 HG LEU 25 HG LEU 25 8.780 1.124 11.178 230 HD11 LEU 25 1HD1 LEU 25 8.277 3.867 12.416 231 HD12 LEU 25 2HD1 LEU 25 7.262 3.124 11.167 232 HD13 LEU 25 3HD1 LEU 25 8.951 3.525 10.806 233 HD21 LEU 25 3HD2 LEU 25 10.024 2.501 13.595 234 HD22 LEU 25 1HD2 LEU 25 10.762 2.419 11.979 235 HD23 LEU 25 2HD2 LEU 25 10.502 0.934 12.894 236 H VAL 26 H VAL 26 5.806 -1.483 13.683 237 HA VAL 26 HA VAL 26 4.462 -0.509 15.955 238 HB VAL 26 HB VAL 26 3.477 -1.762 14.047 239 HG11 VAL 26 1HG1 VAL 26 3.326 -4.162 14.022 240 HG12 VAL 26 2HG1 VAL 26 5.041 -3.740 14.039 241 HG13 VAL 26 3HG1 VAL 26 4.251 -4.311 15.525 242 HG21 VAL 26 3HG2 VAL 26 2.641 -2.847 16.750 243 HG22 VAL 26 1HG2 VAL 26 2.176 -1.269 16.069 244 HG23 VAL 26 2HG2 VAL 26 1.667 -2.764 15.269 245 H LYS 27 H LYS 27 6.819 -3.062 15.766 246 HA LYS 27 HA LYS 27 6.427 -4.030 18.502 247 HB2 LYS 27 1HB LYS 27 8.058 -5.659 17.991 248 HB3 LYS 27 2HB LYS 27 7.083 -5.440 16.552 249 HG2 LYS 27 1HG LYS 27 9.091 -5.423 15.504 250 HG3 LYS 27 2HG LYS 27 9.078 -3.709 15.933 251 HD2 LYS 27 1HD LYS 27 10.391 -4.276 18.007 252 HD3 LYS 27 2HD LYS 27 10.431 -5.966 17.490 253 HE2 LYS 27 1HE LYS 27 11.703 -5.397 15.502 254 HE3 LYS 27 2HE LYS 27 11.479 -3.663 15.794 255 HZ1 LYS 27 3HZ LYS 27 12.789 -3.835 17.780 256 HZ2 LYS 27 1HZ LYS 27 13.669 -4.446 16.544 257 HZ3 LYS 27 2HZ LYS 27 12.976 -5.461 17.621 258 H LYS 28 H LYS 28 8.033 -1.343 17.308 259 HA LYS 28 HA LYS 28 9.873 -0.070 17.857 260 HB2 LYS 28 1HB LYS 28 8.357 -0.440 20.445 261 HB3 LYS 28 2HB LYS 28 9.759 0.608 20.384 262 HG2 LYS 28 1HG LYS 28 7.366 1.011 18.530 263 HG3 LYS 28 2HG LYS 28 7.494 1.695 20.143 264 HD2 LYS 28 1HD LYS 28 8.338 3.471 19.019 265 HD3 LYS 28 2HD LYS 28 9.840 2.600 19.296 266 HE2 LYS 28 1HE LYS 28 9.293 1.525 16.916 267 HE3 LYS 28 2HE LYS 28 8.197 2.894 16.764 268 HZ1 LYS 28 3HZ LYS 28 10.366 3.474 15.871 269 HZ2 LYS 28 1HZ LYS 28 11.128 3.063 17.253 270 HZ3 LYS 28 2HZ LYS 28 10.137 4.360 17.221 Start of MODEL 6 1 H1 LYS 1 1H LYS 1 -11.848 5.413 -9.708 2 H2 LYS 1 2H LYS 1 -11.936 4.183 -8.643 3 H3 LYS 1 3H LYS 1 -11.020 4.020 -9.980 4 HA LYS 1 HA LYS 1 -13.022 2.754 -10.185 5 HB2 LYS 1 1HB LYS 1 -14.313 4.306 -8.667 6 HB3 LYS 1 2HB LYS 1 -14.615 5.347 -10.060 7 HG2 LYS 1 1HG LYS 1 -15.800 3.519 -11.208 8 HG3 LYS 1 2HG LYS 1 -15.244 2.362 -9.999 9 HD2 LYS 1 1HD LYS 1 -17.396 2.678 -9.265 10 HD3 LYS 1 2HD LYS 1 -16.531 3.824 -8.264 11 HE2 LYS 1 1HE LYS 1 -18.435 4.989 -8.966 12 HE3 LYS 1 2HE LYS 1 -17.159 5.624 -10.005 13 HZ1 LYS 1 3HZ LYS 1 -17.966 4.087 -11.758 14 HZ2 LYS 1 1HZ LYS 1 -19.187 5.051 -11.256 15 HZ3 LYS 1 2HZ LYS 1 -19.116 3.504 -10.758 16 H LYS 2 H LYS 2 -13.217 6.008 -11.794 17 HA LYS 2 HA LYS 2 -13.445 4.640 -14.401 18 HB2 LYS 2 1HB LYS 2 -13.559 7.604 -13.721 19 HB3 LYS 2 2HB LYS 2 -13.924 6.874 -15.278 20 HG2 LYS 2 1HG LYS 2 -16.059 6.709 -14.660 21 HG3 LYS 2 2HG LYS 2 -15.579 5.417 -13.577 22 HD2 LYS 2 1HD LYS 2 -16.855 6.927 -12.270 23 HD3 LYS 2 2HD LYS 2 -15.178 7.220 -11.785 24 HE2 LYS 2 1HE LYS 2 -15.099 9.182 -13.342 25 HE3 LYS 2 2HE LYS 2 -16.768 8.856 -13.820 26 HZ1 LYS 2 3HZ LYS 2 -17.437 9.270 -11.504 27 HZ2 LYS 2 1HZ LYS 2 -16.676 10.572 -12.118 28 HZ3 LYS 2 2HZ LYS 2 -15.892 9.596 -11.075 29 H LYS 3 H LYS 3 -10.808 6.033 -12.710 30 HA LYS 3 HA LYS 3 -9.173 6.776 -14.991 31 HB2 LYS 3 1HB LYS 3 -8.933 7.059 -12.189 32 HB3 LYS 3 2HB LYS 3 -7.685 5.894 -12.582 33 HG2 LYS 3 1HG LYS 3 -6.467 7.816 -12.938 34 HG3 LYS 3 2HG LYS 3 -7.139 7.646 -14.550 35 HD2 LYS 3 1HD LYS 3 -7.637 9.865 -14.142 36 HD3 LYS 3 2HD LYS 3 -9.131 9.129 -13.568 37 HE2 LYS 3 1HE LYS 3 -7.256 9.104 -11.374 38 HE3 LYS 3 2HE LYS 3 -7.086 10.677 -12.148 39 HZ1 LYS 3 3HZ LYS 3 -9.505 10.984 -11.876 40 HZ2 LYS 3 1HZ LYS 3 -8.772 10.761 -10.438 41 HZ3 LYS 3 2HZ LYS 3 -9.627 9.545 -11.103 42 H ASN 4 H ASN 4 -6.916 5.652 -15.224 43 HA ASN 4 HA ASN 4 -7.283 3.043 -16.368 44 HB2 ASN 4 1HB ASN 4 -4.771 4.572 -15.557 45 HB3 ASN 4 2HB ASN 4 -4.742 3.033 -16.414 46 HD21 ASN 4 2HD2 ASN 4 -3.867 5.842 -17.228 47 HD22 ASN 4 1HD2 ASN 4 -4.664 6.025 -18.787 48 H TRP 5 H TRP 5 -7.169 1.047 -15.548 49 HA TRP 5 HA TRP 5 -7.278 0.434 -12.827 50 HB2 TRP 5 1HB TRP 5 -7.153 -1.841 -13.463 51 HB3 TRP 5 2HB TRP 5 -8.009 -1.005 -14.745 52 HD1 TRP 5 HD1 TRP 5 -6.563 -0.595 -17.071 53 HE1 TRP 5 HE1 TRP 5 -4.658 -1.958 -18.132 54 HE3 TRP 5 HE3 TRP 5 -5.203 -3.411 -13.011 55 HZ2 TRP 5 HZ2 TRP 5 -2.768 -3.970 -17.323 56 HZ3 TRP 5 HZ3 TRP 5 -3.345 -5.061 -13.193 57 HH2 TRP 5 HH2 TRP 5 -2.120 -5.340 -15.332 58 H PHE 6 H PHE 6 -4.406 0.711 -14.815 59 HA PHE 6 HA PHE 6 -2.442 -0.463 -13.178 60 HB2 PHE 6 1HB PHE 6 -2.545 0.920 -15.604 61 HB3 PHE 6 2HB PHE 6 -1.611 2.002 -14.601 62 HD1 PHE 6 HD1 PHE 6 0.589 1.218 -13.631 63 HD2 PHE 6 HD2 PHE 6 -1.717 -1.212 -16.348 64 HE1 PHE 6 HE1 PHE 6 2.595 -0.178 -14.093 65 HE2 PHE 6 HE2 PHE 6 0.288 -2.602 -16.809 66 HZ PHE 6 HZ PHE 6 2.447 -2.085 -15.685 67 H ASP 7 H ASP 7 -3.994 2.704 -12.817 68 HA ASP 7 HA ASP 7 -2.148 3.594 -10.682 69 HB2 ASP 7 1HB ASP 7 -4.722 4.736 -11.844 70 HB3 ASP 7 2HB ASP 7 -3.885 5.434 -10.465 71 H ILE 8 H ILE 8 -5.296 2.032 -10.978 72 HA ILE 8 HA ILE 8 -6.068 2.280 -8.191 73 HB ILE 8 HB ILE 8 -7.084 0.287 -10.246 74 HG12 ILE 8 1HG1 ILE 8 -7.379 2.441 -11.256 75 HG13 ILE 8 2HG1 ILE 8 -8.930 1.888 -10.673 76 HG21 ILE 8 1HG2 ILE 8 -8.308 1.348 -7.666 77 HG22 ILE 8 2HG2 ILE 8 -9.166 0.360 -8.870 78 HG23 ILE 8 3HG2 ILE 8 -7.786 -0.313 -8.005 79 HD11 ILE 8 3HD1 ILE 8 -7.164 3.987 -9.321 80 HD12 ILE 8 1HD1 ILE 8 -8.627 4.286 -10.262 81 HD13 ILE 8 2HD1 ILE 8 -8.740 3.428 -8.711 82 H THR 9 H THR 9 -4.398 -0.320 -10.043 83 HA THR 9 HA THR 9 -4.257 -2.187 -7.869 84 HB THR 9 HB THR 9 -2.257 -3.122 -9.055 85 HG1 THR 9 HG1 THR 9 -1.812 -2.263 -11.094 86 HG21 THR 9 3HG2 THR 9 -4.537 -3.899 -9.573 87 HG22 THR 9 1HG2 THR 9 -3.504 -3.908 -11.011 88 HG23 THR 9 2HG2 THR 9 -4.708 -2.618 -10.791 89 H ASN 10 H ASN 10 -2.244 0.624 -8.609 90 HA ASN 10 HA ASN 10 -0.162 0.085 -6.698 91 HB2 ASN 10 1HB ASN 10 -1.143 2.564 -8.130 92 HB3 ASN 10 2HB ASN 10 -0.064 2.738 -6.758 93 HD21 ASN 10 2HD2 ASN 10 -0.263 1.336 -10.099 94 HD22 ASN 10 1HD2 ASN 10 1.484 1.182 -10.179 95 H TRP 11 H TRP 11 -3.345 1.674 -6.263 96 HA TRP 11 HA TRP 11 -2.951 2.361 -3.480 97 HB2 TRP 11 1HB TRP 11 -5.454 1.903 -5.144 98 HB3 TRP 11 2HB TRP 11 -5.503 2.289 -3.436 99 HD1 TRP 11 HD1 TRP 11 -4.938 3.889 -6.795 100 HE1 TRP 11 HE1 TRP 11 -4.692 6.434 -6.536 101 HE3 TRP 11 HE3 TRP 11 -4.678 4.150 -1.690 102 HZ2 TRP 11 HZ2 TRP 11 -4.504 8.346 -4.379 103 HZ3 TRP 11 HZ3 TRP 11 -4.481 6.355 -0.552 104 HH2 TRP 11 HH2 TRP 11 -4.397 8.452 -1.880 105 H LEU 12 H LEU 12 -4.395 -0.519 -5.031 106 HA LEU 12 HA LEU 12 -4.951 -1.974 -2.616 107 HB2 LEU 12 1HB LEU 12 -4.628 -2.628 -5.534 108 HB3 LEU 12 2HB LEU 12 -4.555 -3.966 -4.407 109 HG LEU 12 HG LEU 12 -6.822 -2.059 -3.944 110 HD11 LEU 12 1HD1 LEU 12 -6.780 -3.914 -6.354 111 HD12 LEU 12 2HD1 LEU 12 -6.855 -2.135 -6.378 112 HD13 LEU 12 3HD1 LEU 12 -8.205 -3.063 -5.710 113 HD21 LEU 12 3HD2 LEU 12 -6.480 -4.154 -2.630 114 HD22 LEU 12 1HD2 LEU 12 -6.659 -5.100 -4.122 115 HD23 LEU 12 2HD2 LEU 12 -8.023 -4.147 -3.503 116 H TRP 13 H TRP 13 -1.981 -1.939 -4.616 117 HA TRP 13 HA TRP 13 -0.558 -3.815 -2.998 118 HB2 TRP 13 1HB TRP 13 -0.050 -2.511 -5.357 119 HB3 TRP 13 2HB TRP 13 1.033 -1.649 -4.285 120 HD1 TRP 13 HD1 TRP 13 0.094 -5.355 -4.932 121 HE1 TRP 13 HE1 TRP 13 2.235 -6.780 -5.083 122 HE3 TRP 13 HE3 TRP 13 3.593 -1.674 -4.197 123 HZ2 TRP 13 HZ2 TRP 13 5.068 -6.387 -4.881 124 HZ3 TRP 13 HZ3 TRP 13 6.018 -2.237 -4.204 125 HH2 TRP 13 HH2 TRP 13 6.764 -4.583 -4.532 126 H TYR 14 H TYR 14 -1.094 -0.351 -2.524 127 HA TYR 14 HA TYR 14 1.015 0.093 -0.637 128 HB2 TYR 14 1HB TYR 14 -0.190 1.848 -1.941 129 HB3 TYR 14 2HB TYR 14 -1.599 1.617 -0.916 130 HD1 TYR 14 HD2 TYR 14 1.870 2.896 -1.077 131 HD2 TYR 14 HD1 TYR 14 -1.632 2.430 1.405 132 HE1 TYR 14 HE2 TYR 14 2.816 4.512 0.578 133 HE2 TYR 14 HE1 TYR 14 -0.679 4.029 3.053 134 HH TYR 14 HH TYR 14 1.075 5.396 3.581 135 H ILE 15 H ILE 15 -2.183 -1.272 -0.243 136 HA ILE 15 HA ILE 15 -2.600 -0.938 2.550 137 HB ILE 15 HB ILE 15 -3.466 -3.236 0.751 138 HG12 ILE 15 1HG1 ILE 15 -5.124 -0.799 1.542 139 HG13 ILE 15 2HG1 ILE 15 -4.165 -0.835 0.071 140 HG21 ILE 15 1HG2 ILE 15 -3.698 -3.813 3.159 141 HG22 ILE 15 2HG2 ILE 15 -4.558 -2.287 3.449 142 HG23 ILE 15 3HG2 ILE 15 -5.283 -3.557 2.440 143 HD11 ILE 15 3HD1 ILE 15 -6.348 -1.441 -0.570 144 HD12 ILE 15 1HD1 ILE 15 -5.357 -2.909 -0.653 145 HD13 ILE 15 2HD1 ILE 15 -6.484 -2.670 0.705 146 H LYS 16 H LYS 16 -0.945 -3.592 0.816 147 HA LYS 16 HA LYS 16 -0.022 -4.930 3.257 148 HB2 LYS 16 1HB LYS 16 0.169 -5.338 0.320 149 HB3 LYS 16 2HB LYS 16 1.616 -5.830 1.181 150 HG2 LYS 16 1HG LYS 16 -1.024 -6.713 2.355 151 HG3 LYS 16 2HG LYS 16 -0.524 -7.446 0.831 152 HD2 LYS 16 1HD LYS 16 1.580 -8.187 1.764 153 HD3 LYS 16 2HD LYS 16 1.256 -7.377 3.309 154 HE2 LYS 16 1HE LYS 16 -0.391 -8.909 3.940 155 HE3 LYS 16 2HE LYS 16 -0.767 -9.365 2.275 156 HZ1 LYS 16 3HZ LYS 16 1.290 -10.595 2.158 157 HZ2 LYS 16 1HZ LYS 16 0.474 -11.106 3.471 158 HZ3 LYS 16 2HZ LYS 16 1.759 -10.115 3.648 159 H LEU 17 H LEU 17 1.360 -2.456 1.170 160 HA LEU 17 HA LEU 17 4.021 -2.451 2.270 161 HB2 LEU 17 1HB LEU 17 2.312 -0.482 0.803 162 HB3 LEU 17 2HB LEU 17 3.673 0.163 1.675 163 HG LEU 17 HG LEU 17 5.248 -0.992 0.403 164 HD11 LEU 17 1HD1 LEU 17 4.494 -3.195 0.053 165 HD12 LEU 17 2HD1 LEU 17 4.538 -2.488 -1.564 166 HD13 LEU 17 3HD1 LEU 17 2.993 -2.657 -0.720 167 HD21 LEU 17 3HD2 LEU 17 3.112 -0.066 -1.539 168 HD22 LEU 17 1HD2 LEU 17 4.865 -0.130 -1.816 169 HD23 LEU 17 2HD2 LEU 17 4.208 1.001 -0.626 170 H PHE 18 H PHE 18 1.037 -0.780 3.407 171 HA PHE 18 HA PHE 18 2.174 0.627 5.579 172 HB2 PHE 18 1HB PHE 18 -0.152 0.902 4.874 173 HB3 PHE 18 2HB PHE 18 -0.540 -0.731 5.392 174 HD1 PHE 18 HD2 PHE 18 0.269 2.696 6.561 175 HD2 PHE 18 HD1 PHE 18 -0.837 -1.302 7.757 176 HE1 PHE 18 HE2 PHE 18 -0.303 3.526 8.834 177 HE2 PHE 18 HE1 PHE 18 -1.384 -0.468 10.031 178 HZ PHE 18 HZ PHE 18 -1.142 1.949 10.564 179 H ILE 19 H ILE 19 1.051 -2.771 5.535 180 HA ILE 19 HA ILE 19 1.700 -3.390 8.256 181 HB ILE 19 HB ILE 19 1.672 -5.303 5.889 182 HG12 ILE 19 1HG1 ILE 19 -0.609 -4.661 7.819 183 HG13 ILE 19 2HG1 ILE 19 -0.484 -3.974 6.201 184 HG21 ILE 19 1HG2 ILE 19 1.216 -7.031 7.637 185 HG22 ILE 19 2HG2 ILE 19 2.771 -6.264 7.887 186 HG23 ILE 19 3HG2 ILE 19 1.387 -5.789 8.894 187 HD11 ILE 19 3HD1 ILE 19 -1.998 -5.801 6.067 188 HD12 ILE 19 1HD1 ILE 19 -0.511 -6.278 5.224 189 HD13 ILE 19 2HD1 ILE 19 -0.868 -6.912 6.850 190 H MET 20 H MET 20 3.677 -3.633 5.276 191 HA MET 20 HA MET 20 6.030 -4.696 6.559 192 HB2 MET 20 1HB MET 20 5.721 -3.095 3.989 193 HB3 MET 20 2HB MET 20 7.218 -3.852 4.523 194 HG2 MET 20 1HG MET 20 5.054 -5.793 4.642 195 HG3 MET 20 2HG MET 20 5.076 -5.036 3.057 196 HE1 MET 20 3HE MET 20 8.470 -6.050 1.532 197 HE2 MET 20 1HE MET 20 6.799 -5.560 1.183 198 HE3 MET 20 2HE MET 20 7.856 -4.497 2.142 199 H ILE 21 H ILE 21 5.122 -1.307 5.823 200 HA ILE 21 HA ILE 21 7.514 -0.089 6.851 201 HB ILE 21 HB ILE 21 4.695 0.983 6.436 202 HG12 ILE 21 1HG1 ILE 21 7.180 1.578 4.769 203 HG13 ILE 21 2HG1 ILE 21 6.157 0.199 4.415 204 HG21 ILE 21 1HG2 ILE 21 5.794 2.427 8.084 205 HG22 ILE 21 2HG2 ILE 21 7.255 2.525 7.070 206 HG23 ILE 21 3HG2 ILE 21 5.730 3.266 6.548 207 HD11 ILE 21 3HD1 ILE 21 4.181 1.723 4.169 208 HD12 ILE 21 1HD1 ILE 21 5.277 3.110 4.357 209 HD13 ILE 21 2HD1 ILE 21 5.473 2.006 2.989 210 H VAL 22 H VAL 22 4.253 -0.398 8.395 211 HA VAL 22 HA VAL 22 5.184 0.623 10.951 212 HB VAL 22 HB VAL 22 2.691 -0.996 10.334 213 HG11 VAL 22 1HG1 VAL 22 3.108 -1.001 12.743 214 HG12 VAL 22 2HG1 VAL 22 3.414 0.751 12.732 215 HG13 VAL 22 3HG1 VAL 22 1.790 0.112 12.390 216 HG21 VAL 22 3HG2 VAL 22 1.620 1.315 10.412 217 HG22 VAL 22 1HG2 VAL 22 3.240 2.024 10.483 218 HG23 VAL 22 2HG2 VAL 22 2.718 1.124 9.046 219 H GLY 23 H GLY 23 4.891 -2.704 9.638 220 HA2 GLY 23 1HA GLY 23 5.372 -4.122 11.988 221 HA3 GLY 23 2HA GLY 23 5.870 -4.649 10.375 222 H GLY 24 H GLY 24 7.646 -2.215 10.123 223 HA2 GLY 24 1HA GLY 24 10.008 -3.142 11.704 224 HA3 GLY 24 2HA GLY 24 10.042 -2.173 10.236 225 H LEU 25 H LEU 25 7.912 -0.298 11.312 226 HA LEU 25 HA LEU 25 9.713 1.393 12.946 227 HB2 LEU 25 1HB LEU 25 7.089 1.974 11.536 228 HB3 LEU 25 2HB LEU 25 7.991 3.157 12.477 229 HG LEU 25 HG LEU 25 8.998 1.791 9.945 230 HD11 LEU 25 1HD1 LEU 25 8.753 3.998 8.943 231 HD12 LEU 25 2HD1 LEU 25 8.214 4.684 10.493 232 HD13 LEU 25 3HD1 LEU 25 7.202 3.503 9.641 233 HD21 LEU 25 3HD2 LEU 25 10.296 3.921 11.699 234 HD22 LEU 25 1HD2 LEU 25 10.838 3.476 10.065 235 HD23 LEU 25 2HD2 LEU 25 10.921 2.288 11.363 236 H VAL 26 H VAL 26 6.844 -0.505 13.559 237 HA VAL 26 HA VAL 26 5.878 0.875 15.852 238 HB VAL 26 HB VAL 26 4.697 -0.901 14.563 239 HG11 VAL 26 1HG1 VAL 26 4.944 -3.241 15.089 240 HG12 VAL 26 2HG1 VAL 26 6.515 -2.646 14.545 241 HG13 VAL 26 3HG1 VAL 26 6.215 -2.915 16.277 242 HG21 VAL 26 3HG2 VAL 26 3.832 -0.067 16.675 243 HG22 VAL 26 1HG2 VAL 26 3.424 -1.767 16.405 244 HG23 VAL 26 2HG2 VAL 26 4.711 -1.343 17.556 245 H LYS 27 H LYS 27 8.437 -1.464 15.535 246 HA LYS 27 HA LYS 27 8.977 -1.730 18.416 247 HB2 LYS 27 1HB LYS 27 10.572 -3.377 17.762 248 HB3 LYS 27 2HB LYS 27 9.173 -3.578 16.704 249 HG2 LYS 27 1HG LYS 27 10.517 -1.996 15.069 250 HG3 LYS 27 2HG LYS 27 11.911 -2.421 16.060 251 HD2 LYS 27 1HD LYS 27 10.123 -4.283 14.458 252 HD3 LYS 27 2HD LYS 27 11.781 -3.778 14.077 253 HE2 LYS 27 1HE LYS 27 12.593 -4.918 16.147 254 HE3 LYS 27 2HE LYS 27 10.940 -5.443 16.499 255 HZ1 LYS 27 3HZ LYS 27 12.148 -7.200 15.377 256 HZ2 LYS 27 1HZ LYS 27 12.526 -6.239 14.115 257 HZ3 LYS 27 2HZ LYS 27 10.972 -6.675 14.375 258 H LYS 28 H LYS 28 10.210 0.210 15.827 259 HA LYS 28 HA LYS 28 12.821 0.771 16.798 260 HB2 LYS 28 1HB LYS 28 11.008 2.003 14.733 261 HB3 LYS 28 2HB LYS 28 12.392 2.948 15.247 262 HG2 LYS 28 1HG LYS 28 12.695 0.065 14.336 263 HG3 LYS 28 2HG LYS 28 12.723 1.424 13.203 264 HD2 LYS 28 1HD LYS 28 14.673 2.402 14.271 265 HD3 LYS 28 2HD LYS 28 14.569 1.281 15.621 266 HE2 LYS 28 1HE LYS 28 16.139 0.117 14.544 267 HE3 LYS 28 2HE LYS 28 14.772 -0.546 13.650 268 HZ1 LYS 28 3HZ LYS 28 16.521 0.219 12.157 269 HZ2 LYS 28 1HZ LYS 28 16.489 1.723 12.777 270 HZ3 LYS 28 2HZ LYS 28 15.209 1.162 11.925 Start of MODEL 7 1 H1 LYS 1 1H LYS 1 -11.078 9.855 -11.443 2 H2 LYS 1 2H LYS 1 -11.555 8.448 -10.760 3 H3 LYS 1 3H LYS 1 -10.305 9.282 -10.123 4 HA LYS 1 HA LYS 1 -10.016 8.545 -12.906 5 HB2 LYS 1 1HB LYS 1 -8.314 9.833 -11.450 6 HB3 LYS 1 2HB LYS 1 -8.004 8.301 -10.638 7 HG2 LYS 1 1HG LYS 1 -7.498 7.356 -13.000 8 HG3 LYS 1 2HG LYS 1 -7.523 9.021 -13.568 9 HD2 LYS 1 1HD LYS 1 -5.758 8.300 -11.206 10 HD3 LYS 1 2HD LYS 1 -5.288 7.768 -12.817 11 HE2 LYS 1 1HE LYS 1 -5.399 10.119 -13.635 12 HE3 LYS 1 2HE LYS 1 -5.770 10.661 -11.992 13 HZ1 LYS 1 3HZ LYS 1 -3.287 9.251 -12.832 14 HZ2 LYS 1 1HZ LYS 1 -3.619 9.690 -11.294 15 HZ3 LYS 1 2HZ LYS 1 -3.393 10.829 -12.440 16 H LYS 2 H LYS 2 -11.855 6.879 -12.551 17 HA LYS 2 HA LYS 2 -10.737 4.228 -11.686 18 HB2 LYS 2 1HB LYS 2 -13.621 5.216 -11.652 19 HB3 LYS 2 2HB LYS 2 -13.126 3.529 -11.480 20 HG2 LYS 2 1HG LYS 2 -11.650 4.266 -9.528 21 HG3 LYS 2 2HG LYS 2 -12.490 5.827 -9.588 22 HD2 LYS 2 1HD LYS 2 -14.645 4.714 -9.158 23 HD3 LYS 2 2HD LYS 2 -13.871 3.121 -9.288 24 HE2 LYS 2 1HE LYS 2 -12.338 3.868 -7.360 25 HE3 LYS 2 2HE LYS 2 -13.450 5.224 -7.126 26 HZ1 LYS 2 3HZ LYS 2 -14.192 2.343 -6.997 27 HZ2 LYS 2 1HZ LYS 2 -15.238 3.580 -6.782 28 HZ3 LYS 2 2HZ LYS 2 -14.033 3.331 -5.711 29 H LYS 3 H LYS 3 -10.123 3.101 -13.304 30 HA LYS 3 HA LYS 3 -11.624 3.102 -15.900 31 HB2 LYS 3 1HB LYS 3 -9.009 4.153 -15.434 32 HB3 LYS 3 2HB LYS 3 -8.764 2.671 -16.345 33 HG2 LYS 3 1HG LYS 3 -10.802 4.788 -17.141 34 HG3 LYS 3 2HG LYS 3 -9.119 4.855 -17.660 35 HD2 LYS 3 1HD LYS 3 -9.293 3.032 -19.082 36 HD3 LYS 3 2HD LYS 3 -10.586 2.275 -18.156 37 HE2 LYS 3 1HE LYS 3 -11.467 3.020 -20.273 38 HE3 LYS 3 2HE LYS 3 -12.218 3.906 -18.946 39 HZ1 LYS 3 3HZ LYS 3 -10.035 4.956 -20.675 40 HZ2 LYS 3 1HZ LYS 3 -10.746 5.786 -19.455 41 HZ3 LYS 3 2HZ LYS 3 -11.607 5.378 -20.775 42 H ASN 4 H ASN 4 -8.982 1.219 -14.418 43 HA ASN 4 HA ASN 4 -10.561 -1.256 -14.517 44 HB2 ASN 4 1HB ASN 4 -8.272 -0.650 -16.404 45 HB3 ASN 4 2HB ASN 4 -8.313 -2.258 -15.708 46 HD21 ASN 4 2HD2 ASN 4 -9.311 -0.640 -18.421 47 HD22 ASN 4 1HD2 ASN 4 -10.670 -1.693 -18.795 48 H TRP 5 H TRP 5 -9.100 -3.126 -13.700 49 HA TRP 5 HA TRP 5 -8.243 -2.699 -11.067 50 HB2 TRP 5 1HB TRP 5 -7.283 -4.926 -11.203 51 HB3 TRP 5 2HB TRP 5 -8.850 -4.879 -11.991 52 HD1 TRP 5 HD1 TRP 5 -8.954 -5.459 -14.547 53 HE1 TRP 5 HE1 TRP 5 -7.253 -6.300 -16.288 54 HE3 TRP 5 HE3 TRP 5 -4.639 -4.884 -11.837 55 HZ2 TRP 5 HZ2 TRP 5 -4.399 -6.577 -16.516 56 HZ3 TRP 5 HZ3 TRP 5 -2.435 -5.417 -12.857 57 HH2 TRP 5 HH2 TRP 5 -2.301 -6.254 -15.192 58 H PHE 6 H PHE 6 -6.350 -2.364 -14.020 59 HA PHE 6 HA PHE 6 -3.723 -2.236 -13.025 60 HB2 PHE 6 1HB PHE 6 -4.301 -2.287 -15.398 61 HB3 PHE 6 2HB PHE 6 -5.061 -0.704 -15.286 62 HD1 PHE 6 HD1 PHE 6 -1.829 -2.522 -15.346 63 HD2 PHE 6 HD2 PHE 6 -3.721 1.354 -15.174 64 HE1 PHE 6 HE1 PHE 6 0.350 -1.429 -15.834 65 HE2 PHE 6 HE2 PHE 6 -1.541 2.439 -15.647 66 HZ PHE 6 HZ PHE 6 0.499 1.052 -15.974 67 H ASP 7 H ASP 7 -6.257 0.277 -12.877 68 HA ASP 7 HA ASP 7 -4.399 2.297 -11.791 69 HB2 ASP 7 1HB ASP 7 -7.171 2.257 -12.777 70 HB3 ASP 7 2HB ASP 7 -7.038 3.111 -11.246 71 H ILE 8 H ILE 8 -6.655 -0.102 -10.505 72 HA ILE 8 HA ILE 8 -6.621 0.829 -7.770 73 HB ILE 8 HB ILE 8 -7.144 -1.979 -8.800 74 HG12 ILE 8 1HG1 ILE 8 -8.723 -0.536 -9.900 75 HG13 ILE 8 2HG1 ILE 8 -9.545 -1.414 -8.630 76 HG21 ILE 8 1HG2 ILE 8 -8.493 -2.192 -6.685 77 HG22 ILE 8 2HG2 ILE 8 -6.751 -2.095 -6.441 78 HG23 ILE 8 3HG2 ILE 8 -7.761 -0.670 -6.128 79 HD11 ILE 8 3HD1 ILE 8 -9.383 0.666 -7.171 80 HD12 ILE 8 1HD1 ILE 8 -8.731 1.522 -8.589 81 HD13 ILE 8 2HD1 ILE 8 -10.366 0.845 -8.632 82 H THR 9 H THR 9 -4.372 -1.313 -9.572 83 HA THR 9 HA THR 9 -2.935 -2.199 -7.275 84 HB THR 9 HB THR 9 -1.158 -2.879 -8.615 85 HG1 THR 9 HG1 THR 9 -0.921 -2.218 -10.762 86 HG21 THR 9 3HG2 THR 9 -2.152 -4.294 -10.197 87 HG22 THR 9 1HG2 THR 9 -3.423 -3.132 -10.595 88 HG23 THR 9 2HG2 THR 9 -3.464 -3.994 -9.039 89 H ASN 10 H ASN 10 -2.717 0.896 -8.946 90 HA ASN 10 HA ASN 10 -0.269 1.807 -7.716 91 HB2 ASN 10 1HB ASN 10 -1.050 2.909 -9.688 92 HB3 ASN 10 2HB ASN 10 -2.647 3.195 -9.011 93 HD21 ASN 10 2HD2 ASN 10 -3.023 4.981 -7.705 94 HD22 ASN 10 1HD2 ASN 10 -1.771 6.183 -7.404 95 H TRP 11 H TRP 11 -3.708 2.060 -6.739 96 HA TRP 11 HA TRP 11 -3.242 3.565 -4.313 97 HB2 TRP 11 1HB TRP 11 -5.528 1.752 -5.167 98 HB3 TRP 11 2HB TRP 11 -5.497 2.657 -3.664 99 HD1 TRP 11 HD1 TRP 11 -5.921 3.141 -7.403 100 HE1 TRP 11 HE1 TRP 11 -6.803 5.509 -7.885 101 HE3 TRP 11 HE3 TRP 11 -5.555 5.109 -2.693 102 HZ2 TRP 11 HZ2 TRP 11 -7.325 7.925 -6.407 103 HZ3 TRP 11 HZ3 TRP 11 -6.282 7.447 -2.248 104 HH2 TRP 11 HH2 TRP 11 -7.166 8.859 -4.091 105 H LEU 12 H LEU 12 -3.476 0.044 -4.942 106 HA LEU 12 HA LEU 12 -3.133 -0.859 -2.275 107 HB2 LEU 12 1HB LEU 12 -2.297 -2.049 -4.934 108 HB3 LEU 12 2HB LEU 12 -1.978 -2.879 -3.420 109 HG LEU 12 HG LEU 12 -4.778 -2.057 -4.311 110 HD11 LEU 12 1HD1 LEU 12 -5.062 -4.469 -4.837 111 HD12 LEU 12 2HD1 LEU 12 -3.337 -4.740 -4.505 112 HD13 LEU 12 3HD1 LEU 12 -3.841 -3.715 -5.865 113 HD21 LEU 12 3HD2 LEU 12 -3.768 -3.939 -2.122 114 HD22 LEU 12 1HD2 LEU 12 -5.468 -3.743 -2.600 115 HD23 LEU 12 2HD2 LEU 12 -4.604 -2.391 -1.868 116 H TRP 13 H TRP 13 -0.620 0.179 -4.571 117 HA TRP 13 HA TRP 13 1.646 -0.508 -3.043 118 HB2 TRP 13 1HB TRP 13 1.255 0.612 -5.482 119 HB3 TRP 13 2HB TRP 13 1.773 2.036 -4.600 120 HD1 TRP 13 HD1 TRP 13 2.898 -1.457 -5.647 121 HE1 TRP 13 HE1 TRP 13 5.471 -1.603 -5.668 122 HE3 TRP 13 HE3 TRP 13 4.005 3.124 -3.616 123 HZ2 TRP 13 HZ2 TRP 13 7.698 0.031 -4.900 124 HZ3 TRP 13 HZ3 TRP 13 6.381 3.810 -3.306 125 HH2 TRP 13 HH2 TRP 13 8.225 2.274 -3.927 126 H TYR 14 H TYR 14 -0.281 2.498 -2.864 127 HA TYR 14 HA TYR 14 1.305 3.893 -0.947 128 HB2 TYR 14 1HB TYR 14 -0.538 4.871 -2.312 129 HB3 TYR 14 2HB TYR 14 -1.711 3.994 -1.341 130 HD1 TYR 14 HD1 TYR 14 0.724 6.781 -1.378 131 HD2 TYR 14 HD2 TYR 14 -2.263 4.700 0.948 132 HE1 TYR 14 HE1 TYR 14 0.673 8.666 0.246 133 HE2 TYR 14 HE2 TYR 14 -2.301 6.592 2.575 134 HH TYR 14 HH TYR 14 -0.239 9.493 2.174 135 H ILE 15 H ILE 15 -1.368 1.577 -0.455 136 HA ILE 15 HA ILE 15 -1.270 1.668 2.451 137 HB ILE 15 HB ILE 15 -2.405 -0.459 0.607 138 HG12 ILE 15 1HG1 ILE 15 -4.240 1.396 2.090 139 HG13 ILE 15 2HG1 ILE 15 -3.333 2.163 0.805 140 HG21 ILE 15 1HG2 ILE 15 -3.813 -1.066 2.594 141 HG22 ILE 15 2HG2 ILE 15 -2.095 -1.370 2.865 142 HG23 ILE 15 3HG2 ILE 15 -2.860 0.061 3.583 143 HD11 ILE 15 3HD1 ILE 15 -5.479 1.342 -0.026 144 HD12 ILE 15 1HD1 ILE 15 -4.137 0.513 -0.826 145 HD13 ILE 15 2HD1 ILE 15 -5.054 -0.321 0.446 146 H LYS 16 H LYS 16 0.204 -0.512 0.020 147 HA LYS 16 HA LYS 16 1.500 -2.319 1.769 148 HB2 LYS 16 1HB LYS 16 1.528 -1.724 -1.036 149 HB3 LYS 16 2HB LYS 16 3.201 -1.777 -0.538 150 HG2 LYS 16 1HG LYS 16 1.155 -3.944 0.142 151 HG3 LYS 16 2HG LYS 16 2.092 -3.954 -1.343 152 HD2 LYS 16 1HD LYS 16 3.325 -4.048 1.451 153 HD3 LYS 16 2HD LYS 16 3.005 -5.439 0.407 154 HE2 LYS 16 1HE LYS 16 4.406 -4.127 -1.386 155 HE3 LYS 16 2HE LYS 16 4.994 -3.187 -0.011 156 HZ1 LYS 16 3HZ LYS 16 5.231 -6.134 -0.349 157 HZ2 LYS 16 1HZ LYS 16 5.724 -5.336 0.988 158 HZ3 LYS 16 2HZ LYS 16 6.454 -5.068 -0.451 159 H LEU 17 H LEU 17 2.603 0.899 0.814 160 HA LEU 17 HA LEU 17 5.177 0.794 2.065 161 HB2 LEU 17 1HB LEU 17 3.289 3.136 1.620 162 HB3 LEU 17 2HB LEU 17 4.917 3.315 2.248 163 HG LEU 17 HG LEU 17 4.287 2.124 -0.488 164 HD11 LEU 17 1HD1 LEU 17 3.643 4.495 -0.351 165 HD12 LEU 17 2HD1 LEU 17 5.083 4.292 -1.355 166 HD13 LEU 17 3HD1 LEU 17 5.245 4.905 0.303 167 HD21 LEU 17 3HD2 LEU 17 6.706 2.572 -0.902 168 HD22 LEU 17 1HD2 LEU 17 6.439 1.341 0.326 169 HD23 LEU 17 2HD2 LEU 17 6.902 2.987 0.815 170 H PHE 18 H PHE 18 1.982 1.669 3.465 171 HA PHE 18 HA PHE 18 2.964 2.273 6.107 172 HB2 PHE 18 1HB PHE 18 0.741 2.946 5.373 173 HB3 PHE 18 2HB PHE 18 0.249 1.275 5.168 174 HD1 PHE 18 HD1 PHE 18 1.237 3.808 7.733 175 HD2 PHE 18 HD2 PHE 18 -0.600 -0.026 6.985 176 HE1 PHE 18 HE1 PHE 18 0.361 3.766 10.059 177 HE2 PHE 18 HE2 PHE 18 -1.466 -0.062 9.314 178 HZ PHE 18 HZ PHE 18 -1.006 1.843 10.844 179 H ILE 19 H ILE 19 1.786 -0.789 4.659 180 HA ILE 19 HA ILE 19 2.112 -2.421 6.962 181 HB ILE 19 HB ILE 19 2.484 -3.359 4.094 182 HG12 ILE 19 1HG1 ILE 19 -0.084 -3.253 5.756 183 HG13 ILE 19 2HG1 ILE 19 0.303 -2.155 4.441 184 HG21 ILE 19 1HG2 ILE 19 1.669 -4.849 6.642 185 HG22 ILE 19 2HG2 ILE 19 1.799 -5.565 5.023 186 HG23 ILE 19 3HG2 ILE 19 3.242 -4.990 5.831 187 HD11 ILE 19 3HD1 ILE 19 -1.155 -3.756 3.511 188 HD12 ILE 19 1HD1 ILE 19 0.458 -4.149 2.884 189 HD13 ILE 19 2HD1 ILE 19 -0.257 -5.116 4.197 190 H MET 20 H MET 20 4.549 -1.870 4.327 191 HA MET 20 HA MET 20 6.532 -3.501 5.584 192 HB2 MET 20 1HB MET 20 8.140 -2.595 4.069 193 HB3 MET 20 2HB MET 20 6.613 -2.851 3.213 194 HG2 MET 20 1HG MET 20 6.114 -0.519 3.277 195 HG3 MET 20 2HG MET 20 7.528 -0.158 4.265 196 HE1 MET 20 3HE MET 20 7.581 -1.239 -0.229 197 HE2 MET 20 1HE MET 20 7.425 -2.545 0.964 198 HE3 MET 20 2HE MET 20 6.163 -1.292 0.843 199 H ILE 21 H ILE 21 5.814 -0.068 6.108 200 HA ILE 21 HA ILE 21 8.119 0.465 7.804 201 HB ILE 21 HB ILE 21 5.444 1.875 7.465 202 HG12 ILE 21 1HG1 ILE 21 8.205 2.811 6.558 203 HG13 ILE 21 2HG1 ILE 21 7.178 1.828 5.530 204 HG21 ILE 21 1HG2 ILE 21 6.211 2.445 9.670 205 HG22 ILE 21 2HG2 ILE 21 7.888 2.665 9.110 206 HG23 ILE 21 3HG2 ILE 21 6.616 3.811 8.646 207 HD11 ILE 21 3HD1 ILE 21 6.550 4.620 6.546 208 HD12 ILE 21 1HD1 ILE 21 6.797 4.079 4.877 209 HD13 ILE 21 2HD1 ILE 21 5.348 3.570 5.762 210 H VAL 22 H VAL 22 4.654 -0.158 8.564 211 HA VAL 22 HA VAL 22 4.953 -0.288 11.406 212 HB VAL 22 HB VAL 22 2.903 -1.590 9.596 213 HG11 VAL 22 1HG1 VAL 22 1.404 -1.534 11.610 214 HG12 VAL 22 2HG1 VAL 22 2.733 -2.686 11.764 215 HG13 VAL 22 3HG1 VAL 22 2.816 -1.123 12.610 216 HG21 VAL 22 3HG2 VAL 22 3.142 1.032 9.648 217 HG22 VAL 22 1HG2 VAL 22 1.561 0.333 9.974 218 HG23 VAL 22 2HG2 VAL 22 2.566 0.921 11.314 219 H GLY 23 H GLY 23 5.289 -2.840 8.927 220 HA2 GLY 23 1HA GLY 23 5.465 -5.087 10.542 221 HA3 GLY 23 2HA GLY 23 6.369 -4.879 9.036 222 H GLY 24 H GLY 24 7.818 -2.514 10.267 223 HA2 GLY 24 1HA GLY 24 9.841 -3.960 11.942 224 HA3 GLY 24 2HA GLY 24 10.147 -2.544 10.942 225 H LEU 25 H LEU 25 7.711 -1.081 11.913 226 HA LEU 25 HA LEU 25 8.848 -0.061 14.428 227 HB2 LEU 25 1HB LEU 25 6.456 0.847 12.793 228 HB3 LEU 25 2HB LEU 25 7.050 1.652 14.240 229 HG LEU 25 HG LEU 25 8.529 1.394 11.594 230 HD11 LEU 25 1HD1 LEU 25 8.251 3.802 11.505 231 HD12 LEU 25 2HD1 LEU 25 7.538 3.832 13.135 232 HD13 LEU 25 3HD1 LEU 25 6.659 3.076 11.797 233 HD21 LEU 25 3HD2 LEU 25 10.220 1.294 13.355 234 HD22 LEU 25 1HD2 LEU 25 9.454 2.655 14.212 235 HD23 LEU 25 2HD2 LEU 25 10.228 2.901 12.630 236 H VAL 26 H VAL 26 6.163 -2.192 13.693 237 HA VAL 26 HA VAL 26 4.629 -1.797 16.058 238 HB VAL 26 HB VAL 26 3.945 -3.060 14.004 239 HG11 VAL 26 1HG1 VAL 26 4.398 -5.390 13.736 240 HG12 VAL 26 2HG1 VAL 26 5.957 -4.569 13.841 241 HG13 VAL 26 3HG1 VAL 26 5.326 -5.468 15.244 242 HG21 VAL 26 3HG2 VAL 26 2.613 -4.811 15.263 243 HG22 VAL 26 1HG2 VAL 26 3.406 -4.224 16.734 244 HG23 VAL 26 2HG2 VAL 26 2.418 -3.122 15.750 245 H LYS 27 H LYS 27 7.515 -3.710 15.522 246 HA LYS 27 HA LYS 27 7.489 -4.910 18.219 247 HB2 LYS 27 1HB LYS 27 9.275 -6.268 17.478 248 HB3 LYS 27 2HB LYS 27 8.141 -6.147 16.149 249 HG2 LYS 27 1HG LYS 27 10.016 -5.774 14.910 250 HG3 LYS 27 2HG LYS 27 9.775 -4.119 15.435 251 HD2 LYS 27 1HD LYS 27 12.063 -4.507 15.850 252 HD3 LYS 27 2HD LYS 27 11.326 -4.705 17.440 253 HE2 LYS 27 1HE LYS 27 11.128 -7.264 16.599 254 HE3 LYS 27 2HE LYS 27 12.454 -6.767 15.547 255 HZ1 LYS 27 3HZ LYS 27 13.307 -7.657 17.621 256 HZ2 LYS 27 1HZ LYS 27 12.436 -6.613 18.518 257 HZ3 LYS 27 2HZ LYS 27 13.663 -6.066 17.584 258 H LYS 28 H LYS 28 8.966 -2.165 16.750 259 HA LYS 28 HA LYS 28 11.257 -1.784 18.477 260 HB2 LYS 28 1HB LYS 28 9.703 0.016 16.592 261 HB3 LYS 28 2HB LYS 28 11.045 0.632 17.540 262 HG2 LYS 28 1HG LYS 28 11.530 -1.876 15.934 263 HG3 LYS 28 2HG LYS 28 11.370 -0.348 15.059 264 HD2 LYS 28 1HD LYS 28 13.207 0.649 16.187 265 HD3 LYS 28 2HD LYS 28 13.299 -0.659 17.386 266 HE2 LYS 28 1HE LYS 28 14.052 -2.246 15.771 267 HE3 LYS 28 2HE LYS 28 13.671 -1.185 14.411 268 HZ1 LYS 28 3HZ LYS 28 15.490 0.201 14.935 269 HZ2 LYS 28 1HZ LYS 28 16.094 -1.301 15.119 270 HZ3 LYS 28 2HZ LYS 28 15.697 -0.420 16.433 Start of MODEL 8 1 H1 LYS 1 1H LYS 1 -13.045 9.570 -8.269 2 H2 LYS 1 2H LYS 1 -11.839 9.075 -9.245 3 H3 LYS 1 3H LYS 1 -13.273 9.542 -9.885 4 HA LYS 1 HA LYS 1 -12.754 7.191 -8.191 5 HB2 LYS 1 1HB LYS 1 -15.060 8.408 -7.921 6 HB3 LYS 1 2HB LYS 1 -15.472 7.608 -9.445 7 HG2 LYS 1 1HG LYS 1 -14.823 5.405 -8.406 8 HG3 LYS 1 2HG LYS 1 -14.375 6.260 -6.930 9 HD2 LYS 1 1HD LYS 1 -16.470 5.284 -6.520 10 HD3 LYS 1 2HD LYS 1 -16.776 7.015 -6.691 11 HE2 LYS 1 1HE LYS 1 -17.727 6.728 -8.880 12 HE3 LYS 1 2HE LYS 1 -17.061 5.096 -9.038 13 HZ1 LYS 1 3HZ LYS 1 -19.431 5.042 -8.497 14 HZ2 LYS 1 1HZ LYS 1 -19.184 5.853 -7.102 15 HZ3 LYS 1 2HZ LYS 1 -18.569 4.352 -7.300 16 H LYS 2 H LYS 2 -14.180 7.963 -11.436 17 HA LYS 2 HA LYS 2 -13.545 5.505 -12.678 18 HB2 LYS 2 1HB LYS 2 -14.599 8.107 -13.482 19 HB3 LYS 2 2HB LYS 2 -13.420 7.554 -14.660 20 HG2 LYS 2 1HG LYS 2 -14.594 5.343 -14.759 21 HG3 LYS 2 2HG LYS 2 -15.880 6.019 -13.741 22 HD2 LYS 2 1HD LYS 2 -16.594 7.519 -15.428 23 HD3 LYS 2 2HD LYS 2 -15.032 7.476 -16.266 24 HE2 LYS 2 1HE LYS 2 -15.452 5.063 -16.839 25 HE3 LYS 2 2HE LYS 2 -17.086 5.229 -16.185 26 HZ1 LYS 2 3HZ LYS 2 -17.001 5.590 -18.605 27 HZ2 LYS 2 1HZ LYS 2 -15.975 6.844 -18.427 28 HZ3 LYS 2 2HZ LYS 2 -17.503 6.952 -17.859 29 H LYS 3 H LYS 3 -11.605 4.665 -12.456 30 HA LYS 3 HA LYS 3 -9.333 5.852 -13.970 31 HB2 LYS 3 1HB LYS 3 -9.313 4.916 -11.081 32 HB3 LYS 3 2HB LYS 3 -7.862 4.701 -12.052 33 HG2 LYS 3 1HG LYS 3 -9.249 7.391 -11.730 34 HG3 LYS 3 2HG LYS 3 -7.971 6.828 -10.670 35 HD2 LYS 3 1HD LYS 3 -6.331 7.298 -12.121 36 HD3 LYS 3 2HD LYS 3 -7.145 6.555 -13.482 37 HE2 LYS 3 1HE LYS 3 -8.466 9.069 -12.710 38 HE3 LYS 3 2HE LYS 3 -6.740 9.319 -12.965 39 HZ1 LYS 3 3HZ LYS 3 -6.988 8.292 -15.172 40 HZ2 LYS 3 1HZ LYS 3 -7.945 9.601 -15.028 41 HZ3 LYS 3 2HZ LYS 3 -8.605 8.116 -14.941 42 H ASN 4 H ASN 4 -7.841 4.362 -14.765 43 HA ASN 4 HA ASN 4 -9.027 1.932 -15.792 44 HB2 ASN 4 1HB ASN 4 -7.282 3.562 -16.843 45 HB3 ASN 4 2HB ASN 4 -6.075 2.697 -15.887 46 HD21 ASN 4 2HD2 ASN 4 -6.276 2.884 -18.815 47 HD22 ASN 4 1HD2 ASN 4 -6.528 1.232 -19.367 48 H TRP 5 H TRP 5 -8.641 -0.215 -15.174 49 HA TRP 5 HA TRP 5 -8.077 -0.830 -12.465 50 HB2 TRP 5 1HB TRP 5 -8.177 -3.122 -13.112 51 HB3 TRP 5 2HB TRP 5 -9.390 -2.244 -14.025 52 HD1 TRP 5 HD1 TRP 5 -9.131 -2.187 -16.655 53 HE1 TRP 5 HE1 TRP 5 -7.612 -3.398 -18.340 54 HE3 TRP 5 HE3 TRP 5 -5.702 -4.174 -13.396 55 HZ2 TRP 5 HZ2 TRP 5 -5.200 -4.968 -18.291 56 HZ3 TRP 5 HZ3 TRP 5 -3.777 -5.492 -14.254 57 HH2 TRP 5 HH2 TRP 5 -3.515 -5.893 -16.690 58 H PHE 6 H PHE 6 -5.897 -0.670 -15.213 59 HA PHE 6 HA PHE 6 -3.604 -1.906 -14.101 60 HB2 PHE 6 1HB PHE 6 -4.274 -0.708 -16.505 61 HB3 PHE 6 2HB PHE 6 -3.110 0.432 -15.869 62 HD1 PHE 6 HD1 PHE 6 -0.848 -0.709 -14.906 63 HD2 PHE 6 HD2 PHE 6 -3.541 -2.537 -17.740 64 HE1 PHE 6 HE1 PHE 6 0.965 -2.231 -15.656 65 HE2 PHE 6 HE2 PHE 6 -1.726 -4.049 -18.489 66 HZ PHE 6 HZ PHE 6 0.531 -3.903 -17.447 67 H ASP 7 H ASP 7 -4.813 1.419 -13.701 68 HA ASP 7 HA ASP 7 -2.487 2.382 -12.218 69 HB2 ASP 7 1HB ASP 7 -4.838 3.521 -13.433 70 HB3 ASP 7 2HB ASP 7 -4.888 3.937 -11.730 71 H ILE 8 H ILE 8 -5.585 0.901 -11.389 72 HA ILE 8 HA ILE 8 -5.525 1.373 -8.555 73 HB ILE 8 HB ILE 8 -6.781 -0.986 -9.987 74 HG12 ILE 8 1HG1 ILE 8 -7.669 1.019 -11.006 75 HG13 ILE 8 2HG1 ILE 8 -8.883 0.284 -9.987 76 HG21 ILE 8 1HG2 ILE 8 -6.728 -1.422 -7.628 77 HG22 ILE 8 2HG2 ILE 8 -7.299 0.211 -7.240 78 HG23 ILE 8 3HG2 ILE 8 -8.372 -0.957 -8.047 79 HD11 ILE 8 3HD1 ILE 8 -8.943 2.708 -9.775 80 HD12 ILE 8 1HD1 ILE 8 -8.438 2.012 -8.228 81 HD13 ILE 8 2HD1 ILE 8 -7.236 2.765 -9.307 82 H THR 9 H THR 9 -3.757 -0.983 -10.516 83 HA THR 9 HA THR 9 -2.957 -2.727 -8.413 84 HB THR 9 HB THR 9 -1.138 -3.458 -9.701 85 HG1 THR 9 HG1 THR 9 -1.510 -1.330 -11.534 86 HG21 THR 9 3HG2 THR 9 -3.168 -2.754 -11.838 87 HG22 THR 9 1HG2 THR 9 -3.524 -3.925 -10.552 88 HG23 THR 9 2HG2 THR 9 -2.173 -4.212 -11.664 89 H ASN 10 H ASN 10 -1.649 0.443 -9.271 90 HA ASN 10 HA ASN 10 0.637 0.352 -7.506 91 HB2 ASN 10 1HB ASN 10 -0.533 2.212 -9.397 92 HB3 ASN 10 2HB ASN 10 -0.331 3.058 -7.872 93 HD21 ASN 10 2HD2 ASN 10 1.471 0.859 -10.104 94 HD22 ASN 10 1HD2 ASN 10 3.010 1.667 -9.821 95 H TRP 11 H TRP 11 -2.691 1.553 -7.066 96 HA TRP 11 HA TRP 11 -2.380 2.417 -4.332 97 HB2 TRP 11 1HB TRP 11 -4.831 1.593 -5.933 98 HB3 TRP 11 2HB TRP 11 -4.885 2.242 -4.303 99 HD1 TRP 11 HD1 TRP 11 -4.778 3.343 -7.855 100 HE1 TRP 11 HE1 TRP 11 -4.629 5.906 -8.009 101 HE3 TRP 11 HE3 TRP 11 -3.642 4.392 -2.968 102 HZ2 TRP 11 HZ2 TRP 11 -4.084 8.117 -6.252 103 HZ3 TRP 11 HZ3 TRP 11 -3.291 6.746 -2.240 104 HH2 TRP 11 HH2 TRP 11 -3.513 8.610 -3.866 105 H LEU 12 H LEU 12 -3.451 -0.699 -5.731 106 HA LEU 12 HA LEU 12 -3.952 -2.030 -3.252 107 HB2 LEU 12 1HB LEU 12 -3.141 -3.034 -5.998 108 HB3 LEU 12 2HB LEU 12 -3.460 -4.136 -4.665 109 HG LEU 12 HG LEU 12 -5.530 -2.081 -5.536 110 HD11 LEU 12 1HD1 LEU 12 -6.593 -3.906 -6.834 111 HD12 LEU 12 2HD1 LEU 12 -5.181 -4.943 -6.528 112 HD13 LEU 12 3HD1 LEU 12 -5.014 -3.459 -7.494 113 HD21 LEU 12 3HD2 LEU 12 -5.851 -3.182 -3.311 114 HD22 LEU 12 1HD2 LEU 12 -5.797 -4.767 -4.109 115 HD23 LEU 12 2HD2 LEU 12 -7.104 -3.619 -4.473 116 H TRP 13 H TRP 13 -0.896 -1.743 -5.096 117 HA TRP 13 HA TRP 13 0.676 -3.379 -3.383 118 HB2 TRP 13 1HB TRP 13 1.115 -2.165 -5.744 119 HB3 TRP 13 2HB TRP 13 1.941 -1.010 -4.721 120 HD1 TRP 13 HD1 TRP 13 1.886 -4.762 -5.577 121 HE1 TRP 13 HE1 TRP 13 4.260 -5.747 -5.387 122 HE3 TRP 13 HE3 TRP 13 4.355 -0.636 -3.789 123 HZ2 TRP 13 HZ2 TRP 13 6.862 -4.877 -4.553 124 HZ3 TRP 13 HZ3 TRP 13 6.797 -0.748 -3.312 125 HH2 TRP 13 HH2 TRP 13 8.055 -2.857 -3.686 126 H TYR 14 H TYR 14 -0.409 -0.071 -2.883 127 HA TYR 14 HA TYR 14 1.579 0.611 -0.876 128 HB2 TYR 14 1HB TYR 14 0.549 2.366 -2.136 129 HB3 TYR 14 2HB TYR 14 -1.063 1.857 -1.654 130 HD1 TYR 14 HD1 TYR 14 2.170 2.729 0.124 131 HD2 TYR 14 HD2 TYR 14 -2.113 3.219 -0.107 132 HE1 TYR 14 HE1 TYR 14 2.225 4.212 2.131 133 HE2 TYR 14 HE2 TYR 14 -2.046 4.729 1.871 134 HH TYR 14 HH TYR 14 -0.734 5.743 3.444 135 H ILE 15 H ILE 15 -1.568 -0.944 -0.756 136 HA ILE 15 HA ILE 15 -2.107 -0.797 2.039 137 HB ILE 15 HB ILE 15 -2.756 -3.070 0.126 138 HG12 ILE 15 1HG1 ILE 15 -4.538 -0.692 0.855 139 HG13 ILE 15 2HG1 ILE 15 -3.541 -0.721 -0.593 140 HG21 ILE 15 1HG2 ILE 15 -3.101 -3.726 2.478 141 HG22 ILE 15 2HG2 ILE 15 -4.054 -2.254 2.767 142 HG23 ILE 15 3HG2 ILE 15 -4.652 -3.524 1.679 143 HD11 ILE 15 3HD1 ILE 15 -5.867 -2.549 -0.002 144 HD12 ILE 15 1HD1 ILE 15 -5.653 -1.381 -1.322 145 HD13 ILE 15 2HD1 ILE 15 -4.670 -2.857 -1.286 146 H LYS 16 H LYS 16 -0.106 -3.079 0.200 147 HA LYS 16 HA LYS 16 0.753 -4.704 2.445 148 HB2 LYS 16 1HB LYS 16 0.790 -5.203 -0.116 149 HB3 LYS 16 2HB LYS 16 2.272 -4.268 -0.146 150 HG2 LYS 16 1HG LYS 16 3.304 -6.217 0.223 151 HG3 LYS 16 2HG LYS 16 2.838 -6.038 1.914 152 HD2 LYS 16 1HD LYS 16 0.886 -7.482 1.585 153 HD3 LYS 16 2HD LYS 16 1.105 -7.443 -0.167 154 HE2 LYS 16 1HE LYS 16 2.262 -9.319 -0.039 155 HE3 LYS 16 2HE LYS 16 3.575 -8.372 0.649 156 HZ1 LYS 16 3HZ LYS 16 1.483 -9.811 2.201 157 HZ2 LYS 16 1HZ LYS 16 2.682 -8.917 2.874 158 HZ3 LYS 16 2HZ LYS 16 3.034 -10.276 2.041 159 H LEU 17 H LEU 17 2.076 -1.783 0.925 160 HA LEU 17 HA LEU 17 4.536 -1.641 2.363 161 HB2 LEU 17 1HB LEU 17 2.910 0.249 0.769 162 HB3 LEU 17 2HB LEU 17 3.803 1.024 2.049 163 HG LEU 17 HG LEU 17 5.031 1.094 0.003 164 HD11 LEU 17 1HD1 LEU 17 6.308 0.860 2.143 165 HD12 LEU 17 2HD1 LEU 17 7.173 0.313 0.693 166 HD13 LEU 17 3HD1 LEU 17 6.480 -0.879 1.803 167 HD21 LEU 17 3HD2 LEU 17 4.172 -0.883 -1.124 168 HD22 LEU 17 1HD2 LEU 17 5.021 -1.947 0.018 169 HD23 LEU 17 2HD2 LEU 17 5.944 -0.905 -1.077 170 H PHE 18 H PHE 18 1.298 -0.444 3.346 171 HA PHE 18 HA PHE 18 2.066 0.815 5.758 172 HB2 PHE 18 1HB PHE 18 -0.218 0.845 4.807 173 HB3 PHE 18 2HB PHE 18 -0.431 -0.844 5.249 174 HD1 PHE 18 HD1 PHE 18 -0.223 2.621 6.517 175 HD2 PHE 18 HD2 PHE 18 -0.723 -1.523 7.616 176 HE1 PHE 18 HE1 PHE 18 -1.010 3.308 8.772 177 HE2 PHE 18 HE2 PHE 18 -1.486 -0.829 9.875 178 HZ PHE 18 HZ PHE 18 -1.647 1.585 10.449 179 H ILE 19 H ILE 19 1.418 -2.651 5.221 180 HA ILE 19 HA ILE 19 1.870 -3.544 7.904 181 HB ILE 19 HB ILE 19 2.341 -5.125 5.345 182 HG12 ILE 19 1HG1 ILE 19 -0.234 -4.957 6.981 183 HG13 ILE 19 2HG1 ILE 19 0.026 -4.080 5.475 184 HG21 ILE 19 1HG2 ILE 19 3.292 -6.227 7.313 185 HG22 ILE 19 2HG2 ILE 19 1.785 -5.984 8.221 186 HG23 ILE 19 3HG2 ILE 19 1.843 -7.089 6.834 187 HD11 ILE 19 3HD1 ILE 19 -1.221 -6.003 4.908 188 HD12 ILE 19 1HD1 ILE 19 0.423 -6.262 4.295 189 HD13 ILE 19 2HD1 ILE 19 -0.126 -7.089 5.774 190 H MET 20 H MET 20 4.118 -3.138 5.160 191 HA MET 20 HA MET 20 6.481 -4.115 6.505 192 HB2 MET 20 1HB MET 20 6.160 -2.195 4.167 193 HB3 MET 20 2HB MET 20 7.697 -2.861 4.699 194 HG2 MET 20 1HG MET 20 5.578 -4.899 4.225 195 HG3 MET 20 2HG MET 20 6.035 -3.977 2.805 196 HE1 MET 20 3HE MET 20 7.374 -5.376 1.204 197 HE2 MET 20 1HE MET 20 8.331 -3.955 1.680 198 HE3 MET 20 2HE MET 20 9.110 -5.547 1.534 199 H ILE 21 H ILE 21 5.217 -0.783 6.094 200 HA ILE 21 HA ILE 21 7.319 0.574 7.487 201 HB ILE 21 HB ILE 21 4.409 1.331 7.013 202 HG12 ILE 21 1HG1 ILE 21 6.872 2.442 5.596 203 HG13 ILE 21 2HG1 ILE 21 6.042 1.019 5.000 204 HG21 ILE 21 1HG2 ILE 21 5.171 3.691 7.482 205 HG22 ILE 21 2HG2 ILE 21 5.213 2.655 8.896 206 HG23 ILE 21 3HG2 ILE 21 6.725 3.039 8.036 207 HD11 ILE 21 3HD1 ILE 21 3.892 2.357 4.904 208 HD12 ILE 21 1HD1 ILE 21 4.864 3.808 5.250 209 HD13 ILE 21 2HD1 ILE 21 5.166 2.867 3.781 210 H VAL 22 H VAL 22 4.040 -0.383 8.703 211 HA VAL 22 HA VAL 22 4.651 0.327 11.441 212 HB VAL 22 HB VAL 22 2.545 -1.602 10.395 213 HG11 VAL 22 1HG1 VAL 22 2.811 -0.219 13.106 214 HG12 VAL 22 2HG1 VAL 22 1.366 -1.088 12.540 215 HG13 VAL 22 3HG1 VAL 22 2.871 -1.968 12.798 216 HG21 VAL 22 3HG2 VAL 22 1.026 0.390 10.770 217 HG22 VAL 22 1HG2 VAL 22 2.455 1.382 11.116 218 HG23 VAL 22 2HG2 VAL 22 2.212 0.690 9.501 219 H GLY 23 H GLY 23 4.984 -2.768 9.647 220 HA2 GLY 23 1HA GLY 23 5.656 -4.431 11.772 221 HA3 GLY 23 2HA GLY 23 6.261 -4.611 10.123 222 H GLY 24 H GLY 24 7.615 -1.892 10.375 223 HA2 GLY 24 1HA GLY 24 10.054 -2.704 11.918 224 HA3 GLY 24 2HA GLY 24 10.001 -1.557 10.586 225 H LEU 25 H LEU 25 7.557 -0.185 11.808 226 HA LEU 25 HA LEU 25 9.020 1.521 13.743 227 HB2 LEU 25 1HB LEU 25 6.337 1.835 12.349 228 HB3 LEU 25 2HB LEU 25 6.998 2.995 13.492 229 HG LEU 25 HG LEU 25 8.220 2.269 10.797 230 HD11 LEU 25 1HD1 LEU 25 7.606 4.544 10.188 231 HD12 LEU 25 2HD1 LEU 25 6.983 4.858 11.824 232 HD13 LEU 25 3HD1 LEU 25 6.164 3.693 10.767 233 HD21 LEU 25 3HD2 LEU 25 9.757 4.192 11.246 234 HD22 LEU 25 1HD2 LEU 25 10.052 2.811 12.299 235 HD23 LEU 25 2HD2 LEU 25 9.175 4.230 12.927 236 H VAL 26 H VAL 26 6.444 -0.864 13.918 237 HA VAL 26 HA VAL 26 5.245 -0.074 16.359 238 HB VAL 26 HB VAL 26 4.420 -1.802 14.748 239 HG11 VAL 26 1HG1 VAL 26 6.526 -3.171 14.577 240 HG12 VAL 26 2HG1 VAL 26 6.214 -3.769 16.224 241 HG13 VAL 26 3HG1 VAL 26 5.068 -4.107 14.917 242 HG21 VAL 26 3HG2 VAL 26 3.375 -3.260 16.451 243 HG22 VAL 26 1HG2 VAL 26 4.409 -2.516 17.687 244 HG23 VAL 26 2HG2 VAL 26 3.241 -1.527 16.775 245 H LYS 27 H LYS 27 8.215 -1.822 15.803 246 HA LYS 27 HA LYS 27 8.676 -2.481 18.630 247 HB2 LYS 27 1HB LYS 27 10.575 -3.700 17.866 248 HB3 LYS 27 2HB LYS 27 9.256 -3.988 16.747 249 HG2 LYS 27 1HG LYS 27 10.856 -3.620 15.169 250 HG3 LYS 27 2HG LYS 27 10.400 -1.950 15.416 251 HD2 LYS 27 1HD LYS 27 12.589 -1.571 15.732 252 HD3 LYS 27 2HD LYS 27 12.380 -2.227 17.347 253 HE2 LYS 27 1HE LYS 27 13.237 -3.773 14.855 254 HE3 LYS 27 2HE LYS 27 14.318 -3.187 16.119 255 HZ1 LYS 27 3HZ LYS 27 13.791 -5.520 16.446 256 HZ2 LYS 27 1HZ LYS 27 12.193 -5.225 16.523 257 HZ3 LYS 27 2HZ LYS 27 13.192 -4.663 17.696 258 H LYS 28 H LYS 28 9.466 0.227 16.669 259 HA LYS 28 HA LYS 28 11.848 1.089 18.182 260 HB2 LYS 28 1HB LYS 28 10.208 2.442 16.000 261 HB3 LYS 28 2HB LYS 28 11.569 3.194 16.833 262 HG2 LYS 28 1HG LYS 28 12.996 1.179 16.086 263 HG3 LYS 28 2HG LYS 28 11.628 0.719 15.069 264 HD2 LYS 28 1HD LYS 28 13.015 1.972 13.616 265 HD3 LYS 28 2HD LYS 28 11.754 3.116 14.098 266 HE2 LYS 28 1HE LYS 28 13.514 3.665 16.059 267 HE3 LYS 28 2HE LYS 28 14.665 2.951 14.930 268 HZ1 LYS 28 3HZ LYS 28 14.518 5.337 14.608 269 HZ2 LYS 28 1HZ LYS 28 12.906 5.285 14.378 270 HZ3 LYS 28 2HZ LYS 28 13.913 4.616 13.274 Start of MODEL 9 1 H1 LYS 1 1H LYS 1 -11.501 9.095 -11.571 2 H2 LYS 1 2H LYS 1 -11.285 9.519 -10.009 3 H3 LYS 1 3H LYS 1 -10.550 8.185 -10.590 4 HA LYS 1 HA LYS 1 -12.413 7.554 -9.220 5 HB2 LYS 1 1HB LYS 1 -13.931 9.393 -11.089 6 HB3 LYS 1 2HB LYS 1 -14.744 8.074 -10.233 7 HG2 LYS 1 1HG LYS 1 -14.171 8.919 -8.088 8 HG3 LYS 1 2HG LYS 1 -13.042 10.116 -8.743 9 HD2 LYS 1 1HD LYS 1 -14.855 11.387 -9.749 10 HD3 LYS 1 2HD LYS 1 -16.026 10.115 -9.342 11 HE2 LYS 1 1HE LYS 1 -15.271 10.508 -6.873 12 HE3 LYS 1 2HE LYS 1 -14.559 12.012 -7.467 13 HZ1 LYS 1 3HZ LYS 1 -16.785 12.644 -8.273 14 HZ2 LYS 1 1HZ LYS 1 -16.838 12.341 -6.669 15 HZ3 LYS 1 2HZ LYS 1 -17.423 11.243 -7.722 16 H LYS 2 H LYS 2 -13.575 7.581 -12.636 17 HA LYS 2 HA LYS 2 -13.520 4.618 -12.615 18 HB2 LYS 2 1HB LYS 2 -14.424 6.465 -14.853 19 HB3 LYS 2 2HB LYS 2 -14.673 4.738 -14.707 20 HG2 LYS 2 1HG LYS 2 -16.660 5.190 -13.869 21 HG3 LYS 2 2HG LYS 2 -15.865 5.615 -12.364 22 HD2 LYS 2 1HD LYS 2 -16.054 7.926 -12.750 23 HD3 LYS 2 2HD LYS 2 -16.146 7.761 -14.502 24 HE2 LYS 2 1HE LYS 2 -18.362 6.919 -12.592 25 HE3 LYS 2 2HE LYS 2 -18.282 8.467 -13.442 26 HZ1 LYS 2 3HZ LYS 2 -19.642 6.951 -14.700 27 HZ2 LYS 2 1HZ LYS 2 -18.482 5.808 -14.748 28 HZ3 LYS 2 2HZ LYS 2 -18.280 7.213 -15.558 29 H LYS 3 H LYS 3 -11.356 4.085 -12.626 30 HA LYS 3 HA LYS 3 -9.919 4.487 -15.239 31 HB2 LYS 3 1HB LYS 3 -8.584 4.320 -12.502 32 HB3 LYS 3 2HB LYS 3 -7.791 4.433 -14.077 33 HG2 LYS 3 1HG LYS 3 -9.219 6.628 -14.360 34 HG3 LYS 3 2HG LYS 3 -9.329 6.560 -12.591 35 HD2 LYS 3 1HD LYS 3 -6.825 6.550 -12.470 36 HD3 LYS 3 2HD LYS 3 -6.763 6.558 -14.246 37 HE2 LYS 3 1HE LYS 3 -8.272 8.702 -14.042 38 HE3 LYS 3 2HE LYS 3 -7.697 8.753 -12.370 39 HZ1 LYS 3 3HZ LYS 3 -5.411 8.822 -13.255 40 HZ2 LYS 3 1HZ LYS 3 -6.285 10.066 -13.853 41 HZ3 LYS 3 2HZ LYS 3 -5.968 8.773 -14.792 42 H ASN 4 H ASN 4 -8.189 2.818 -15.581 43 HA ASN 4 HA ASN 4 -9.412 0.177 -15.599 44 HB2 ASN 4 1HB ASN 4 -6.590 1.106 -16.327 45 HB3 ASN 4 2HB ASN 4 -7.263 -0.477 -16.705 46 HD21 ASN 4 2HD2 ASN 4 -9.254 -0.512 -18.176 47 HD22 ASN 4 1HD2 ASN 4 -9.323 0.777 -19.370 48 H TRP 5 H TRP 5 -8.358 -1.776 -14.733 49 HA TRP 5 HA TRP 5 -7.896 -1.735 -11.959 50 HB2 TRP 5 1HB TRP 5 -7.352 -4.031 -12.159 51 HB3 TRP 5 2HB TRP 5 -8.582 -3.702 -13.366 52 HD1 TRP 5 HD1 TRP 5 -7.850 -3.922 -15.938 53 HE1 TRP 5 HE1 TRP 5 -5.809 -4.964 -17.115 54 HE3 TRP 5 HE3 TRP 5 -4.774 -4.502 -11.888 55 HZ2 TRP 5 HZ2 TRP 5 -3.183 -5.903 -16.395 56 HZ3 TRP 5 HZ3 TRP 5 -2.491 -5.453 -12.162 57 HH2 TRP 5 HH2 TRP 5 -1.689 -6.160 -14.404 58 H PHE 6 H PHE 6 -5.574 -1.363 -14.547 59 HA PHE 6 HA PHE 6 -3.138 -1.745 -13.153 60 HB2 PHE 6 1HB PHE 6 -3.771 -1.414 -15.711 61 HB3 PHE 6 2HB PHE 6 -3.415 0.273 -15.382 62 HD1 PHE 6 HD2 PHE 6 -2.093 -3.183 -15.470 63 HD2 PHE 6 HD1 PHE 6 -1.064 0.980 -15.037 64 HE1 PHE 6 HE2 PHE 6 0.306 -3.751 -15.772 65 HE2 PHE 6 HE1 PHE 6 1.338 0.413 -15.342 66 HZ PHE 6 HZ PHE 6 2.026 -1.951 -15.708 67 H ASP 7 H ASP 7 -5.314 1.022 -13.181 68 HA ASP 7 HA ASP 7 -3.422 2.841 -11.812 69 HB2 ASP 7 1HB ASP 7 -6.375 3.109 -12.499 70 HB3 ASP 7 2HB ASP 7 -5.383 4.359 -11.764 71 H ILE 8 H ILE 8 -6.307 0.882 -11.049 72 HA ILE 8 HA ILE 8 -6.606 1.691 -8.308 73 HB ILE 8 HB ILE 8 -7.329 -1.005 -9.520 74 HG12 ILE 8 1HG1 ILE 8 -8.390 0.662 -10.895 75 HG13 ILE 8 2HG1 ILE 8 -9.588 -0.119 -9.893 76 HG21 ILE 8 1HG2 ILE 8 -7.443 -1.090 -7.102 77 HG22 ILE 8 2HG2 ILE 8 -8.338 0.440 -7.034 78 HG23 ILE 8 3HG2 ILE 8 -9.089 -1.011 -7.733 79 HD11 ILE 8 3HD1 ILE 8 -9.651 1.869 -8.397 80 HD12 ILE 8 1HD1 ILE 8 -8.413 2.659 -9.405 81 HD13 ILE 8 2HD1 ILE 8 -10.006 2.289 -10.081 82 H THR 9 H THR 9 -4.858 -1.080 -9.729 83 HA THR 9 HA THR 9 -3.733 -2.095 -7.302 84 HB THR 9 HB THR 9 -1.883 -3.007 -8.794 85 HG1 THR 9 HG1 THR 9 -3.623 -2.179 -10.858 86 HG21 THR 9 3HG2 THR 9 -4.767 -3.654 -9.527 87 HG22 THR 9 1HG2 THR 9 -3.841 -4.340 -8.173 88 HG23 THR 9 2HG2 THR 9 -3.340 -4.674 -9.837 89 H ASN 10 H ASN 10 -2.617 0.622 -9.314 90 HA ASN 10 HA ASN 10 -0.044 0.892 -8.122 91 HB2 ASN 10 1HB ASN 10 -1.000 2.058 -10.217 92 HB3 ASN 10 2HB ASN 10 -1.748 3.213 -9.111 93 HD21 ASN 10 2HD2 ASN 10 1.418 1.762 -10.017 94 HD22 ASN 10 1HD2 ASN 10 2.335 3.196 -9.571 95 H TRP 11 H TRP 11 -3.185 2.289 -7.120 96 HA TRP 11 HA TRP 11 -2.121 3.577 -4.729 97 HB2 TRP 11 1HB TRP 11 -4.952 2.870 -5.587 98 HB3 TRP 11 2HB TRP 11 -4.557 3.716 -4.098 99 HD1 TRP 11 HD1 TRP 11 -4.985 4.285 -7.778 100 HE1 TRP 11 HE1 TRP 11 -4.702 6.784 -8.341 101 HE3 TRP 11 HE3 TRP 11 -3.217 5.946 -3.264 102 HZ2 TRP 11 HZ2 TRP 11 -3.831 9.180 -7.009 103 HZ3 TRP 11 HZ3 TRP 11 -2.677 8.353 -2.936 104 HH2 TRP 11 HH2 TRP 11 -2.977 9.973 -4.795 105 H LEU 12 H LEU 12 -3.818 0.480 -5.351 106 HA LEU 12 HA LEU 12 -3.975 -0.338 -2.649 107 HB2 LEU 12 1HB LEU 12 -5.096 -1.223 -4.819 108 HB3 LEU 12 2HB LEU 12 -3.727 -2.321 -4.932 109 HG LEU 12 HG LEU 12 -5.278 -2.125 -2.324 110 HD11 LEU 12 1HD1 LEU 12 -6.907 -3.779 -3.122 111 HD12 LEU 12 2HD1 LEU 12 -6.218 -3.689 -4.760 112 HD13 LEU 12 3HD1 LEU 12 -7.023 -2.275 -4.043 113 HD21 LEU 12 3HD2 LEU 12 -4.070 -4.516 -3.791 114 HD22 LEU 12 1HD2 LEU 12 -4.814 -4.528 -2.176 115 HD23 LEU 12 2HD2 LEU 12 -3.305 -3.656 -2.441 116 H TRP 13 H TRP 13 -1.248 -0.598 -4.893 117 HA TRP 13 HA TRP 13 0.429 -2.339 -3.459 118 HB2 TRP 13 1HB TRP 13 0.669 -0.986 -5.767 119 HB3 TRP 13 2HB TRP 13 1.633 0.080 -4.773 120 HD1 TRP 13 HD1 TRP 13 1.390 -3.558 -5.961 121 HE1 TRP 13 HE1 TRP 13 3.735 -4.626 -6.030 122 HE3 TRP 13 HE3 TRP 13 4.101 0.279 -3.907 123 HZ2 TRP 13 HZ2 TRP 13 6.412 -3.926 -5.264 124 HZ3 TRP 13 HZ3 TRP 13 6.563 0.051 -3.606 125 HH2 TRP 13 HH2 TRP 13 7.722 -2.042 -4.268 126 H TYR 14 H TYR 14 -0.265 1.069 -2.726 127 HA TYR 14 HA TYR 14 1.858 1.427 -0.801 128 HB2 TYR 14 1HB TYR 14 0.838 3.337 -1.854 129 HB3 TYR 14 2HB TYR 14 -0.753 2.894 -1.247 130 HD1 TYR 14 HD2 TYR 14 2.700 3.778 -0.017 131 HD2 TYR 14 HD1 TYR 14 -1.547 3.787 0.773 132 HE1 TYR 14 HE2 TYR 14 3.089 5.018 2.117 133 HE2 TYR 14 HE1 TYR 14 -1.152 5.027 2.890 134 HH TYR 14 HH TYR 14 0.396 5.957 4.285 135 H ILE 15 H ILE 15 -1.304 -0.101 -0.581 136 HA ILE 15 HA ILE 15 -1.660 0.034 2.263 137 HB ILE 15 HB ILE 15 -2.588 -2.162 0.381 138 HG12 ILE 15 1HG1 ILE 15 -3.384 -0.045 -0.512 139 HG13 ILE 15 2HG1 ILE 15 -4.712 -0.943 0.188 140 HG21 ILE 15 1HG2 ILE 15 -2.856 -2.896 2.641 141 HG22 ILE 15 2HG2 ILE 15 -3.535 -1.336 3.146 142 HG23 ILE 15 3HG2 ILE 15 -4.446 -2.404 2.056 143 HD11 ILE 15 3HD1 ILE 15 -4.906 1.432 0.692 144 HD12 ILE 15 1HD1 ILE 15 -4.622 0.551 2.203 145 HD13 ILE 15 2HD1 ILE 15 -3.298 1.462 1.429 146 H LYS 16 H LYS 16 0.125 -2.265 0.219 147 HA LYS 16 HA LYS 16 1.042 -3.931 2.434 148 HB2 LYS 16 1HB LYS 16 0.809 -4.736 0.123 149 HB3 LYS 16 2HB LYS 16 2.119 -3.669 -0.404 150 HG2 LYS 16 1HG LYS 16 3.743 -4.886 0.921 151 HG3 LYS 16 2HG LYS 16 2.466 -5.801 1.755 152 HD2 LYS 16 1HD LYS 16 1.857 -6.951 -0.308 153 HD3 LYS 16 2HD LYS 16 2.935 -5.920 -1.251 154 HE2 LYS 16 1HE LYS 16 3.964 -8.068 -1.000 155 HE3 LYS 16 2HE LYS 16 4.907 -6.875 -0.106 156 HZ1 LYS 16 3HZ LYS 16 4.509 -9.000 1.106 157 HZ2 LYS 16 1HZ LYS 16 2.913 -8.681 1.166 158 HZ3 LYS 16 2HZ LYS 16 3.977 -7.708 1.944 159 H LEU 17 H LEU 17 2.345 -1.024 0.891 160 HA LEU 17 HA LEU 17 4.950 -1.092 2.085 161 HB2 LEU 17 1HB LEU 17 3.274 0.961 0.767 162 HB3 LEU 17 2HB LEU 17 4.293 1.621 2.020 163 HG LEU 17 HG LEU 17 5.344 1.772 -0.139 164 HD11 LEU 17 1HD1 LEU 17 7.519 0.906 0.361 165 HD12 LEU 17 2HD1 LEU 17 6.871 -0.276 1.509 166 HD13 LEU 17 3HD1 LEU 17 6.779 1.460 1.875 167 HD21 LEU 17 3HD2 LEU 17 4.367 -0.152 -1.267 168 HD22 LEU 17 1HD2 LEU 17 5.277 -1.269 -0.228 169 HD23 LEU 17 2HD2 LEU 17 6.140 -0.206 -1.349 170 H PHE 18 H PHE 18 1.893 0.286 3.329 171 HA PHE 18 HA PHE 18 2.871 1.229 5.812 172 HB2 PHE 18 1HB PHE 18 0.596 1.633 4.893 173 HB3 PHE 18 2HB PHE 18 0.163 -0.035 5.248 174 HD1 PHE 18 HD1 PHE 18 1.144 3.228 6.772 175 HD2 PHE 18 HD2 PHE 18 -0.444 -0.721 7.499 176 HE1 PHE 18 HE1 PHE 18 0.475 3.915 9.064 177 HE2 PHE 18 HE2 PHE 18 -1.119 -0.023 9.786 178 HZ PHE 18 HZ PHE 18 -0.670 2.296 10.567 179 H ILE 19 H ILE 19 1.773 -2.083 4.987 180 HA ILE 19 HA ILE 19 2.181 -3.246 7.564 181 HB ILE 19 HB ILE 19 2.500 -4.674 4.898 182 HG12 ILE 19 1HG1 ILE 19 -0.035 -4.318 6.571 183 HG13 ILE 19 2HG1 ILE 19 0.307 -3.463 5.074 184 HG21 ILE 19 1HG2 ILE 19 1.813 -5.692 7.694 185 HG22 ILE 19 2HG2 ILE 19 1.865 -6.687 6.224 186 HG23 ILE 19 3HG2 ILE 19 3.342 -5.967 6.833 187 HD11 ILE 19 3HD1 ILE 19 0.483 -5.713 3.902 188 HD12 ILE 19 1HD1 ILE 19 -0.222 -6.423 5.374 189 HD13 ILE 19 2HD1 ILE 19 -1.127 -5.214 4.453 190 H MET 20 H MET 20 4.499 -2.858 4.835 191 HA MET 20 HA MET 20 6.679 -4.152 6.240 192 HB2 MET 20 1HB MET 20 6.744 -2.211 3.890 193 HB3 MET 20 2HB MET 20 8.146 -3.073 4.551 194 HG2 MET 20 1HG MET 20 6.769 -5.224 4.254 195 HG3 MET 20 2HG MET 20 5.690 -4.277 3.238 196 HE1 MET 20 3HE MET 20 6.299 -3.175 1.093 197 HE2 MET 20 1HE MET 20 7.941 -2.500 1.270 198 HE3 MET 20 2HE MET 20 7.604 -3.706 0.011 199 H ILE 21 H ILE 21 5.762 -0.694 6.015 200 HA ILE 21 HA ILE 21 7.996 0.307 7.537 201 HB ILE 21 HB ILE 21 5.202 1.434 7.096 202 HG12 ILE 21 1HG1 ILE 21 7.814 2.303 5.772 203 HG13 ILE 21 2HG1 ILE 21 6.771 1.087 5.061 204 HG21 ILE 21 1HG2 ILE 21 6.224 3.638 7.759 205 HG22 ILE 21 2HG2 ILE 21 6.143 2.490 9.081 206 HG23 ILE 21 3HG2 ILE 21 7.693 2.770 8.251 207 HD11 ILE 21 3HD1 ILE 21 6.069 3.998 5.539 208 HD12 ILE 21 1HD1 ILE 21 6.190 3.126 4.003 209 HD13 ILE 21 2HD1 ILE 21 4.860 2.762 5.117 210 H VAL 22 H VAL 22 4.603 -0.369 8.599 211 HA VAL 22 HA VAL 22 5.190 0.045 11.401 212 HB VAL 22 HB VAL 22 2.881 -1.472 10.148 213 HG11 VAL 22 1HG1 VAL 22 1.703 -0.906 12.287 214 HG12 VAL 22 2HG1 VAL 22 3.028 -2.038 12.511 215 HG13 VAL 22 3HG1 VAL 22 3.246 -0.326 12.953 216 HG21 VAL 22 3HG2 VAL 22 3.338 1.457 10.936 217 HG22 VAL 22 1HG2 VAL 22 2.795 0.832 9.369 218 HG23 VAL 22 2HG2 VAL 22 1.713 0.781 10.758 219 H GLY 23 H GLY 23 5.360 -2.862 9.339 220 HA2 GLY 23 1HA GLY 23 5.573 -4.820 11.276 221 HA3 GLY 23 2HA GLY 23 6.421 -4.865 9.724 222 H GLY 24 H GLY 24 7.972 -2.395 10.485 223 HA2 GLY 24 1HA GLY 24 10.001 -3.585 12.352 224 HA3 GLY 24 2HA GLY 24 10.332 -2.399 11.097 225 H LEU 25 H LEU 25 7.915 -0.734 11.901 226 HA LEU 25 HA LEU 25 9.183 0.711 14.137 227 HB2 LEU 25 1HB LEU 25 6.777 1.370 12.408 228 HB3 LEU 25 2HB LEU 25 7.400 2.403 13.686 229 HG LEU 25 HG LEU 25 8.857 1.665 11.117 230 HD11 LEU 25 1HD1 LEU 25 6.997 3.366 11.017 231 HD12 LEU 25 2HD1 LEU 25 8.591 4.015 10.594 232 HD13 LEU 25 3HD1 LEU 25 7.887 4.346 12.194 233 HD21 LEU 25 3HD2 LEU 25 10.560 1.862 12.834 234 HD22 LEU 25 1HD2 LEU 25 9.800 3.337 13.483 235 HD23 LEU 25 2HD2 LEU 25 10.558 3.341 11.874 236 H VAL 26 H VAL 26 6.476 -1.495 13.896 237 HA VAL 26 HA VAL 26 4.986 -0.634 16.156 238 HB VAL 26 HB VAL 26 4.281 -2.311 14.459 239 HG11 VAL 26 1HG1 VAL 26 5.813 -4.378 16.072 240 HG12 VAL 26 2HG1 VAL 26 4.793 -4.637 14.645 241 HG13 VAL 26 3HG1 VAL 26 6.314 -3.762 14.477 242 HG21 VAL 26 3HG2 VAL 26 2.649 -2.357 15.946 243 HG22 VAL 26 1HG2 VAL 26 3.298 -3.935 16.405 244 HG23 VAL 26 2HG2 VAL 26 3.721 -2.497 17.345 245 H LYS 27 H LYS 27 7.914 -2.558 16.000 246 HA LYS 27 HA LYS 27 7.941 -3.154 18.885 247 HB2 LYS 27 1HB LYS 27 9.740 -4.584 18.432 248 HB3 LYS 27 2HB LYS 27 8.660 -4.736 17.064 249 HG2 LYS 27 1HG LYS 27 10.522 -4.522 15.817 250 HG3 LYS 27 2HG LYS 27 10.347 -2.790 16.098 251 HD2 LYS 27 1HD LYS 27 11.899 -2.993 18.072 252 HD3 LYS 27 2HD LYS 27 12.018 -4.733 17.754 253 HE2 LYS 27 1HE LYS 27 12.809 -4.045 15.375 254 HE3 LYS 27 2HE LYS 27 13.017 -2.425 16.048 255 HZ1 LYS 27 3HZ LYS 27 14.347 -4.903 17.021 256 HZ2 LYS 27 1HZ LYS 27 14.517 -3.445 17.734 257 HZ3 LYS 27 2HZ LYS 27 15.080 -3.692 16.219 258 H LYS 28 H LYS 28 9.088 -0.589 16.987 259 HA LYS 28 HA LYS 28 11.400 0.246 18.596 260 HB2 LYS 28 1HB LYS 28 9.843 1.464 16.289 261 HB3 LYS 28 2HB LYS 28 11.094 2.361 17.121 262 HG2 LYS 28 1HG LYS 28 11.825 -0.396 16.128 263 HG3 LYS 28 2HG LYS 28 11.576 0.877 14.929 264 HD2 LYS 28 1HD LYS 28 13.215 2.322 16.035 265 HD3 LYS 28 2HD LYS 28 13.497 1.094 17.287 266 HE2 LYS 28 1HE LYS 28 14.406 -0.456 15.660 267 HE3 LYS 28 2HE LYS 28 13.898 0.568 14.310 268 HZ1 LYS 28 3HZ LYS 28 15.941 1.348 16.324 269 HZ2 LYS 28 1HZ LYS 28 15.487 2.243 15.034 270 HZ3 LYS 28 2HZ LYS 28 16.270 0.831 14.811 Start of MODEL 10 1 H1 LYS 1 1H LYS 1 -14.536 10.039 -17.079 2 H2 LYS 1 2H LYS 1 -15.028 10.460 -18.584 3 H3 LYS 1 3H LYS 1 -15.784 9.252 -17.788 4 HA LYS 1 HA LYS 1 -14.365 8.325 -19.473 5 HB2 LYS 1 1HB LYS 1 -12.719 10.415 -19.142 6 HB3 LYS 1 2HB LYS 1 -11.912 9.323 -18.016 7 HG2 LYS 1 1HG LYS 1 -12.019 7.594 -20.005 8 HG3 LYS 1 2HG LYS 1 -12.392 9.016 -20.998 9 HD2 LYS 1 1HD LYS 1 -10.268 10.086 -20.069 10 HD3 LYS 1 2HD LYS 1 -9.877 8.529 -19.331 11 HE2 LYS 1 1HE LYS 1 -10.307 9.047 -22.313 12 HE3 LYS 1 2HE LYS 1 -8.736 8.929 -21.519 13 HZ1 LYS 1 3HZ LYS 1 -9.355 6.830 -22.554 14 HZ2 LYS 1 1HZ LYS 1 -10.719 6.719 -21.673 15 HZ3 LYS 1 2HZ LYS 1 -9.258 6.623 -20.940 16 H LYS 2 H LYS 2 -14.277 6.173 -19.006 17 HA LYS 2 HA LYS 2 -14.358 5.187 -16.297 18 HB2 LYS 2 1HB LYS 2 -15.289 4.136 -18.543 19 HB3 LYS 2 2HB LYS 2 -13.667 3.485 -18.714 20 HG2 LYS 2 1HG LYS 2 -14.540 1.736 -17.562 21 HG3 LYS 2 2HG LYS 2 -14.156 2.702 -16.145 22 HD2 LYS 2 1HD LYS 2 -16.850 2.469 -17.561 23 HD3 LYS 2 2HD LYS 2 -16.412 1.773 -15.998 24 HE2 LYS 2 1HE LYS 2 -16.127 4.076 -15.066 25 HE3 LYS 2 2HE LYS 2 -16.615 4.751 -16.630 26 HZ1 LYS 2 3HZ LYS 2 -18.319 3.044 -14.898 27 HZ2 LYS 2 1HZ LYS 2 -18.768 3.624 -16.358 28 HZ3 LYS 2 2HZ LYS 2 -18.497 4.649 -15.119 29 H LYS 3 H LYS 3 -12.786 4.732 -14.929 30 HA LYS 3 HA LYS 3 -9.954 5.022 -15.607 31 HB2 LYS 3 1HB LYS 3 -11.332 4.125 -13.030 32 HB3 LYS 3 2HB LYS 3 -9.607 4.451 -13.167 33 HG2 LYS 3 1HG LYS 3 -11.792 6.504 -13.678 34 HG3 LYS 3 2HG LYS 3 -10.920 6.325 -12.163 35 HD2 LYS 3 1HD LYS 3 -9.070 7.423 -12.915 36 HD3 LYS 3 2HD LYS 3 -9.093 6.631 -14.475 37 HE2 LYS 3 1HE LYS 3 -9.467 8.888 -14.981 38 HE3 LYS 3 2HE LYS 3 -11.042 8.105 -15.148 39 HZ1 LYS 3 3HZ LYS 3 -11.233 10.177 -13.914 40 HZ2 LYS 3 1HZ LYS 3 -10.138 9.701 -12.804 41 HZ3 LYS 3 2HZ LYS 3 -11.589 8.950 -12.900 42 H ASN 4 H ASN 4 -8.396 3.390 -14.741 43 HA ASN 4 HA ASN 4 -9.086 0.625 -15.668 44 HB2 ASN 4 1HB ASN 4 -6.656 0.508 -16.391 45 HB3 ASN 4 2HB ASN 4 -7.709 1.545 -17.334 46 HD21 ASN 4 2HD2 ASN 4 -6.109 2.453 -14.190 47 HD22 ASN 4 1HD2 ASN 4 -5.121 3.677 -14.986 48 H TRP 5 H TRP 5 -8.143 -1.122 -14.621 49 HA TRP 5 HA TRP 5 -8.009 -1.133 -11.850 50 HB2 TRP 5 1HB TRP 5 -7.255 -3.376 -12.029 51 HB3 TRP 5 2HB TRP 5 -8.364 -3.083 -13.355 52 HD1 TRP 5 HD1 TRP 5 -7.147 -2.719 -15.850 53 HE1 TRP 5 HE1 TRP 5 -5.023 -3.787 -16.819 54 HE3 TRP 5 HE3 TRP 5 -5.033 -4.423 -11.508 55 HZ2 TRP 5 HZ2 TRP 5 -2.687 -5.154 -15.841 56 HZ3 TRP 5 HZ3 TRP 5 -2.852 -5.626 -11.560 57 HH2 TRP 5 HH2 TRP 5 -1.668 -5.983 -13.712 58 H PHE 6 H PHE 6 -5.362 -0.440 -14.021 59 HA PHE 6 HA PHE 6 -3.120 -0.643 -12.330 60 HB2 PHE 6 1HB PHE 6 -3.802 0.577 -14.898 61 HB3 PHE 6 2HB PHE 6 -2.735 1.623 -13.996 62 HD1 PHE 6 HD2 PHE 6 -0.454 0.939 -13.397 63 HD2 PHE 6 HD1 PHE 6 -3.048 -1.659 -15.661 64 HE1 PHE 6 HE2 PHE 6 1.507 -0.429 -14.075 65 HE2 PHE 6 HE1 PHE 6 -1.085 -3.025 -16.337 66 HZ PHE 6 HZ PHE 6 1.194 -2.410 -15.550 67 H ASP 7 H ASP 7 -5.673 1.745 -12.194 68 HA ASP 7 HA ASP 7 -4.168 3.654 -10.509 69 HB2 ASP 7 1HB ASP 7 -5.881 4.400 -12.164 70 HB3 ASP 7 2HB ASP 7 -7.120 3.539 -11.250 71 H ILE 8 H ILE 8 -6.753 1.231 -10.162 72 HA ILE 8 HA ILE 8 -7.243 1.555 -7.349 73 HB ILE 8 HB ILE 8 -7.610 -0.943 -9.051 74 HG12 ILE 8 1HG1 ILE 8 -8.806 0.819 -10.175 75 HG13 ILE 8 2HG1 ILE 8 -9.947 -0.239 -9.373 76 HG21 ILE 8 1HG2 ILE 8 -7.800 -1.488 -6.706 77 HG22 ILE 8 2HG2 ILE 8 -8.861 -0.101 -6.405 78 HG23 ILE 8 3HG2 ILE 8 -9.421 -1.465 -7.398 79 HD11 ILE 8 3HD1 ILE 8 -10.637 2.086 -9.136 80 HD12 ILE 8 1HD1 ILE 8 -10.216 1.446 -7.539 81 HD13 ILE 8 2HD1 ILE 8 -9.090 2.525 -8.398 82 H THR 9 H THR 9 -5.113 -0.698 -9.127 83 HA THR 9 HA THR 9 -3.958 -1.955 -6.823 84 HB THR 9 HB THR 9 -2.031 -2.532 -8.269 85 HG1 THR 9 HG1 THR 9 -3.540 -1.357 -10.339 86 HG21 THR 9 3HG2 THR 9 -3.252 -4.008 -9.755 87 HG22 THR 9 1HG2 THR 9 -4.747 -3.067 -9.538 88 HG23 THR 9 2HG2 THR 9 -4.049 -3.965 -8.174 89 H ASN 10 H ASN 10 -3.196 1.144 -8.336 90 HA ASN 10 HA ASN 10 -0.691 1.622 -7.080 91 HB2 ASN 10 1HB ASN 10 -2.249 2.971 -8.903 92 HB3 ASN 10 2HB ASN 10 -2.515 3.964 -7.478 93 HD21 ASN 10 2HD2 ASN 10 -0.100 2.689 -9.730 94 HD22 ASN 10 1HD2 ASN 10 1.140 3.871 -9.316 95 H TRP 11 H TRP 11 -4.001 2.332 -5.936 96 HA TRP 11 HA TRP 11 -3.180 3.382 -3.349 97 HB2 TRP 11 1HB TRP 11 -5.844 2.322 -4.363 98 HB3 TRP 11 2HB TRP 11 -5.596 3.035 -2.775 99 HD1 TRP 11 HD1 TRP 11 -6.243 3.964 -6.332 100 HE1 TRP 11 HE1 TRP 11 -6.352 6.514 -6.608 101 HE3 TRP 11 HE3 TRP 11 -4.484 5.351 -1.722 102 HZ2 TRP 11 HZ2 TRP 11 -5.762 8.858 -5.028 103 HZ3 TRP 11 HZ3 TRP 11 -4.274 7.761 -1.132 104 HH2 TRP 11 HH2 TRP 11 -4.907 9.515 -2.770 105 H LEU 12 H LEU 12 -4.314 0.153 -4.437 106 HA LEU 12 HA LEU 12 -4.187 -1.115 -1.877 107 HB2 LEU 12 1HB LEU 12 -4.009 -2.122 -4.713 108 HB3 LEU 12 2HB LEU 12 -3.791 -3.235 -3.378 109 HG LEU 12 HG LEU 12 -6.265 -1.473 -3.589 110 HD11 LEU 12 1HD1 LEU 12 -5.867 -4.322 -4.605 111 HD12 LEU 12 2HD1 LEU 12 -6.117 -2.877 -5.610 112 HD13 LEU 12 3HD1 LEU 12 -7.410 -3.439 -4.539 113 HD21 LEU 12 3HD2 LEU 12 -5.828 -2.483 -1.357 114 HD22 LEU 12 1HD2 LEU 12 -5.677 -4.084 -2.108 115 HD23 LEU 12 2HD2 LEU 12 -7.234 -3.231 -2.123 116 H TRP 13 H TRP 13 -1.551 -0.440 -4.155 117 HA TRP 13 HA TRP 13 0.431 -2.089 -3.020 118 HB2 TRP 13 1HB TRP 13 0.376 -0.413 -5.113 119 HB3 TRP 13 2HB TRP 13 1.194 0.651 -3.991 120 HD1 TRP 13 HD1 TRP 13 1.491 -2.805 -5.638 121 HE1 TRP 13 HE1 TRP 13 3.974 -3.451 -5.892 122 HE3 TRP 13 HE3 TRP 13 3.629 1.147 -3.166 123 HZ2 TRP 13 HZ2 TRP 13 6.533 -2.409 -5.110 124 HZ3 TRP 13 HZ3 TRP 13 6.105 1.298 -2.947 125 HH2 TRP 13 HH2 TRP 13 7.560 -0.472 -3.907 126 H TYR 14 H TYR 14 -0.786 1.007 -1.807 127 HA TYR 14 HA TYR 14 1.285 1.465 0.137 128 HB2 TYR 14 1HB TYR 14 -0.117 3.270 -0.638 129 HB3 TYR 14 2HB TYR 14 -1.566 2.464 -0.045 130 HD1 TYR 14 HD2 TYR 14 1.770 3.709 1.219 131 HD2 TYR 14 HD1 TYR 14 -2.414 3.043 2.057 132 HE1 TYR 14 HE2 TYR 14 2.051 4.734 3.480 133 HE2 TYR 14 HE1 TYR 14 -2.131 4.079 4.300 134 HH TYR 14 HH TYR 14 -0.682 5.047 5.774 135 H ILE 15 H ILE 15 -1.569 -0.603 0.186 136 HA ILE 15 HA ILE 15 -1.792 -0.973 3.025 137 HB ILE 15 HB ILE 15 -2.427 -2.988 0.841 138 HG12 ILE 15 1HG1 ILE 15 -3.632 -0.973 0.288 139 HG13 ILE 15 2HG1 ILE 15 -4.751 -2.155 0.933 140 HG21 ILE 15 1HG2 ILE 15 -2.435 -4.068 2.996 141 HG22 ILE 15 2HG2 ILE 15 -3.416 -2.772 3.707 142 HG23 ILE 15 3HG2 ILE 15 -4.103 -3.848 2.471 143 HD11 ILE 15 3HD1 ILE 15 -5.294 0.063 1.760 144 HD12 ILE 15 1HD1 ILE 15 -4.738 -0.921 3.125 145 HD13 ILE 15 2HD1 ILE 15 -3.657 0.292 2.391 146 H LYS 16 H LYS 16 0.280 -2.559 0.601 147 HA LYS 16 HA LYS 16 1.477 -4.337 2.585 148 HB2 LYS 16 1HB LYS 16 1.243 -4.611 -0.031 149 HB3 LYS 16 2HB LYS 16 2.792 -3.781 -0.084 150 HG2 LYS 16 1HG LYS 16 2.595 -6.025 1.908 151 HG3 LYS 16 2HG LYS 16 2.349 -6.521 0.250 152 HD2 LYS 16 1HD LYS 16 4.749 -4.825 0.999 153 HD3 LYS 16 2HD LYS 16 4.761 -6.563 1.283 154 HE2 LYS 16 1HE LYS 16 3.965 -5.509 -1.445 155 HE3 LYS 16 2HE LYS 16 5.673 -5.555 -0.998 156 HZ1 LYS 16 3HZ LYS 16 5.488 -7.928 -0.613 157 HZ2 LYS 16 1HZ LYS 16 4.970 -7.603 -2.121 158 HZ3 LYS 16 2HZ LYS 16 3.888 -7.934 -0.945 159 H LEU 17 H LEU 17 2.228 -1.113 1.447 160 HA LEU 17 HA LEU 17 4.876 -0.894 2.559 161 HB2 LEU 17 1HB LEU 17 2.843 0.962 1.490 162 HB3 LEU 17 2HB LEU 17 3.744 1.659 2.810 163 HG LEU 17 HG LEU 17 4.692 2.214 0.654 164 HD11 LEU 17 1HD1 LEU 17 7.014 1.735 1.082 165 HD12 LEU 17 2HD1 LEU 17 6.601 0.407 2.181 166 HD13 LEU 17 3HD1 LEU 17 6.190 2.079 2.614 167 HD21 LEU 17 3HD2 LEU 17 5.261 -0.756 0.306 168 HD22 LEU 17 1HD2 LEU 17 5.847 0.556 -0.726 169 HD23 LEU 17 2HD2 LEU 17 4.108 0.220 -0.625 170 H PHE 18 H PHE 18 1.670 -0.324 4.023 171 HA PHE 18 HA PHE 18 2.481 0.593 6.566 172 HB2 PHE 18 1HB PHE 18 0.149 0.514 5.831 173 HB3 PHE 18 2HB PHE 18 0.173 -1.243 5.832 174 HD1 PHE 18 HD2 PHE 18 0.151 1.780 7.983 175 HD2 PHE 18 HD1 PHE 18 0.029 -2.534 7.906 176 HE1 PHE 18 HE2 PHE 18 -0.589 1.754 10.355 177 HE2 PHE 18 HE1 PHE 18 -0.687 -2.552 10.285 178 HZ PHE 18 HZ PHE 18 -1.024 -0.410 11.502 179 H ILE 19 H ILE 19 2.205 -2.797 5.457 180 HA ILE 19 HA ILE 19 3.047 -4.052 7.886 181 HB ILE 19 HB ILE 19 3.371 -5.032 5.023 182 HG12 ILE 19 1HG1 ILE 19 1.215 -5.762 7.059 183 HG13 ILE 19 2HG1 ILE 19 0.986 -4.517 5.836 184 HG21 ILE 19 1HG2 ILE 19 3.537 -6.546 7.671 185 HG22 ILE 19 2HG2 ILE 19 3.533 -7.301 6.065 186 HG23 ILE 19 3HG2 ILE 19 4.872 -6.273 6.530 187 HD11 ILE 19 3HD1 ILE 19 1.466 -7.460 5.263 188 HD12 ILE 19 1HD1 ILE 19 -0.025 -6.537 5.045 189 HD13 ILE 19 2HD1 ILE 19 1.385 -6.176 4.035 190 H MET 20 H MET 20 4.987 -2.844 5.111 191 HA MET 20 HA MET 20 7.512 -3.710 6.219 192 HB2 MET 20 1HB MET 20 7.056 -1.483 4.191 193 HB3 MET 20 2HB MET 20 8.574 -2.311 4.561 194 HG2 MET 20 1HG MET 20 7.111 -4.483 4.011 195 HG3 MET 20 2HG MET 20 6.167 -3.327 3.083 196 HE1 MET 20 3HE MET 20 7.173 -1.806 1.225 197 HE2 MET 20 1HE MET 20 8.788 -1.389 1.851 198 HE3 MET 20 2HE MET 20 8.624 -2.204 0.281 199 H ILE 21 H ILE 21 5.763 -0.608 6.505 200 HA ILE 21 HA ILE 21 7.795 0.780 8.018 201 HB ILE 21 HB ILE 21 4.785 1.171 7.807 202 HG12 ILE 21 1HG1 ILE 21 6.954 2.949 6.625 203 HG13 ILE 21 2HG1 ILE 21 6.385 1.535 5.751 204 HG21 ILE 21 1HG2 ILE 21 5.462 2.187 9.907 205 HG22 ILE 21 2HG2 ILE 21 6.883 2.941 9.144 206 HG23 ILE 21 3HG2 ILE 21 5.242 3.482 8.745 207 HD11 ILE 21 3HD1 ILE 21 5.179 3.497 4.985 208 HD12 ILE 21 1HD1 ILE 21 4.061 2.389 5.798 209 HD13 ILE 21 2HD1 ILE 21 4.620 3.859 6.625 210 H VAL 22 H VAL 22 4.779 -0.860 9.141 211 HA VAL 22 HA VAL 22 5.391 -0.594 11.951 212 HB VAL 22 HB VAL 22 3.553 -2.563 10.553 213 HG11 VAL 22 1HG1 VAL 22 2.376 -2.658 12.761 214 HG12 VAL 22 2HG1 VAL 22 3.984 -3.378 12.812 215 HG13 VAL 22 3HG1 VAL 22 3.722 -1.753 13.492 216 HG21 VAL 22 3HG2 VAL 22 3.071 0.155 11.910 217 HG22 VAL 22 1HG2 VAL 22 2.896 -0.178 10.178 218 HG23 VAL 22 2HG2 VAL 22 1.791 -0.924 11.331 219 H GLY 23 H GLY 23 6.177 -3.154 9.582 220 HA2 GLY 23 1HA GLY 23 7.118 -5.111 11.299 221 HA3 GLY 23 2HA GLY 23 7.770 -4.808 9.683 222 H GLY 24 H GLY 24 8.646 -2.041 10.590 223 HA2 GLY 24 1HA GLY 24 11.161 -2.764 12.049 224 HA3 GLY 24 2HA GLY 24 10.935 -1.376 10.994 225 H LEU 25 H LEU 25 8.268 -0.740 12.340 226 HA LEU 25 HA LEU 25 9.385 0.758 14.638 227 HB2 LEU 25 1HB LEU 25 6.707 0.898 13.214 228 HB3 LEU 25 2HB LEU 25 7.140 1.891 14.599 229 HG LEU 25 HG LEU 25 8.536 1.947 11.889 230 HD11 LEU 25 1HD1 LEU 25 7.517 4.156 11.690 231 HD12 LEU 25 2HD1 LEU 25 6.788 4.007 13.304 232 HD13 LEU 25 3HD1 LEU 25 6.249 2.954 11.982 233 HD21 LEU 25 3HD2 LEU 25 9.021 3.596 14.410 234 HD22 LEU 25 1HD2 LEU 25 9.663 3.989 12.800 235 HD23 LEU 25 2HD2 LEU 25 10.180 2.510 13.606 236 H VAL 26 H VAL 26 7.292 -2.031 14.238 237 HA VAL 26 HA VAL 26 5.908 -1.932 16.703 238 HB VAL 26 HB VAL 26 5.473 -3.440 14.748 239 HG11 VAL 26 1HG1 VAL 26 6.502 -5.601 14.572 240 HG12 VAL 26 2HG1 VAL 26 7.778 -4.385 14.490 241 HG13 VAL 26 3HG1 VAL 26 7.524 -5.310 15.991 242 HG21 VAL 26 3HG2 VAL 26 4.158 -3.734 16.678 243 HG22 VAL 26 1HG2 VAL 26 4.622 -5.338 16.097 244 HG23 VAL 26 2HG2 VAL 26 5.434 -4.651 17.516 245 H LYS 27 H LYS 27 9.166 -2.948 16.058 246 HA LYS 27 HA LYS 27 9.688 -3.947 18.795 247 HB2 LYS 27 1HB LYS 27 11.805 -4.675 17.925 248 HB3 LYS 27 2HB LYS 27 10.529 -5.125 16.813 249 HG2 LYS 27 1HG LYS 27 11.869 -4.300 15.203 250 HG3 LYS 27 2HG LYS 27 11.247 -2.738 15.694 251 HD2 LYS 27 1HD LYS 27 13.603 -2.537 15.496 252 HD3 LYS 27 2HD LYS 27 13.263 -2.495 17.232 253 HE2 LYS 27 1HE LYS 27 13.953 -4.819 17.487 254 HE3 LYS 27 2HE LYS 27 14.029 -5.042 15.736 255 HZ1 LYS 27 3HZ LYS 27 16.235 -4.706 16.687 256 HZ2 LYS 27 1HZ LYS 27 15.821 -3.247 17.284 257 HZ3 LYS 27 2HZ LYS 27 15.889 -3.487 15.664 258 H LYS 28 H LYS 28 9.802 -0.923 17.343 259 HA LYS 28 HA LYS 28 12.041 0.211 18.941 260 HB2 LYS 28 1HB LYS 28 10.234 1.295 16.746 261 HB3 LYS 28 2HB LYS 28 11.310 2.339 17.655 262 HG2 LYS 28 1HG LYS 28 12.372 -0.123 16.212 263 HG3 LYS 28 2HG LYS 28 12.139 1.421 15.386 264 HD2 LYS 28 1HD LYS 28 13.651 2.557 16.931 265 HD3 LYS 28 2HD LYS 28 13.855 1.074 17.884 266 HE2 LYS 28 1HE LYS 28 14.827 -0.062 15.897 267 HE3 LYS 28 2HE LYS 28 14.640 1.424 14.956 268 HZ1 LYS 28 3HZ LYS 28 16.894 1.209 15.855 269 HZ2 LYS 28 1HZ LYS 28 16.335 1.162 17.388 270 HZ3 LYS 28 2HZ LYS 28 16.171 2.522 16.499 Start of MODEL 11 1 H1 LYS 1 1H LYS 1 -8.031 8.820 -5.340 2 H2 LYS 1 2H LYS 1 -8.739 7.351 -5.483 3 H3 LYS 1 3H LYS 1 -7.503 7.754 -6.467 4 HA LYS 1 HA LYS 1 -10.054 9.235 -6.456 5 HB2 LYS 1 1HB LYS 1 -7.826 9.046 -8.538 6 HB3 LYS 1 2HB LYS 1 -9.318 9.953 -8.745 7 HG2 LYS 1 1HG LYS 1 -8.643 11.711 -7.455 8 HG3 LYS 1 2HG LYS 1 -7.791 10.702 -6.298 9 HD2 LYS 1 1HD LYS 1 -6.144 12.021 -7.363 10 HD3 LYS 1 2HD LYS 1 -5.938 10.371 -7.957 11 HE2 LYS 1 1HE LYS 1 -7.218 11.014 -10.035 12 HE3 LYS 1 2HE LYS 1 -7.341 12.664 -9.413 13 HZ1 LYS 1 3HZ LYS 1 -4.897 12.774 -9.421 14 HZ2 LYS 1 1HZ LYS 1 -5.452 12.463 -10.919 15 HZ3 LYS 1 2HZ LYS 1 -4.785 11.265 -10.027 16 H LYS 2 H LYS 2 -11.524 8.736 -8.263 17 HA LYS 2 HA LYS 2 -12.024 5.876 -8.527 18 HB2 LYS 2 1HB LYS 2 -13.714 7.802 -8.208 19 HB3 LYS 2 2HB LYS 2 -13.526 8.110 -9.936 20 HG2 LYS 2 1HG LYS 2 -14.175 5.636 -10.303 21 HG3 LYS 2 2HG LYS 2 -14.500 5.559 -8.565 22 HD2 LYS 2 1HD LYS 2 -16.136 7.456 -8.844 23 HD3 LYS 2 2HD LYS 2 -15.864 7.382 -10.599 24 HE2 LYS 2 1HE LYS 2 -16.683 5.075 -10.676 25 HE3 LYS 2 2HE LYS 2 -16.807 5.022 -8.913 26 HZ1 LYS 2 3HZ LYS 2 -18.515 6.751 -9.038 27 HZ2 LYS 2 1HZ LYS 2 -18.965 5.461 -9.927 28 HZ3 LYS 2 2HZ LYS 2 -18.410 6.805 -10.668 29 H LYS 3 H LYS 3 -9.719 5.928 -9.595 30 HA LYS 3 HA LYS 3 -9.593 6.253 -12.523 31 HB2 LYS 3 1HB LYS 3 -7.760 5.022 -10.417 32 HB3 LYS 3 2HB LYS 3 -7.389 4.973 -12.135 33 HG2 LYS 3 1HG LYS 3 -8.107 7.695 -11.194 34 HG3 LYS 3 2HG LYS 3 -6.686 7.025 -10.397 35 HD2 LYS 3 1HD LYS 3 -5.499 6.744 -12.410 36 HD3 LYS 3 2HD LYS 3 -6.929 6.914 -13.430 37 HE2 LYS 3 1HE LYS 3 -5.962 9.189 -11.664 38 HE3 LYS 3 2HE LYS 3 -5.223 8.882 -13.237 39 HZ1 LYS 3 3HZ LYS 3 -8.124 9.411 -12.851 40 HZ2 LYS 3 1HZ LYS 3 -7.387 9.138 -14.282 41 HZ3 LYS 3 2HZ LYS 3 -7.038 10.482 -13.438 42 H ASN 4 H ASN 4 -8.892 4.362 -13.853 43 HA ASN 4 HA ASN 4 -11.028 2.453 -13.943 44 HB2 ASN 4 1HB ASN 4 -8.917 3.357 -15.680 45 HB3 ASN 4 2HB ASN 4 -8.717 1.622 -15.530 46 HD21 ASN 4 2HD2 ASN 4 -10.730 4.176 -16.823 47 HD22 ASN 4 1HD2 ASN 4 -11.866 3.089 -17.612 48 H TRP 5 H TRP 5 -10.817 0.076 -14.010 49 HA TRP 5 HA TRP 5 -9.798 -1.024 -11.603 50 HB2 TRP 5 1HB TRP 5 -10.417 -3.154 -12.482 51 HB3 TRP 5 2HB TRP 5 -11.640 -1.987 -12.953 52 HD1 TRP 5 HD1 TRP 5 -11.866 -1.437 -15.560 53 HE1 TRP 5 HE1 TRP 5 -11.036 -2.611 -17.690 54 HE3 TRP 5 HE3 TRP 5 -8.403 -4.593 -13.466 55 HZ2 TRP 5 HZ2 TRP 5 -9.132 -4.651 -18.397 56 HZ3 TRP 5 HZ3 TRP 5 -7.076 -6.126 -14.907 57 HH2 TRP 5 HH2 TRP 5 -7.434 -6.168 -17.362 58 H PHE 6 H PHE 6 -8.298 -0.848 -14.803 59 HA PHE 6 HA PHE 6 -6.025 -2.485 -14.278 60 HB2 PHE 6 1HB PHE 6 -6.995 -0.896 -16.427 61 HB3 PHE 6 2HB PHE 6 -5.411 -0.249 -16.061 62 HD1 PHE 6 HD2 PHE 6 -3.599 -2.316 -15.505 63 HD2 PHE 6 HD1 PHE 6 -7.028 -2.490 -18.123 64 HE1 PHE 6 HE2 PHE 6 -2.572 -4.211 -16.734 65 HE2 PHE 6 HE1 PHE 6 -5.989 -4.374 -19.354 66 HZ PHE 6 HZ PHE 6 -3.765 -5.247 -18.656 67 H ASP 7 H ASP 7 -6.642 0.925 -13.496 68 HA ASP 7 HA ASP 7 -3.913 1.583 -12.812 69 HB2 ASP 7 1HB ASP 7 -6.189 3.039 -13.317 70 HB3 ASP 7 2HB ASP 7 -6.122 3.132 -11.561 71 H ILE 8 H ILE 8 -6.455 -0.047 -11.080 72 HA ILE 8 HA ILE 8 -5.596 0.393 -8.386 73 HB ILE 8 HB ILE 8 -6.905 -2.097 -9.511 74 HG12 ILE 8 1HG1 ILE 8 -8.277 -0.162 -10.096 75 HG13 ILE 8 2HG1 ILE 8 -9.060 -1.127 -8.867 76 HG21 ILE 8 1HG2 ILE 8 -6.122 -2.581 -7.293 77 HG22 ILE 8 2HG2 ILE 8 -6.733 -1.041 -6.663 78 HG23 ILE 8 3HG2 ILE 8 -7.858 -2.313 -7.189 79 HD11 ILE 8 3HD1 ILE 8 -9.357 1.263 -8.441 80 HD12 ILE 8 1HD1 ILE 8 -8.407 0.543 -7.133 81 HD13 ILE 8 2HD1 ILE 8 -7.606 1.517 -8.392 82 H THR 9 H THR 9 -4.102 -1.429 -10.933 83 HA THR 9 HA THR 9 -2.482 -3.227 -9.443 84 HB THR 9 HB THR 9 -2.761 -3.061 -11.970 85 HG1 THR 9 HG1 THR 9 -0.715 -3.977 -12.253 86 HG21 THR 9 3HG2 THR 9 -0.288 -1.278 -11.825 87 HG22 THR 9 1HG2 THR 9 -1.909 -0.661 -12.204 88 HG23 THR 9 2HG2 THR 9 -1.145 -1.852 -13.266 89 H ASN 10 H ASN 10 -2.166 0.266 -9.920 90 HA ASN 10 HA ASN 10 0.503 0.478 -8.810 91 HB2 ASN 10 1HB ASN 10 -1.450 2.285 -10.017 92 HB3 ASN 10 2HB ASN 10 -0.862 2.963 -8.509 93 HD21 ASN 10 2HD2 ASN 10 0.152 1.744 -11.712 94 HD22 ASN 10 1HD2 ASN 10 1.708 2.564 -11.655 95 H TRP 11 H TRP 11 -2.766 0.577 -7.421 96 HA TRP 11 HA TRP 11 -1.814 1.289 -4.746 97 HB2 TRP 11 1HB TRP 11 -4.487 0.282 -5.769 98 HB3 TRP 11 2HB TRP 11 -4.149 0.639 -4.079 99 HD1 TRP 11 HD1 TRP 11 -5.392 2.292 -7.112 100 HE1 TRP 11 HE1 TRP 11 -5.419 4.852 -6.864 101 HE3 TRP 11 HE3 TRP 11 -2.555 2.734 -2.865 102 HZ2 TRP 11 HZ2 TRP 11 -4.320 6.835 -5.079 103 HZ3 TRP 11 HZ3 TRP 11 -2.031 4.976 -1.933 104 HH2 TRP 11 HH2 TRP 11 -2.908 7.028 -3.024 105 H LEU 12 H LEU 12 -2.573 -1.724 -6.433 106 HA LEU 12 HA LEU 12 -2.483 -3.579 -4.367 107 HB2 LEU 12 1HB LEU 12 -2.236 -3.559 -7.250 108 HB3 LEU 12 2HB LEU 12 -1.071 -4.694 -6.630 109 HG LEU 12 HG LEU 12 -3.815 -4.898 -5.422 110 HD11 LEU 12 1HD1 LEU 12 -4.740 -6.099 -7.347 111 HD12 LEU 12 2HD1 LEU 12 -3.311 -5.671 -8.319 112 HD13 LEU 12 3HD1 LEU 12 -4.415 -4.404 -7.735 113 HD21 LEU 12 3HD2 LEU 12 -1.931 -6.959 -6.651 114 HD22 LEU 12 1HD2 LEU 12 -3.378 -7.294 -5.677 115 HD23 LEU 12 2HD2 LEU 12 -1.972 -6.510 -4.931 116 H TRP 13 H TRP 13 0.432 -2.365 -6.111 117 HA TRP 13 HA TRP 13 2.202 -3.716 -4.198 118 HB2 TRP 13 1HB TRP 13 4.010 -2.866 -5.393 119 HB3 TRP 13 2HB TRP 13 2.815 -3.328 -6.587 120 HD1 TRP 13 HD1 TRP 13 2.022 -1.487 -8.239 121 HE1 TRP 13 HE1 TRP 13 2.638 1.003 -8.646 122 HE3 TRP 13 HE3 TRP 13 4.965 -0.645 -4.127 123 HZ2 TRP 13 HZ2 TRP 13 3.978 3.102 -7.264 124 HZ3 TRP 13 HZ3 TRP 13 5.977 1.597 -3.760 125 HH2 TRP 13 HH2 TRP 13 5.431 3.490 -5.262 126 H TYR 14 H TYR 14 0.756 -0.488 -4.390 127 HA TYR 14 HA TYR 14 2.510 0.827 -2.558 128 HB2 TYR 14 1HB TYR 14 0.767 1.839 -4.125 129 HB3 TYR 14 2HB TYR 14 -0.437 1.441 -2.906 130 HD1 TYR 14 HD1 TYR 14 -0.205 2.516 -0.571 131 HD2 TYR 14 HD2 TYR 14 2.142 3.740 -3.983 132 HE1 TYR 14 HE1 TYR 14 0.343 4.654 0.572 133 HE2 TYR 14 HE2 TYR 14 2.668 5.894 -2.840 134 HH TYR 14 HH TYR 14 1.456 6.648 0.445 135 H ILE 15 H ILE 15 -0.472 -1.059 -1.983 136 HA ILE 15 HA ILE 15 -0.699 -0.618 0.821 137 HB ILE 15 HB ILE 15 -1.510 -3.043 -0.814 138 HG12 ILE 15 1HG1 ILE 15 -3.435 -0.904 0.165 139 HG13 ILE 15 2HG1 ILE 15 -2.496 -0.569 -1.266 140 HG21 ILE 15 1HG2 ILE 15 -2.397 -2.161 1.976 141 HG22 ILE 15 2HG2 ILE 15 -3.192 -3.429 1.025 142 HG23 ILE 15 3HG2 ILE 15 -1.532 -3.657 1.563 143 HD11 ILE 15 3HD1 ILE 15 -4.605 -1.501 -1.957 144 HD12 ILE 15 1HD1 ILE 15 -3.329 -2.674 -2.327 145 HD13 ILE 15 2HD1 ILE 15 -4.388 -2.925 -0.919 146 H LYS 16 H LYS 16 1.475 -2.796 -0.914 147 HA LYS 16 HA LYS 16 2.383 -4.373 1.318 148 HB2 LYS 16 1HB LYS 16 2.716 -4.829 -1.127 149 HB3 LYS 16 2HB LYS 16 3.940 -3.571 -1.179 150 HG2 LYS 16 1HG LYS 16 4.172 -5.973 0.671 151 HG3 LYS 16 2HG LYS 16 4.651 -6.021 -1.025 152 HD2 LYS 16 1HD LYS 16 6.179 -3.994 -0.531 153 HD3 LYS 16 2HD LYS 16 5.864 -4.328 1.173 154 HE2 LYS 16 1HE LYS 16 7.844 -5.457 0.823 155 HE3 LYS 16 2HE LYS 16 6.632 -6.735 0.718 156 HZ1 LYS 16 3HZ LYS 16 6.786 -6.544 -1.732 157 HZ2 LYS 16 1HZ LYS 16 8.249 -6.878 -1.092 158 HZ3 LYS 16 2HZ LYS 16 7.915 -5.366 -1.599 159 H LEU 17 H LEU 17 3.321 -1.148 0.202 160 HA LEU 17 HA LEU 17 5.629 -0.748 1.854 161 HB2 LEU 17 1HB LEU 17 3.598 1.386 1.143 162 HB3 LEU 17 2HB LEU 17 5.285 1.619 1.548 163 HG LEU 17 HG LEU 17 4.294 0.233 -0.984 164 HD11 LEU 17 1HD1 LEU 17 4.646 2.261 -2.125 165 HD12 LEU 17 2HD1 LEU 17 5.540 2.992 -0.774 166 HD13 LEU 17 3HD1 LEU 17 3.783 2.741 -0.679 167 HD21 LEU 17 3HD2 LEU 17 6.553 -0.508 -0.323 168 HD22 LEU 17 1HD2 LEU 17 7.077 1.182 -0.173 169 HD23 LEU 17 2HD2 LEU 17 6.622 0.519 -1.758 170 H PHE 18 H PHE 18 2.154 -0.281 2.548 171 HA PHE 18 HA PHE 18 2.385 0.895 5.124 172 HB2 PHE 18 1HB PHE 18 0.289 0.701 3.778 173 HB3 PHE 18 2HB PHE 18 0.235 -1.018 4.147 174 HD1 PHE 18 HD2 PHE 18 -0.065 2.388 5.590 175 HD2 PHE 18 HD1 PHE 18 -0.487 -1.847 6.312 176 HE1 PHE 18 HE2 PHE 18 -1.322 2.865 7.680 177 HE2 PHE 18 HE1 PHE 18 -1.730 -1.363 8.408 178 HZ PHE 18 HZ PHE 18 -2.165 0.991 9.083 179 H ILE 19 H ILE 19 2.318 -2.568 4.214 180 HA ILE 19 HA ILE 19 2.507 -3.664 6.841 181 HB ILE 19 HB ILE 19 3.713 -4.844 4.307 182 HG12 ILE 19 1HG1 ILE 19 0.907 -5.236 5.454 183 HG13 ILE 19 2HG1 ILE 19 1.282 -4.274 4.025 184 HG21 ILE 19 1HG2 ILE 19 3.456 -7.002 5.490 185 HG22 ILE 19 2HG2 ILE 19 4.489 -5.928 6.405 186 HG23 ILE 19 3HG2 ILE 19 2.802 -6.158 6.908 187 HD11 ILE 19 3HD1 ILE 19 1.588 -7.278 4.276 188 HD12 ILE 19 1HD1 ILE 19 0.470 -6.367 3.255 189 HD13 ILE 19 2HD1 ILE 19 2.211 -6.318 2.910 190 H MET 20 H MET 20 5.104 -2.616 4.603 191 HA MET 20 HA MET 20 7.258 -3.317 6.403 192 HB2 MET 20 1HB MET 20 7.286 -1.363 4.063 193 HB3 MET 20 2HB MET 20 8.696 -2.000 4.926 194 HG2 MET 20 1HG MET 20 7.745 -4.341 4.381 195 HG3 MET 20 2HG MET 20 6.720 -3.527 3.208 196 HE1 MET 20 3HE MET 20 7.494 -2.439 1.054 197 HE2 MET 20 1HE MET 20 8.737 -1.347 1.710 198 HE3 MET 20 2HE MET 20 9.146 -2.476 0.401 199 H ILE 21 H ILE 21 5.508 -0.235 5.913 200 HA ILE 21 HA ILE 21 7.078 1.335 7.754 201 HB ILE 21 HB ILE 21 4.206 1.619 6.786 202 HG12 ILE 21 1HG1 ILE 21 6.602 3.327 5.992 203 HG13 ILE 21 2HG1 ILE 21 6.233 1.840 5.137 204 HG21 ILE 21 1HG2 ILE 21 4.378 2.833 8.890 205 HG22 ILE 21 2HG2 ILE 21 5.916 3.575 8.390 206 HG23 ILE 21 3HG2 ILE 21 4.393 4.005 7.588 207 HD11 ILE 21 3HD1 ILE 21 5.246 3.670 3.923 208 HD12 ILE 21 1HD1 ILE 21 3.942 2.691 4.616 209 HD13 ILE 21 2HD1 ILE 21 4.383 4.246 5.356 210 H VAL 22 H VAL 22 3.890 -0.301 8.251 211 HA VAL 22 HA VAL 22 3.790 0.215 11.084 212 HB VAL 22 HB VAL 22 2.421 -1.996 9.513 213 HG11 VAL 22 1HG1 VAL 22 1.809 -0.850 12.276 214 HG12 VAL 22 2HG1 VAL 22 0.767 -1.971 11.369 215 HG13 VAL 22 3HG1 VAL 22 2.353 -2.507 11.914 216 HG21 VAL 22 3HG2 VAL 22 1.664 0.152 8.647 217 HG22 VAL 22 1HG2 VAL 22 0.440 -0.333 9.816 218 HG23 VAL 22 2HG2 VAL 22 1.652 0.877 10.262 219 H GLY 23 H GLY 23 5.181 -2.527 9.240 220 HA2 GLY 23 1HA GLY 23 5.777 -4.228 11.346 221 HA3 GLY 23 2HA GLY 23 6.745 -4.084 9.876 222 H GLY 24 H GLY 24 7.346 -1.176 10.654 223 HA2 GLY 24 1HA GLY 24 9.510 -1.668 12.677 224 HA3 GLY 24 2HA GLY 24 9.520 -0.418 11.440 225 H LEU 25 H LEU 25 6.644 0.336 12.078 226 HA LEU 25 HA LEU 25 7.197 2.093 14.391 227 HB2 LEU 25 1HB LEU 25 4.834 1.889 12.485 228 HB3 LEU 25 2HB LEU 25 4.952 3.055 13.797 229 HG LEU 25 HG LEU 25 6.794 2.916 11.372 230 HD11 LEU 25 1HD1 LEU 25 4.782 5.028 12.257 231 HD12 LEU 25 2HD1 LEU 25 4.480 3.811 11.005 232 HD13 LEU 25 3HD1 LEU 25 5.747 5.026 10.764 233 HD21 LEU 25 3HD2 LEU 25 7.687 5.093 12.218 234 HD22 LEU 25 1HD2 LEU 25 8.117 3.732 13.251 235 HD23 LEU 25 2HD2 LEU 25 6.808 4.835 13.743 236 H VAL 26 H VAL 26 5.242 -0.798 13.831 237 HA VAL 26 HA VAL 26 3.462 -0.554 16.012 238 HB VAL 26 HB VAL 26 3.318 -2.176 14.134 239 HG11 VAL 26 1HG1 VAL 26 5.168 -3.978 15.748 240 HG12 VAL 26 2HG1 VAL 26 4.368 -4.334 14.207 241 HG13 VAL 26 3HG1 VAL 26 5.653 -3.123 14.267 242 HG21 VAL 26 3HG2 VAL 26 2.986 -3.428 16.872 243 HG22 VAL 26 1HG2 VAL 26 1.836 -2.335 16.062 244 HG23 VAL 26 2HG2 VAL 26 2.194 -3.920 15.361 245 H LYS 27 H LYS 27 6.760 -1.706 15.980 246 HA LYS 27 HA LYS 27 6.792 -2.536 18.796 247 HB2 LYS 27 1HB LYS 27 9.018 -3.250 18.396 248 HB3 LYS 27 2HB LYS 27 8.062 -3.660 16.985 249 HG2 LYS 27 1HG LYS 27 9.825 -2.814 15.851 250 HG3 LYS 27 2HG LYS 27 9.007 -1.277 16.124 251 HD2 LYS 27 1HD LYS 27 10.467 -0.950 18.181 252 HD3 LYS 27 2HD LYS 27 11.256 -2.480 17.806 253 HE2 LYS 27 1HE LYS 27 12.661 -0.713 17.030 254 HE3 LYS 27 2HE LYS 27 12.002 -1.538 15.613 255 HZ1 LYS 27 3HZ LYS 27 10.905 0.985 16.756 256 HZ2 LYS 27 1HZ LYS 27 10.418 0.288 15.355 257 HZ3 LYS 27 2HZ LYS 27 11.920 0.930 15.468 258 H LYS 28 H LYS 28 6.904 0.458 17.395 259 HA LYS 28 HA LYS 28 7.711 2.548 17.850 260 HB2 LYS 28 1HB LYS 28 6.989 1.610 20.646 261 HB3 LYS 28 2HB LYS 28 7.226 3.294 20.190 262 HG2 LYS 28 1HG LYS 28 5.106 1.506 18.912 263 HG3 LYS 28 2HG LYS 28 4.833 2.503 20.337 264 HD2 LYS 28 1HD LYS 28 5.407 4.544 19.073 265 HD3 LYS 28 2HD LYS 28 5.680 3.577 17.608 266 HE2 LYS 28 1HE LYS 28 3.354 2.800 17.635 267 HE3 LYS 28 2HE LYS 28 3.061 3.634 19.168 268 HZ1 LYS 28 3HZ LYS 28 2.249 4.948 17.308 269 HZ2 LYS 28 1HZ LYS 28 3.720 4.977 16.601 270 HZ3 LYS 28 2HZ LYS 28 3.476 5.748 18.024 Start of MODEL 12 1 H1 LYS 1 1H LYS 1 -16.374 6.508 -12.375 2 H2 LYS 1 2H LYS 1 -15.742 7.574 -11.295 3 H3 LYS 1 3H LYS 1 -16.965 8.014 -12.287 4 HA LYS 1 HA LYS 1 -15.528 7.652 -14.234 5 HB2 LYS 1 1HB LYS 1 -14.418 9.785 -14.117 6 HB3 LYS 1 2HB LYS 1 -16.035 9.905 -13.482 7 HG2 LYS 1 1HG LYS 1 -13.920 9.405 -11.417 8 HG3 LYS 1 2HG LYS 1 -13.738 10.905 -12.297 9 HD2 LYS 1 1HD LYS 1 -16.324 10.101 -10.893 10 HD3 LYS 1 2HD LYS 1 -15.047 11.020 -10.114 11 HE2 LYS 1 1HE LYS 1 -16.476 11.936 -12.652 12 HE3 LYS 1 2HE LYS 1 -16.977 12.376 -11.020 13 HZ1 LYS 1 3HZ LYS 1 -14.797 13.411 -10.684 14 HZ2 LYS 1 1HZ LYS 1 -15.563 14.088 -11.953 15 HZ3 LYS 1 2HZ LYS 1 -14.338 13.044 -12.210 16 H LYS 2 H LYS 2 -14.500 5.455 -12.621 17 HA LYS 2 HA LYS 2 -11.661 5.767 -12.097 18 HB2 LYS 2 1HB LYS 2 -13.535 3.391 -12.484 19 HB3 LYS 2 2HB LYS 2 -11.798 3.183 -12.254 20 HG2 LYS 2 1HG LYS 2 -11.839 4.241 -10.096 21 HG3 LYS 2 2HG LYS 2 -13.547 4.689 -10.267 22 HD2 LYS 2 1HD LYS 2 -14.301 2.462 -10.027 23 HD3 LYS 2 2HD LYS 2 -12.738 1.780 -10.471 24 HE2 LYS 2 1HE LYS 2 -13.112 1.421 -8.117 25 HE3 LYS 2 2HE LYS 2 -11.737 2.498 -8.364 26 HZ1 LYS 2 3HZ LYS 2 -13.196 4.376 -7.803 27 HZ2 LYS 2 1HZ LYS 2 -13.193 3.289 -6.589 28 HZ3 LYS 2 2HZ LYS 2 -14.475 3.374 -7.593 29 H LYS 3 H LYS 3 -9.923 5.321 -13.355 30 HA LYS 3 HA LYS 3 -10.161 5.330 -16.278 31 HB2 LYS 3 1HB LYS 3 -7.824 5.253 -14.341 32 HB3 LYS 3 2HB LYS 3 -7.589 4.705 -15.993 33 HG2 LYS 3 1HG LYS 3 -6.978 6.862 -16.206 34 HG3 LYS 3 2HG LYS 3 -8.648 6.930 -16.757 35 HD2 LYS 3 1HD LYS 3 -9.293 7.736 -14.437 36 HD3 LYS 3 2HD LYS 3 -7.574 7.778 -14.022 37 HE2 LYS 3 1HE LYS 3 -8.954 9.372 -16.234 38 HE3 LYS 3 2HE LYS 3 -8.450 10.005 -14.666 39 HZ1 LYS 3 3HZ LYS 3 -6.133 9.510 -15.294 40 HZ2 LYS 3 1HZ LYS 3 -6.818 10.540 -16.355 41 HZ3 LYS 3 2HZ LYS 3 -6.613 8.980 -16.766 42 H ASN 4 H ASN 4 -8.492 2.929 -14.245 43 HA ASN 4 HA ASN 4 -9.785 0.657 -15.588 44 HB2 ASN 4 1HB ASN 4 -7.881 1.523 -17.099 45 HB3 ASN 4 2HB ASN 4 -6.759 1.058 -15.823 46 HD21 ASN 4 2HD2 ASN 4 -7.841 0.024 -18.739 47 HD22 ASN 4 1HD2 ASN 4 -7.747 -1.709 -18.439 48 H TRP 5 H TRP 5 -9.750 -1.157 -14.266 49 HA TRP 5 HA TRP 5 -9.069 -1.031 -11.515 50 HB2 TRP 5 1HB TRP 5 -9.599 -3.338 -11.435 51 HB3 TRP 5 2HB TRP 5 -10.709 -2.591 -12.570 52 HD1 TRP 5 HD1 TRP 5 -10.381 -3.227 -15.185 53 HE1 TRP 5 HE1 TRP 5 -9.249 -5.214 -16.360 54 HE3 TRP 5 HE3 TRP 5 -7.654 -5.072 -11.250 55 HZ2 TRP 5 HZ2 TRP 5 -7.410 -7.321 -15.692 56 HZ3 TRP 5 HZ3 TRP 5 -6.223 -7.084 -11.553 57 HH2 TRP 5 HH2 TRP 5 -6.092 -8.213 -13.761 58 H PHE 6 H PHE 6 -7.114 -2.055 -14.280 59 HA PHE 6 HA PHE 6 -4.977 -3.273 -12.796 60 HB2 PHE 6 1HB PHE 6 -5.622 -3.498 -15.276 61 HB3 PHE 6 2HB PHE 6 -4.781 -1.975 -15.533 62 HD1 PHE 6 HD2 PHE 6 -4.434 -5.520 -14.464 63 HD2 PHE 6 HD1 PHE 6 -2.326 -1.922 -15.570 64 HE1 PHE 6 HE2 PHE 6 -2.318 -6.812 -14.635 65 HE2 PHE 6 HE1 PHE 6 -0.211 -3.216 -15.738 66 HZ PHE 6 HZ PHE 6 -0.204 -5.661 -15.271 67 H ASP 7 H ASP 7 -5.750 0.105 -13.329 68 HA ASP 7 HA ASP 7 -3.015 1.042 -12.706 69 HB2 ASP 7 1HB ASP 7 -4.776 2.135 -14.313 70 HB3 ASP 7 2HB ASP 7 -5.478 2.789 -12.835 71 H ILE 8 H ILE 8 -5.979 0.348 -11.014 72 HA ILE 8 HA ILE 8 -5.627 1.890 -8.636 73 HB ILE 8 HB ILE 8 -7.017 -0.785 -8.956 74 HG12 ILE 8 1HG1 ILE 8 -8.004 0.758 -10.524 75 HG13 ILE 8 2HG1 ILE 8 -9.105 0.509 -9.190 76 HG21 ILE 8 1HG2 ILE 8 -6.743 -0.400 -6.613 77 HG22 ILE 8 2HG2 ILE 8 -7.248 1.296 -6.756 78 HG23 ILE 8 3HG2 ILE 8 -8.412 -0.023 -7.016 79 HD11 ILE 8 3HD1 ILE 8 -7.373 2.973 -9.679 80 HD12 ILE 8 1HD1 ILE 8 -9.131 2.842 -9.833 81 HD13 ILE 8 2HD1 ILE 8 -8.382 2.733 -8.232 82 H THR 9 H THR 9 -3.968 -1.008 -9.684 83 HA THR 9 HA THR 9 -3.105 -2.073 -7.213 84 HB THR 9 HB THR 9 -1.244 -3.076 -8.391 85 HG1 THR 9 HG1 THR 9 -0.902 -2.540 -10.576 86 HG21 THR 9 3HG2 THR 9 -3.512 -4.052 -8.759 87 HG22 THR 9 1HG2 THR 9 -2.421 -4.296 -10.135 88 HG23 THR 9 2HG2 THR 9 -3.686 -3.058 -10.223 89 H ASN 10 H ASN 10 -1.825 0.744 -8.937 90 HA ASN 10 HA ASN 10 0.559 1.126 -7.389 91 HB2 ASN 10 1HB ASN 10 -1.274 3.117 -8.804 92 HB3 ASN 10 2HB ASN 10 0.281 3.545 -8.089 93 HD21 ASN 10 2HD2 ASN 10 -0.563 3.711 -10.935 94 HD22 ASN 10 1HD2 ASN 10 0.659 2.758 -11.767 95 H TRP 11 H TRP 11 -2.784 2.189 -6.770 96 HA TRP 11 HA TRP 11 -2.212 3.664 -4.339 97 HB2 TRP 11 1HB TRP 11 -4.812 2.442 -5.345 98 HB3 TRP 11 2HB TRP 11 -4.649 3.560 -4.007 99 HD1 TRP 11 HD1 TRP 11 -4.423 3.447 -7.829 100 HE1 TRP 11 HE1 TRP 11 -4.694 5.820 -8.777 101 HE3 TRP 11 HE3 TRP 11 -4.285 6.090 -3.443 102 HZ2 TRP 11 HZ2 TRP 11 -4.833 8.509 -7.769 103 HZ3 TRP 11 HZ3 TRP 11 -4.475 8.573 -3.472 104 HH2 TRP 11 HH2 TRP 11 -4.750 9.788 -5.620 105 H LEU 12 H LEU 12 -3.331 0.337 -5.009 106 HA LEU 12 HA LEU 12 -3.529 -0.556 -2.294 107 HB2 LEU 12 1HB LEU 12 -2.752 -2.182 -4.745 108 HB3 LEU 12 2HB LEU 12 -3.302 -2.830 -3.207 109 HG LEU 12 HG LEU 12 -4.973 -1.122 -5.100 110 HD11 LEU 12 1HD1 LEU 12 -5.146 -4.083 -4.424 111 HD12 LEU 12 2HD1 LEU 12 -4.510 -3.409 -5.938 112 HD13 LEU 12 3HD1 LEU 12 -6.215 -3.181 -5.523 113 HD21 LEU 12 3HD2 LEU 12 -6.882 -1.778 -3.663 114 HD22 LEU 12 1HD2 LEU 12 -5.723 -0.771 -2.794 115 HD23 LEU 12 2HD2 LEU 12 -5.753 -2.530 -2.513 116 H TRP 13 H TRP 13 -0.722 -0.608 -4.506 117 HA TRP 13 HA TRP 13 1.131 -1.822 -2.741 118 HB2 TRP 13 1HB TRP 13 1.205 -1.104 -5.327 119 HB3 TRP 13 2HB TRP 13 2.092 0.259 -4.677 120 HD1 TRP 13 HD1 TRP 13 2.131 -3.565 -4.901 121 HE1 TRP 13 HE1 TRP 13 4.557 -4.431 -4.812 122 HE3 TRP 13 HE3 TRP 13 4.546 0.850 -3.917 123 HZ2 TRP 13 HZ2 TRP 13 7.181 -3.358 -4.370 124 HZ3 TRP 13 HZ3 TRP 13 7.027 0.898 -3.698 125 HH2 TRP 13 HH2 TRP 13 8.348 -1.192 -3.916 126 H TYR 14 H TYR 14 0.151 1.578 -2.964 127 HA TYR 14 HA TYR 14 2.118 2.746 -1.288 128 HB2 TYR 14 1HB TYR 14 0.183 3.790 -2.727 129 HB3 TYR 14 2HB TYR 14 -0.769 3.653 -1.261 130 HD1 TYR 14 HD1 TYR 14 0.330 4.717 0.940 131 HD2 TYR 14 HD2 TYR 14 1.461 5.698 -3.114 132 HE1 TYR 14 HE1 TYR 14 1.327 6.860 1.726 133 HE2 TYR 14 HE2 TYR 14 2.429 7.844 -2.323 134 HH TYR 14 HH TYR 14 2.858 9.188 -0.524 135 H ILE 15 H ILE 15 -1.007 1.236 -0.429 136 HA ILE 15 HA ILE 15 -0.667 1.545 2.447 137 HB ILE 15 HB ILE 15 -2.482 -0.328 0.897 138 HG12 ILE 15 1HG1 ILE 15 -3.682 2.056 2.237 139 HG13 ILE 15 2HG1 ILE 15 -2.621 2.487 0.915 140 HG21 ILE 15 1HG2 ILE 15 -3.858 -0.318 2.997 141 HG22 ILE 15 2HG2 ILE 15 -2.283 -1.085 3.214 142 HG23 ILE 15 3HG2 ILE 15 -2.552 0.565 3.815 143 HD11 ILE 15 3HD1 ILE 15 -4.895 2.224 0.097 144 HD12 ILE 15 1HD1 ILE 15 -3.855 0.974 -0.608 145 HD13 ILE 15 2HD1 ILE 15 -4.964 0.556 0.714 146 H LYS 16 H LYS 16 0.109 -1.071 0.132 147 HA LYS 16 HA LYS 16 0.918 -3.059 1.987 148 HB2 LYS 16 1HB LYS 16 0.763 -3.159 -0.626 149 HB3 LYS 16 2HB LYS 16 2.459 -2.653 -0.566 150 HG2 LYS 16 1HG LYS 16 2.533 -4.652 1.295 151 HG3 LYS 16 2HG LYS 16 1.142 -5.205 0.359 152 HD2 LYS 16 1HD LYS 16 2.549 -5.155 -1.699 153 HD3 LYS 16 2HD LYS 16 3.918 -4.571 -0.720 154 HE2 LYS 16 1HE LYS 16 3.759 -6.629 0.694 155 HE3 LYS 16 2HE LYS 16 2.443 -7.219 -0.324 156 HZ1 LYS 16 3HZ LYS 16 4.585 -8.174 -0.971 157 HZ2 LYS 16 1HZ LYS 16 5.213 -6.701 -1.283 158 HZ3 LYS 16 2HZ LYS 16 3.989 -7.282 -2.197 159 H LEU 17 H LEU 17 2.839 -0.346 0.747 160 HA LEU 17 HA LEU 17 5.301 -0.914 2.084 161 HB2 LEU 17 1HB LEU 17 4.005 1.739 1.356 162 HB3 LEU 17 2HB LEU 17 5.640 1.610 1.973 163 HG LEU 17 HG LEU 17 4.769 0.158 -0.561 164 HD11 LEU 17 1HD1 LEU 17 6.036 2.916 -0.276 165 HD12 LEU 17 2HD1 LEU 17 4.389 2.573 -0.848 166 HD13 LEU 17 3HD1 LEU 17 5.779 2.036 -1.800 167 HD21 LEU 17 3HD2 LEU 17 7.184 0.177 -1.040 168 HD22 LEU 17 1HD2 LEU 17 6.867 -0.647 0.490 169 HD23 LEU 17 2HD2 LEU 17 7.501 1.015 0.494 170 H PHE 18 H PHE 18 2.436 0.849 3.315 171 HA PHE 18 HA PHE 18 3.490 1.634 5.832 172 HB2 PHE 18 1HB PHE 18 1.329 2.380 4.773 173 HB3 PHE 18 2HB PHE 18 0.619 0.840 5.235 174 HD1 PHE 18 HD1 PHE 18 0.185 0.281 7.617 175 HD2 PHE 18 HD2 PHE 18 1.773 4.115 6.429 176 HE1 PHE 18 HE1 PHE 18 -0.406 1.217 9.840 177 HE2 PHE 18 HE2 PHE 18 1.169 5.050 8.649 178 HZ PHE 18 HZ PHE 18 0.074 3.606 10.354 179 H ILE 19 H ILE 19 1.914 -1.434 4.901 180 HA ILE 19 HA ILE 19 1.936 -2.680 7.469 181 HB ILE 19 HB ILE 19 2.232 -4.079 4.783 182 HG12 ILE 19 1HG1 ILE 19 -0.319 -3.412 6.332 183 HG13 ILE 19 2HG1 ILE 19 0.222 -2.567 4.886 184 HG21 ILE 19 1HG2 ILE 19 1.209 -5.082 7.481 185 HG22 ILE 19 2HG2 ILE 19 1.269 -6.026 5.977 186 HG23 ILE 19 3HG2 ILE 19 2.762 -5.524 6.740 187 HD11 ILE 19 3HD1 ILE 19 0.105 -4.727 3.605 188 HD12 ILE 19 1HD1 ILE 19 -0.684 -5.453 5.026 189 HD13 ILE 19 2HD1 ILE 19 -1.448 -4.097 4.190 190 H MET 20 H MET 20 4.466 -2.665 4.917 191 HA MET 20 HA MET 20 6.349 -4.287 6.374 192 HB2 MET 20 1HB MET 20 6.975 -2.156 4.285 193 HB3 MET 20 2HB MET 20 8.049 -3.428 4.872 194 HG2 MET 20 1HG MET 20 6.257 -5.096 4.072 195 HG3 MET 20 2HG MET 20 5.553 -3.732 3.193 196 HE1 MET 20 3HE MET 20 5.822 -4.973 0.797 197 HE2 MET 20 1HE MET 20 7.270 -5.943 0.433 198 HE3 MET 20 2HE MET 20 6.263 -6.347 1.842 199 H ILE 21 H ILE 21 5.953 -0.736 6.228 200 HA ILE 21 HA ILE 21 8.167 -0.039 7.897 201 HB ILE 21 HB ILE 21 5.542 1.396 7.347 202 HG12 ILE 21 1HG1 ILE 21 8.329 2.030 6.272 203 HG13 ILE 21 2HG1 ILE 21 7.242 0.942 5.431 204 HG21 ILE 21 1HG2 ILE 21 6.710 3.452 8.190 205 HG22 ILE 21 2HG2 ILE 21 6.442 2.264 9.451 206 HG23 ILE 21 3HG2 ILE 21 8.061 2.433 8.729 207 HD11 ILE 21 3HD1 ILE 21 5.519 2.761 5.308 208 HD12 ILE 21 1HD1 ILE 21 6.720 3.884 5.986 209 HD13 ILE 21 2HD1 ILE 21 7.019 3.103 4.428 210 H VAL 22 H VAL 22 4.692 -0.399 8.826 211 HA VAL 22 HA VAL 22 5.153 -0.171 11.663 212 HB VAL 22 HB VAL 22 2.905 -1.579 10.188 213 HG11 VAL 22 1HG1 VAL 22 2.879 -2.331 12.517 214 HG12 VAL 22 2HG1 VAL 22 3.079 -0.661 13.095 215 HG13 VAL 22 3HG1 VAL 22 1.584 -1.155 12.269 216 HG21 VAL 22 3HG2 VAL 22 3.051 0.866 9.669 217 HG22 VAL 22 1HG2 VAL 22 1.680 0.555 10.735 218 HG23 VAL 22 2HG2 VAL 22 3.174 1.235 11.399 219 H GLY 23 H GLY 23 5.219 -3.018 9.495 220 HA2 GLY 23 1HA GLY 23 5.430 -5.048 11.366 221 HA3 GLY 23 2HA GLY 23 6.241 -5.062 9.792 222 H GLY 24 H GLY 24 7.861 -2.645 10.590 223 HA2 GLY 24 1HA GLY 24 9.949 -3.949 12.295 224 HA3 GLY 24 2HA GLY 24 10.208 -2.640 11.146 225 H LEU 25 H LEU 25 7.931 -0.997 12.090 226 HA LEU 25 HA LEU 25 9.252 0.236 14.406 227 HB2 LEU 25 1HB LEU 25 6.839 1.083 12.772 228 HB3 LEU 25 2HB LEU 25 7.537 2.017 14.088 229 HG LEU 25 HG LEU 25 8.882 1.367 11.437 230 HD11 LEU 25 1HD1 LEU 25 7.141 3.173 11.482 231 HD12 LEU 25 2HD1 LEU 25 8.765 3.773 11.101 232 HD13 LEU 25 3HD1 LEU 25 8.087 4.011 12.727 233 HD21 LEU 25 3HD2 LEU 25 10.003 2.808 13.877 234 HD22 LEU 25 1HD2 LEU 25 10.704 2.892 12.244 235 HD23 LEU 25 2HD2 LEU 25 10.651 1.347 13.089 236 H VAL 26 H VAL 26 6.480 -1.865 14.124 237 HA VAL 26 HA VAL 26 5.060 -1.009 16.430 238 HB VAL 26 HB VAL 26 4.220 -2.527 14.661 239 HG11 VAL 26 1HG1 VAL 26 6.133 -4.146 14.576 240 HG12 VAL 26 2HG1 VAL 26 5.624 -4.779 16.159 241 HG13 VAL 26 3HG1 VAL 26 4.553 -4.915 14.753 242 HG21 VAL 26 3HG2 VAL 26 2.736 -3.799 16.048 243 HG22 VAL 26 1HG2 VAL 26 3.801 -3.607 17.457 244 HG23 VAL 26 2HG2 VAL 26 2.987 -2.192 16.744 245 H LYS 27 H LYS 27 7.878 -3.042 16.205 246 HA LYS 27 HA LYS 27 7.849 -3.826 19.057 247 HB2 LYS 27 1HB LYS 27 9.643 -5.271 18.517 248 HB3 LYS 27 2HB LYS 27 8.512 -5.346 17.156 249 HG2 LYS 27 1HG LYS 27 10.010 -3.530 16.067 250 HG3 LYS 27 2HG LYS 27 11.198 -3.914 17.308 251 HD2 LYS 27 1HD LYS 27 10.106 -5.769 15.159 252 HD3 LYS 27 2HD LYS 27 11.688 -4.998 15.234 253 HE2 LYS 27 1HE LYS 27 12.338 -7.017 16.035 254 HE3 LYS 27 2HE LYS 27 11.876 -6.278 17.567 255 HZ1 LYS 27 3HZ LYS 27 10.925 -8.499 17.320 256 HZ2 LYS 27 1HZ LYS 27 10.181 -8.100 15.927 257 HZ3 LYS 27 2HZ LYS 27 9.698 -7.426 17.337 258 H LYS 28 H LYS 28 9.434 -1.453 17.115 259 HA LYS 28 HA LYS 28 11.771 -0.849 18.582 260 HB2 LYS 28 1HB LYS 28 10.025 0.843 16.765 261 HB3 LYS 28 2HB LYS 28 11.513 1.466 17.449 262 HG2 LYS 28 1HG LYS 28 11.734 -1.209 16.107 263 HG3 LYS 28 2HG LYS 28 11.338 0.133 15.056 264 HD2 LYS 28 1HD LYS 28 13.612 0.691 16.900 265 HD3 LYS 28 2HD LYS 28 13.877 -0.633 15.758 266 HE2 LYS 28 1HE LYS 28 13.172 0.831 13.877 267 HE3 LYS 28 2HE LYS 28 12.961 2.179 14.999 268 HZ1 LYS 28 3HZ LYS 28 15.532 0.772 14.479 269 HZ2 LYS 28 1HZ LYS 28 15.347 2.037 15.499 270 HZ3 LYS 28 2HZ LYS 28 15.131 2.240 13.894 Start of MODEL 13 1 H1 LYS 1 1H LYS 1 -15.891 4.256 -9.879 2 H2 LYS 1 2H LYS 1 -16.545 4.599 -11.338 3 H3 LYS 1 3H LYS 1 -15.138 3.777 -11.252 4 HA LYS 1 HA LYS 1 -15.612 6.619 -10.667 5 HB2 LYS 1 1HB LYS 1 -13.192 4.939 -9.880 6 HB3 LYS 1 2HB LYS 1 -13.136 6.695 -9.975 7 HG2 LYS 1 1HG LYS 1 -15.145 5.221 -8.228 8 HG3 LYS 1 2HG LYS 1 -13.550 5.708 -7.667 9 HD2 LYS 1 1HD LYS 1 -14.039 7.979 -7.675 10 HD3 LYS 1 2HD LYS 1 -15.273 7.842 -8.918 11 HE2 LYS 1 1HE LYS 1 -16.306 8.400 -6.806 12 HE3 LYS 1 2HE LYS 1 -16.852 6.821 -7.367 13 HZ1 LYS 1 3HZ LYS 1 -14.759 7.236 -5.295 14 HZ2 LYS 1 1HZ LYS 1 -15.344 5.784 -5.773 15 HZ3 LYS 1 2HZ LYS 1 -16.309 6.834 -4.988 16 H LYS 2 H LYS 2 -14.002 7.989 -11.856 17 HA LYS 2 HA LYS 2 -13.951 7.427 -14.687 18 HB2 LYS 2 1HB LYS 2 -12.463 9.486 -13.001 19 HB3 LYS 2 2HB LYS 2 -12.490 9.497 -14.761 20 HG2 LYS 2 1HG LYS 2 -15.106 9.501 -13.217 21 HG3 LYS 2 2HG LYS 2 -14.181 10.986 -13.381 22 HD2 LYS 2 1HD LYS 2 -14.476 11.134 -15.673 23 HD3 LYS 2 2HD LYS 2 -14.799 9.401 -15.883 24 HE2 LYS 2 1HE LYS 2 -16.974 9.549 -14.954 25 HE3 LYS 2 2HE LYS 2 -16.675 11.141 -14.250 26 HZ1 LYS 2 3HZ LYS 2 -16.807 10.636 -17.176 27 HZ2 LYS 2 1HZ LYS 2 -16.673 12.096 -16.452 28 HZ3 LYS 2 2HZ LYS 2 -18.042 11.228 -16.288 29 H LYS 3 H LYS 3 -11.513 7.108 -12.196 30 HA LYS 3 HA LYS 3 -9.250 6.316 -13.822 31 HB2 LYS 3 1HB LYS 3 -10.001 5.914 -10.887 32 HB3 LYS 3 2HB LYS 3 -8.476 5.346 -11.546 33 HG2 LYS 3 1HG LYS 3 -9.031 8.173 -12.255 34 HG3 LYS 3 2HG LYS 3 -8.989 7.906 -10.514 35 HD2 LYS 3 1HD LYS 3 -6.761 7.181 -10.518 36 HD3 LYS 3 2HD LYS 3 -6.770 6.778 -12.249 37 HE2 LYS 3 1HE LYS 3 -6.846 9.095 -12.892 38 HE3 LYS 3 2HE LYS 3 -7.065 9.627 -11.222 39 HZ1 LYS 3 3HZ LYS 3 -4.737 9.817 -12.028 40 HZ2 LYS 3 1HZ LYS 3 -4.642 8.189 -12.184 41 HZ3 LYS 3 2HZ LYS 3 -4.847 8.864 -10.710 42 H ASN 4 H ASN 4 -8.315 4.256 -14.050 43 HA ASN 4 HA ASN 4 -10.255 1.965 -14.106 44 HB2 ASN 4 1HB ASN 4 -7.783 2.574 -15.788 45 HB3 ASN 4 2HB ASN 4 -8.632 1.029 -15.811 46 HD21 ASN 4 2HD2 ASN 4 -8.375 3.734 -17.639 47 HD22 ASN 4 1HD2 ASN 4 -10.015 3.747 -18.272 48 H TRP 5 H TRP 5 -9.694 -0.004 -13.279 49 HA TRP 5 HA TRP 5 -8.050 -0.209 -11.017 50 HB2 TRP 5 1HB TRP 5 -8.481 -2.533 -11.074 51 HB3 TRP 5 2HB TRP 5 -9.927 -1.724 -11.652 52 HD1 TRP 5 HD1 TRP 5 -10.563 -2.074 -14.244 53 HE1 TRP 5 HE1 TRP 5 -9.834 -3.800 -16.010 54 HE3 TRP 5 HE3 TRP 5 -6.470 -4.021 -11.849 55 HZ2 TRP 5 HZ2 TRP 5 -7.747 -5.755 -16.346 56 HZ3 TRP 5 HZ3 TRP 5 -5.122 -5.814 -12.923 57 HH2 TRP 5 HH2 TRP 5 -5.747 -6.683 -15.165 58 H PHE 6 H PHE 6 -7.178 -0.608 -14.358 59 HA PHE 6 HA PHE 6 -4.675 -1.877 -14.245 60 HB2 PHE 6 1HB PHE 6 -6.263 -0.378 -16.154 61 HB3 PHE 6 2HB PHE 6 -4.628 0.218 -16.230 62 HD1 PHE 6 HD2 PHE 6 -2.755 -1.254 -16.909 63 HD2 PHE 6 HD1 PHE 6 -6.828 -2.671 -16.826 64 HE1 PHE 6 HE2 PHE 6 -2.111 -3.194 -18.325 65 HE2 PHE 6 HE1 PHE 6 -6.182 -4.608 -18.242 66 HZ PHE 6 HZ PHE 6 -3.824 -4.872 -18.994 67 H ASP 7 H ASP 7 -5.489 1.373 -13.257 68 HA ASP 7 HA ASP 7 -2.624 2.065 -12.775 69 HB2 ASP 7 1HB ASP 7 -4.096 3.604 -14.142 70 HB3 ASP 7 2HB ASP 7 -5.056 3.878 -12.689 71 H ILE 8 H ILE 8 -5.815 1.827 -11.145 72 HA ILE 8 HA ILE 8 -4.942 2.506 -8.517 73 HB ILE 8 HB ILE 8 -7.164 0.581 -9.238 74 HG12 ILE 8 1HG1 ILE 8 -7.617 2.666 -10.381 75 HG13 ILE 8 2HG1 ILE 8 -8.701 2.502 -9.023 76 HG21 ILE 8 1HG2 ILE 8 -8.163 1.354 -7.055 77 HG22 ILE 8 2HG2 ILE 8 -6.720 0.358 -6.898 78 HG23 ILE 8 3HG2 ILE 8 -6.601 2.114 -6.677 79 HD11 ILE 8 3HD1 ILE 8 -6.249 4.312 -9.180 80 HD12 ILE 8 1HD1 ILE 8 -7.951 4.799 -9.190 81 HD13 ILE 8 2HD1 ILE 8 -7.251 4.108 -7.721 82 H THR 9 H THR 9 -4.547 -0.552 -10.245 83 HA THR 9 HA THR 9 -3.813 -2.240 -8.113 84 HB THR 9 HB THR 9 -4.121 -2.941 -10.455 85 HG1 THR 9 HG1 THR 9 -2.466 -4.491 -10.385 86 HG21 THR 9 3HG2 THR 9 -2.686 -1.174 -11.537 87 HG22 THR 9 1HG2 THR 9 -2.342 -2.824 -12.078 88 HG23 THR 9 2HG2 THR 9 -1.251 -2.023 -10.928 89 H ASN 10 H ASN 10 -1.964 0.449 -9.458 90 HA ASN 10 HA ASN 10 0.579 -0.217 -8.303 91 HB2 ASN 10 1HB ASN 10 -0.607 2.487 -9.056 92 HB3 ASN 10 2HB ASN 10 1.063 2.217 -8.583 93 HD21 ASN 10 2HD2 ASN 10 0.637 3.414 -10.990 94 HD22 ASN 10 1HD2 ASN 10 1.062 2.270 -12.254 95 H TRP 11 H TRP 11 -2.331 1.200 -6.928 96 HA TRP 11 HA TRP 11 -1.025 2.085 -4.444 97 HB2 TRP 11 1HB TRP 11 -3.953 1.913 -5.233 98 HB3 TRP 11 2HB TRP 11 -3.343 2.535 -3.714 99 HD1 TRP 11 HD1 TRP 11 -2.988 3.337 -7.493 100 HE1 TRP 11 HE1 TRP 11 -2.634 5.867 -7.776 101 HE3 TRP 11 HE3 TRP 11 -2.869 4.707 -2.552 102 HZ2 TRP 11 HZ2 TRP 11 -2.339 8.178 -6.092 103 HZ3 TRP 11 HZ3 TRP 11 -2.556 7.093 -1.923 104 HH2 TRP 11 HH2 TRP 11 -2.287 8.831 -3.677 105 H LEU 12 H LEU 12 -2.909 -0.656 -5.617 106 HA LEU 12 HA LEU 12 -3.539 -1.966 -3.236 107 HB2 LEU 12 1HB LEU 12 -3.975 -2.393 -5.849 108 HB3 LEU 12 2HB LEU 12 -2.735 -3.620 -5.622 109 HG LEU 12 HG LEU 12 -5.280 -3.383 -3.944 110 HD11 LEU 12 1HD1 LEU 12 -6.326 -3.972 -5.850 111 HD12 LEU 12 2HD1 LEU 12 -5.672 -5.587 -5.551 112 HD13 LEU 12 3HD1 LEU 12 -4.841 -4.492 -6.665 113 HD21 LEU 12 3HD2 LEU 12 -4.865 -5.743 -3.381 114 HD22 LEU 12 1HD2 LEU 12 -3.552 -4.707 -2.828 115 HD23 LEU 12 2HD2 LEU 12 -3.336 -5.701 -4.293 116 H TRP 13 H TRP 13 -0.487 -2.378 -5.120 117 HA TRP 13 HA TRP 13 0.721 -4.002 -2.992 118 HB2 TRP 13 1HB TRP 13 2.641 -4.146 -4.318 119 HB3 TRP 13 2HB TRP 13 1.280 -4.273 -5.414 120 HD1 TRP 13 HD1 TRP 13 1.137 -2.531 -7.340 121 HE1 TRP 13 HE1 TRP 13 2.655 -0.612 -8.179 122 HE3 TRP 13 HE3 TRP 13 4.496 -2.334 -3.469 123 HZ2 TRP 13 HZ2 TRP 13 4.794 0.999 -7.164 124 HZ3 TRP 13 HZ3 TRP 13 6.318 -0.643 -3.487 125 HH2 TRP 13 HH2 TRP 13 6.427 1.076 -5.269 126 H TYR 14 H TYR 14 0.666 -0.553 -3.744 127 HA TYR 14 HA TYR 14 2.924 0.224 -2.151 128 HB2 TYR 14 1HB TYR 14 1.860 1.592 -3.922 129 HB3 TYR 14 2HB TYR 14 0.455 1.825 -2.881 130 HD1 TYR 14 HD2 TYR 14 4.137 2.406 -3.138 131 HD2 TYR 14 HD1 TYR 14 0.413 3.633 -1.332 132 HE1 TYR 14 HE2 TYR 14 5.260 4.419 -2.195 133 HE2 TYR 14 HE1 TYR 14 1.539 5.657 -0.400 134 HH TYR 14 HH TYR 14 5.011 6.330 -0.967 135 H ILE 15 H ILE 15 -0.544 -0.132 -1.342 136 HA ILE 15 HA ILE 15 -0.386 0.792 1.363 137 HB ILE 15 HB ILE 15 -2.264 -1.260 0.149 138 HG12 ILE 15 1HG1 ILE 15 -3.038 1.619 0.739 139 HG13 ILE 15 2HG1 ILE 15 -2.134 1.302 -0.720 140 HG21 ILE 15 1HG2 ILE 15 -2.475 0.350 2.742 141 HG22 ILE 15 2HG2 ILE 15 -3.807 -0.583 2.031 142 HG23 ILE 15 3HG2 ILE 15 -2.362 -1.417 2.600 143 HD11 ILE 15 3HD1 ILE 15 -4.815 0.058 -0.004 144 HD12 ILE 15 1HD1 ILE 15 -4.473 1.253 -1.274 145 HD13 ILE 15 2HD1 ILE 15 -3.838 -0.396 -1.419 146 H LYS 16 H LYS 16 0.439 -2.388 -0.020 147 HA LYS 16 HA LYS 16 0.810 -3.756 2.505 148 HB2 LYS 16 1HB LYS 16 1.747 -4.293 -0.318 149 HB3 LYS 16 2HB LYS 16 2.518 -5.132 1.025 150 HG2 LYS 16 1HG LYS 16 0.276 -5.855 1.842 151 HG3 LYS 16 2HG LYS 16 -0.467 -5.164 0.397 152 HD2 LYS 16 1HD LYS 16 1.776 -7.223 0.223 153 HD3 LYS 16 2HD LYS 16 0.106 -7.709 0.515 154 HE2 LYS 16 1HE LYS 16 -0.602 -6.532 -1.566 155 HE3 LYS 16 2HE LYS 16 1.091 -6.145 -1.908 156 HZ1 LYS 16 3HZ LYS 16 0.353 -8.179 -3.058 157 HZ2 LYS 16 1HZ LYS 16 0.002 -8.902 -1.641 158 HZ3 LYS 16 2HZ LYS 16 1.550 -8.536 -2.008 159 H LEU 17 H LEU 17 2.830 -1.380 0.920 160 HA LEU 17 HA LEU 17 5.271 -1.966 2.355 161 HB2 LEU 17 1HB LEU 17 4.343 0.772 1.439 162 HB3 LEU 17 2HB LEU 17 5.985 0.267 1.794 163 HG LEU 17 HG LEU 17 4.301 -0.719 -0.548 164 HD11 LEU 17 1HD1 LEU 17 5.139 1.695 -0.536 165 HD12 LEU 17 2HD1 LEU 17 5.650 0.705 -1.896 166 HD13 LEU 17 3HD1 LEU 17 6.788 1.032 -0.570 167 HD21 LEU 17 3HD2 LEU 17 7.207 -1.294 0.170 168 HD22 LEU 17 1HD2 LEU 17 6.415 -1.724 -1.362 169 HD23 LEU 17 2HD2 LEU 17 5.872 -2.470 0.143 170 H PHE 18 H PHE 18 2.397 -0.016 3.201 171 HA PHE 18 HA PHE 18 3.389 1.190 5.593 172 HB2 PHE 18 1HB PHE 18 1.276 1.847 4.546 173 HB3 PHE 18 2HB PHE 18 0.582 0.268 4.878 174 HD1 PHE 18 HD1 PHE 18 1.561 3.500 6.385 175 HD2 PHE 18 HD2 PHE 18 -0.171 -0.388 7.103 176 HE1 PHE 18 HE1 PHE 18 0.680 4.288 8.571 177 HE2 PHE 18 HE2 PHE 18 -1.036 0.402 9.291 178 HZ PHE 18 HZ PHE 18 -0.618 2.742 10.025 179 H ILE 19 H ILE 19 1.873 -1.998 5.074 180 HA ILE 19 HA ILE 19 1.923 -2.887 7.790 181 HB ILE 19 HB ILE 19 2.170 -4.627 5.306 182 HG12 ILE 19 1HG1 ILE 19 -0.383 -3.769 6.750 183 HG13 ILE 19 2HG1 ILE 19 0.174 -3.067 5.232 184 HG21 ILE 19 1HG2 ILE 19 1.231 -5.224 8.152 185 HG22 ILE 19 2HG2 ILE 19 1.129 -6.364 6.795 186 HG23 ILE 19 3HG2 ILE 19 2.699 -5.846 7.371 187 HD11 ILE 19 3HD1 ILE 19 -0.737 -5.925 5.646 188 HD12 ILE 19 1HD1 ILE 19 -1.466 -4.660 4.647 189 HD13 ILE 19 2HD1 ILE 19 0.100 -5.353 4.183 190 H MET 20 H MET 20 4.414 -3.124 5.223 191 HA MET 20 HA MET 20 6.315 -4.593 6.834 192 HB2 MET 20 1HB MET 20 6.989 -2.746 4.508 193 HB3 MET 20 2HB MET 20 7.960 -4.048 5.193 194 HG2 MET 20 1HG MET 20 5.726 -5.462 4.538 195 HG3 MET 20 2HG MET 20 5.628 -4.158 3.350 196 HE1 MET 20 3HE MET 20 6.047 -7.366 2.264 197 HE2 MET 20 1HE MET 20 5.529 -5.803 1.589 198 HE3 MET 20 2HE MET 20 6.916 -6.659 0.884 199 H ILE 21 H ILE 21 6.027 -1.102 6.118 200 HA ILE 21 HA ILE 21 8.289 -0.215 7.634 201 HB ILE 21 HB ILE 21 5.735 1.208 6.773 202 HG12 ILE 21 1HG1 ILE 21 8.512 1.626 5.610 203 HG13 ILE 21 2HG1 ILE 21 7.500 0.315 5.021 204 HG21 ILE 21 1HG2 ILE 21 7.137 3.334 7.159 205 HG22 ILE 21 2HG2 ILE 21 6.572 2.507 8.600 206 HG23 ILE 21 3HG2 ILE 21 8.264 2.313 8.066 207 HD11 ILE 21 3HD1 ILE 21 7.287 2.351 3.628 208 HD12 ILE 21 1HD1 ILE 21 5.739 1.860 4.339 209 HD13 ILE 21 2HD1 ILE 21 6.626 3.239 5.010 210 H VAL 22 H VAL 22 4.792 -0.158 8.530 211 HA VAL 22 HA VAL 22 5.268 0.622 11.277 212 HB VAL 22 HB VAL 22 2.850 -0.729 10.047 213 HG11 VAL 22 1HG1 VAL 22 3.157 0.747 12.690 214 HG12 VAL 22 2HG1 VAL 22 1.605 0.290 11.950 215 HG13 VAL 22 3HG1 VAL 22 2.730 -0.966 12.451 216 HG21 VAL 22 3HG2 VAL 22 3.917 2.007 9.820 217 HG22 VAL 22 1HG2 VAL 22 2.506 1.281 9.043 218 HG23 VAL 22 2HG2 VAL 22 2.353 2.039 10.628 219 H GLY 23 H GLY 23 5.013 -2.583 9.691 220 HA2 GLY 23 1HA GLY 23 4.840 -4.198 11.932 221 HA3 GLY 23 2HA GLY 23 5.674 -4.647 10.441 222 H GLY 24 H GLY 24 7.649 -2.381 10.896 223 HA2 GLY 24 1HA GLY 24 9.404 -3.656 12.978 224 HA3 GLY 24 2HA GLY 24 9.963 -2.733 11.589 225 H LEU 25 H LEU 25 7.785 -0.627 12.190 226 HA LEU 25 HA LEU 25 9.319 0.907 14.212 227 HB2 LEU 25 1HB LEU 25 7.049 1.670 12.345 228 HB3 LEU 25 2HB LEU 25 7.800 2.778 13.486 229 HG LEU 25 HG LEU 25 9.268 1.418 11.183 230 HD11 LEU 25 1HD1 LEU 25 8.396 4.319 11.535 231 HD12 LEU 25 2HD1 LEU 25 7.555 3.130 10.529 232 HD13 LEU 25 3HD1 LEU 25 9.215 3.604 10.126 233 HD21 LEU 25 3HD2 LEU 25 10.827 1.951 13.009 234 HD22 LEU 25 1HD2 LEU 25 10.171 3.603 13.108 235 HD23 LEU 25 2HD2 LEU 25 11.051 3.065 11.660 236 H VAL 26 H VAL 26 6.183 -0.716 14.057 237 HA VAL 26 HA VAL 26 4.883 0.637 16.171 238 HB VAL 26 HB VAL 26 3.848 -0.913 14.556 239 HG11 VAL 26 1HG1 VAL 26 4.787 -3.197 16.345 240 HG12 VAL 26 2HG1 VAL 26 3.763 -3.302 14.902 241 HG13 VAL 26 3HG1 VAL 26 5.462 -2.839 14.748 242 HG21 VAL 26 3HG2 VAL 26 2.812 -0.186 16.819 243 HG22 VAL 26 1HG2 VAL 26 2.051 -1.458 15.853 244 HG23 VAL 26 2HG2 VAL 26 3.027 -1.890 17.273 245 H LYS 27 H LYS 27 7.312 -1.838 16.317 246 HA LYS 27 HA LYS 27 7.062 -2.316 19.204 247 HB2 LYS 27 1HB LYS 27 8.643 -4.020 18.904 248 HB3 LYS 27 2HB LYS 27 7.633 -4.045 17.478 249 HG2 LYS 27 1HG LYS 27 9.581 -4.191 16.356 250 HG3 LYS 27 2HG LYS 27 9.658 -2.438 16.551 251 HD2 LYS 27 1HD LYS 27 11.066 -2.760 18.607 252 HD3 LYS 27 2HD LYS 27 10.880 -4.503 18.440 253 HE2 LYS 27 1HE LYS 27 12.979 -4.151 17.567 254 HE3 LYS 27 2HE LYS 27 11.978 -4.264 16.117 255 HZ1 LYS 27 3HZ LYS 27 12.697 -1.660 17.371 256 HZ2 LYS 27 1HZ LYS 27 12.080 -1.892 15.881 257 HZ3 LYS 27 2HZ LYS 27 13.618 -2.357 16.203 258 H LYS 28 H LYS 28 8.601 0.059 17.423 259 HA LYS 28 HA LYS 28 10.526 1.318 17.551 260 HB2 LYS 28 1HB LYS 28 9.200 1.854 20.233 261 HB3 LYS 28 2HB LYS 28 10.458 2.855 19.488 262 HG2 LYS 28 1HG LYS 28 8.948 3.054 17.445 263 HG3 LYS 28 2HG LYS 28 7.653 2.341 18.434 264 HD2 LYS 28 1HD LYS 28 7.855 4.221 20.037 265 HD3 LYS 28 2HD LYS 28 9.208 4.878 19.093 266 HE2 LYS 28 1HE LYS 28 7.192 4.492 17.178 267 HE3 LYS 28 2HE LYS 28 6.285 5.017 18.596 268 HZ1 LYS 28 3HZ LYS 28 8.581 6.479 17.393 269 HZ2 LYS 28 1HZ LYS 28 7.734 6.985 18.698 270 HZ3 LYS 28 2HZ LYS 28 7.015 6.901 17.236 Start of MODEL 14 1 H1 LYS 1 1H LYS 1 -13.877 11.047 -14.386 2 H2 LYS 1 2H LYS 1 -12.691 9.948 -14.193 3 H3 LYS 1 3H LYS 1 -12.933 10.650 -15.653 4 HA LYS 1 HA LYS 1 -14.860 8.924 -14.248 5 HB2 LYS 1 1HB LYS 1 -16.190 8.827 -16.260 6 HB3 LYS 1 2HB LYS 1 -16.047 10.461 -15.637 7 HG2 LYS 1 1HG LYS 1 -14.376 11.000 -17.389 8 HG3 LYS 1 2HG LYS 1 -14.536 9.379 -18.062 9 HD2 LYS 1 1HD LYS 1 -16.940 11.238 -17.823 10 HD3 LYS 1 2HD LYS 1 -15.790 11.344 -19.144 11 HE2 LYS 1 1HE LYS 1 -17.373 10.010 -20.102 12 HE3 LYS 1 2HE LYS 1 -16.191 8.828 -19.553 13 HZ1 LYS 1 3HZ LYS 1 -17.669 8.453 -17.591 14 HZ2 LYS 1 1HZ LYS 1 -18.432 8.133 -18.992 15 HZ3 LYS 1 2HZ LYS 1 -18.754 9.517 -18.200 16 H LYS 2 H LYS 2 -12.609 8.792 -17.074 17 HA LYS 2 HA LYS 2 -12.784 5.943 -17.421 18 HB2 LYS 2 1HB LYS 2 -10.755 8.031 -18.300 19 HB3 LYS 2 2HB LYS 2 -10.691 6.344 -18.812 20 HG2 LYS 2 1HG LYS 2 -12.605 6.490 -20.140 21 HG3 LYS 2 2HG LYS 2 -13.281 7.827 -19.224 22 HD2 LYS 2 1HD LYS 2 -12.681 8.783 -21.262 23 HD3 LYS 2 2HD LYS 2 -11.433 9.315 -20.133 24 HE2 LYS 2 1HE LYS 2 -9.937 7.476 -21.001 25 HE3 LYS 2 2HE LYS 2 -11.211 7.024 -22.141 26 HZ1 LYS 2 3HZ LYS 2 -11.044 9.305 -23.070 27 HZ2 LYS 2 1HZ LYS 2 -9.646 8.483 -23.231 28 HZ3 LYS 2 2HZ LYS 2 -9.786 9.631 -22.081 29 H LYS 3 H LYS 3 -12.401 4.770 -15.601 30 HA LYS 3 HA LYS 3 -9.856 5.058 -14.090 31 HB2 LYS 3 1HB LYS 3 -12.425 4.212 -13.337 32 HB3 LYS 3 2HB LYS 3 -11.568 2.693 -13.516 33 HG2 LYS 3 1HG LYS 3 -9.767 4.339 -12.077 34 HG3 LYS 3 2HG LYS 3 -11.339 4.802 -11.450 35 HD2 LYS 3 1HD LYS 3 -10.289 1.942 -11.625 36 HD3 LYS 3 2HD LYS 3 -10.135 2.952 -10.195 37 HE2 LYS 3 1HE LYS 3 -12.865 2.395 -11.411 38 HE3 LYS 3 2HE LYS 3 -12.085 1.218 -10.356 39 HZ1 LYS 3 3HZ LYS 3 -12.716 4.012 -9.569 40 HZ2 LYS 3 1HZ LYS 3 -11.968 2.912 -8.615 41 HZ3 LYS 3 2HZ LYS 3 -13.511 2.676 -9.075 42 H ASN 4 H ASN 4 -8.475 3.116 -13.740 43 HA ASN 4 HA ASN 4 -8.522 1.022 -15.851 44 HB2 ASN 4 1HB ASN 4 -6.568 3.272 -15.665 45 HB3 ASN 4 2HB ASN 4 -5.800 1.703 -15.644 46 HD21 ASN 4 2HD2 ASN 4 -8.543 3.180 -17.526 47 HD22 ASN 4 1HD2 ASN 4 -7.847 2.676 -19.065 48 H TRP 5 H TRP 5 -6.891 -0.712 -15.376 49 HA TRP 5 HA TRP 5 -7.105 -1.756 -12.743 50 HB2 TRP 5 1HB TRP 5 -5.608 -3.460 -13.469 51 HB3 TRP 5 2HB TRP 5 -6.664 -3.071 -14.810 52 HD1 TRP 5 HD1 TRP 5 -5.514 -1.622 -16.863 53 HE1 TRP 5 HE1 TRP 5 -3.099 -1.588 -17.733 54 HE3 TRP 5 HE3 TRP 5 -3.143 -3.681 -12.803 55 HZ2 TRP 5 HZ2 TRP 5 -0.496 -2.403 -16.830 56 HZ3 TRP 5 HZ3 TRP 5 -0.684 -4.059 -12.853 57 HH2 TRP 5 HH2 TRP 5 0.645 -3.429 -14.854 58 H PHE 6 H PHE 6 -4.676 0.351 -14.133 59 HA PHE 6 HA PHE 6 -2.659 0.231 -12.174 60 HB2 PHE 6 1HB PHE 6 -3.249 1.822 -14.471 61 HB3 PHE 6 2HB PHE 6 -2.923 2.932 -13.155 62 HD1 PHE 6 HD2 PHE 6 -1.553 0.149 -15.188 63 HD2 PHE 6 HD1 PHE 6 -0.693 3.065 -12.131 64 HE1 PHE 6 HE2 PHE 6 0.873 -0.331 -15.414 65 HE2 PHE 6 HE1 PHE 6 1.736 2.589 -12.365 66 HZ PHE 6 HZ PHE 6 2.521 0.890 -14.005 67 H ASP 7 H ASP 7 -5.697 2.118 -12.133 68 HA ASP 7 HA ASP 7 -5.131 3.586 -9.700 69 HB2 ASP 7 1HB ASP 7 -7.764 2.843 -11.035 70 HB3 ASP 7 2HB ASP 7 -7.612 3.914 -9.653 71 H ILE 8 H ILE 8 -6.538 0.398 -10.353 72 HA ILE 8 HA ILE 8 -7.427 -0.090 -7.625 73 HB ILE 8 HB ILE 8 -6.875 -2.112 -9.826 74 HG12 ILE 8 1HG1 ILE 8 -8.507 -0.549 -10.685 75 HG13 ILE 8 2HG1 ILE 8 -9.282 -2.069 -10.294 76 HG21 ILE 8 1HG2 ILE 8 -7.005 -3.226 -7.689 77 HG22 ILE 8 2HG2 ILE 8 -8.457 -2.315 -7.233 78 HG23 ILE 8 3HG2 ILE 8 -8.521 -3.510 -8.547 79 HD11 ILE 8 3HD1 ILE 8 -9.437 0.497 -8.647 80 HD12 ILE 8 1HD1 ILE 8 -10.712 -0.225 -9.642 81 HD13 ILE 8 2HD1 ILE 8 -10.176 -1.053 -8.177 82 H THR 9 H THR 9 -4.583 -1.310 -9.477 83 HA THR 9 HA THR 9 -3.418 -2.626 -7.209 84 HB THR 9 HB THR 9 -2.885 -3.144 -9.556 85 HG1 THR 9 HG1 THR 9 -0.667 -2.566 -7.887 86 HG21 THR 9 3HG2 THR 9 -2.478 -0.868 -10.400 87 HG22 THR 9 1HG2 THR 9 -1.136 -1.968 -10.742 88 HG23 THR 9 2HG2 THR 9 -0.987 -0.762 -9.444 89 H ASN 10 H ASN 10 -3.270 0.760 -8.150 90 HA ASN 10 HA ASN 10 -1.065 1.633 -6.598 91 HB2 ASN 10 1HB ASN 10 -2.037 3.093 -8.205 92 HB3 ASN 10 2HB ASN 10 -3.656 2.899 -7.546 93 HD21 ASN 10 2HD2 ASN 10 -4.368 4.248 -5.926 94 HD22 ASN 10 1HD2 ASN 10 -3.353 5.518 -5.249 95 H TRP 11 H TRP 11 -4.494 1.135 -5.609 96 HA TRP 11 HA TRP 11 -4.063 1.948 -2.856 97 HB2 TRP 11 1HB TRP 11 -6.234 0.191 -4.051 98 HB3 TRP 11 2HB TRP 11 -6.256 0.928 -2.454 99 HD1 TRP 11 HD1 TRP 11 -7.635 1.448 -5.717 100 HE1 TRP 11 HE1 TRP 11 -8.381 3.873 -6.137 101 HE3 TRP 11 HE3 TRP 11 -5.201 3.742 -1.829 102 HZ2 TRP 11 HZ2 TRP 11 -7.951 6.464 -4.970 103 HZ3 TRP 11 HZ3 TRP 11 -5.366 6.204 -1.529 104 HH2 TRP 11 HH2 TRP 11 -6.733 7.572 -3.088 105 H LEU 12 H LEU 12 -3.794 -1.161 -4.543 106 HA LEU 12 HA LEU 12 -3.514 -2.808 -2.223 107 HB2 LEU 12 1HB LEU 12 -3.529 -3.209 -4.993 108 HB3 LEU 12 2HB LEU 12 -1.899 -3.682 -4.533 109 HG LEU 12 HG LEU 12 -4.507 -4.751 -3.357 110 HD11 LEU 12 1HD1 LEU 12 -4.038 -5.478 -5.680 111 HD12 LEU 12 2HD1 LEU 12 -3.930 -6.822 -4.532 112 HD13 LEU 12 3HD1 LEU 12 -2.444 -6.077 -5.167 113 HD21 LEU 12 3HD2 LEU 12 -2.756 -4.888 -1.638 114 HD22 LEU 12 1HD2 LEU 12 -1.636 -5.627 -2.805 115 HD23 LEU 12 2HD2 LEU 12 -3.099 -6.493 -2.281 116 H TRP 13 H TRP 13 -1.144 -0.892 -4.031 117 HA TRP 13 HA TRP 13 1.209 -1.717 -2.706 118 HB2 TRP 13 1HB TRP 13 0.751 -0.050 -4.735 119 HB3 TRP 13 2HB TRP 13 0.894 1.171 -3.482 120 HD1 TRP 13 HD1 TRP 13 2.814 -1.669 -5.170 121 HE1 TRP 13 HE1 TRP 13 5.357 -1.278 -4.977 122 HE3 TRP 13 HE3 TRP 13 2.795 2.464 -2.123 123 HZ2 TRP 13 HZ2 TRP 13 7.132 0.554 -3.676 124 HZ3 TRP 13 HZ3 TRP 13 4.951 3.529 -1.458 125 HH2 TRP 13 HH2 TRP 13 7.109 2.578 -2.207 126 H TYR 14 H TYR 14 -1.181 0.714 -1.632 127 HA TYR 14 HA TYR 14 0.267 1.732 0.599 128 HB2 TYR 14 1HB TYR 14 -1.761 2.777 -0.344 129 HB3 TYR 14 2HB TYR 14 -2.737 1.442 0.259 130 HD1 TYR 14 HD2 TYR 14 -0.566 4.297 1.303 131 HD2 TYR 14 HD1 TYR 14 -3.483 1.367 2.548 132 HE1 TYR 14 HE2 TYR 14 -0.797 5.456 3.493 133 HE2 TYR 14 HE1 TYR 14 -3.707 2.533 4.743 134 HH TYR 14 HH TYR 14 -1.837 5.484 5.530 135 H ILE 15 H ILE 15 -1.884 -1.104 0.397 136 HA ILE 15 HA ILE 15 -1.879 -1.783 3.195 137 HB ILE 15 HB ILE 15 -2.330 -3.457 0.701 138 HG12 ILE 15 1HG1 ILE 15 -4.486 -2.734 2.690 139 HG13 ILE 15 2HG1 ILE 15 -3.950 -1.469 1.596 140 HG21 ILE 15 1HG2 ILE 15 -1.678 -5.014 2.463 141 HG22 ILE 15 2HG2 ILE 15 -2.765 -4.219 3.623 142 HG23 ILE 15 3HG2 ILE 15 -3.422 -5.118 2.240 143 HD11 ILE 15 3HD1 ILE 15 -5.923 -2.759 0.759 144 HD12 ILE 15 1HD1 ILE 15 -4.547 -2.721 -0.349 145 HD13 ILE 15 2HD1 ILE 15 -4.879 -4.189 0.597 146 H LYS 16 H LYS 16 0.088 -3.105 0.517 147 HA LYS 16 HA LYS 16 1.911 -4.658 2.109 148 HB2 LYS 16 1HB LYS 16 1.711 -3.683 -0.693 149 HB3 LYS 16 2HB LYS 16 3.365 -3.858 -0.146 150 HG2 LYS 16 1HG LYS 16 1.536 -6.147 0.522 151 HG3 LYS 16 2HG LYS 16 1.836 -5.893 -1.188 152 HD2 LYS 16 1HD LYS 16 4.102 -6.119 0.841 153 HD3 LYS 16 2HD LYS 16 3.402 -7.508 -0.008 154 HE2 LYS 16 1HE LYS 16 3.889 -6.389 -2.200 155 HE3 LYS 16 2HE LYS 16 4.706 -5.085 -1.333 156 HZ1 LYS 16 3HZ LYS 16 6.278 -6.758 -2.113 157 HZ2 LYS 16 1HZ LYS 16 5.524 -7.944 -1.288 158 HZ3 LYS 16 2HZ LYS 16 6.288 -6.743 -0.481 159 H LEU 17 H LEU 17 2.210 -1.304 0.991 160 HA LEU 17 HA LEU 17 4.706 -0.668 2.156 161 HB2 LEU 17 1HB LEU 17 3.610 0.765 0.529 162 HB3 LEU 17 2HB LEU 17 2.236 1.007 1.606 163 HG LEU 17 HG LEU 17 3.706 2.214 3.210 164 HD11 LEU 17 1HD1 LEU 17 5.902 1.284 2.607 165 HD12 LEU 17 2HD1 LEU 17 5.909 3.037 2.396 166 HD13 LEU 17 3HD1 LEU 17 5.769 1.979 0.974 167 HD21 LEU 17 3HD2 LEU 17 3.873 4.265 1.876 168 HD22 LEU 17 1HD2 LEU 17 2.338 3.424 1.606 169 HD23 LEU 17 2HD2 LEU 17 3.626 3.318 0.390 170 H PHE 18 H PHE 18 1.418 -0.322 3.632 171 HA PHE 18 HA PHE 18 2.264 0.678 6.130 172 HB2 PHE 18 1HB PHE 18 -0.086 0.573 5.320 173 HB3 PHE 18 2HB PHE 18 -0.095 -1.166 5.595 174 HD1 PHE 18 HD2 PHE 18 -0.046 2.174 7.190 175 HD2 PHE 18 HD1 PHE 18 -0.146 -2.083 7.899 176 HE1 PHE 18 HE2 PHE 18 -0.647 2.580 9.566 177 HE2 PHE 18 HE1 PHE 18 -0.733 -1.669 10.278 178 HZ PHE 18 HZ PHE 18 -0.994 0.661 11.110 179 H ILE 19 H ILE 19 1.815 -2.768 5.196 180 HA ILE 19 HA ILE 19 2.707 -3.923 7.644 181 HB ILE 19 HB ILE 19 2.979 -5.011 4.815 182 HG12 ILE 19 1HG1 ILE 19 0.947 -5.876 6.904 183 HG13 ILE 19 2HG1 ILE 19 0.595 -4.503 5.868 184 HG21 ILE 19 1HG2 ILE 19 4.531 -6.212 6.299 185 HG22 ILE 19 2HG2 ILE 19 3.267 -6.385 7.535 186 HG23 ILE 19 3HG2 ILE 19 3.149 -7.252 5.996 187 HD11 ILE 19 3HD1 ILE 19 -0.272 -6.789 5.099 188 HD12 ILE 19 1HD1 ILE 19 0.559 -5.784 3.896 189 HD13 ILE 19 2HD1 ILE 19 1.396 -7.161 4.636 190 H MET 20 H MET 20 4.649 -2.977 4.776 191 HA MET 20 HA MET 20 7.199 -3.761 5.801 192 HB2 MET 20 1HB MET 20 6.446 -1.604 3.796 193 HB3 MET 20 2HB MET 20 8.096 -2.125 4.109 194 HG2 MET 20 1HG MET 20 6.167 -4.321 3.505 195 HG3 MET 20 2HG MET 20 6.444 -3.190 2.194 196 HE1 MET 20 3HE MET 20 9.160 -2.366 1.783 197 HE2 MET 20 1HE MET 20 9.988 -3.736 1.012 198 HE3 MET 20 2HE MET 20 8.323 -3.332 0.548 199 H ILE 21 H ILE 21 5.508 -0.614 6.110 200 HA ILE 21 HA ILE 21 7.572 0.737 7.600 201 HB ILE 21 HB ILE 21 4.570 1.188 7.428 202 HG12 ILE 21 1HG1 ILE 21 6.805 2.896 6.251 203 HG13 ILE 21 2HG1 ILE 21 6.104 1.556 5.356 204 HG21 ILE 21 1HG2 ILE 21 5.107 3.477 8.412 205 HG22 ILE 21 2HG2 ILE 21 5.268 2.141 9.532 206 HG23 ILE 21 3HG2 ILE 21 6.724 2.860 8.798 207 HD11 ILE 21 3HD1 ILE 21 5.008 3.609 4.689 208 HD12 ILE 21 1HD1 ILE 21 3.844 2.580 5.550 209 HD13 ILE 21 2HD1 ILE 21 4.564 3.992 6.351 210 H VAL 22 H VAL 22 4.568 -0.887 8.774 211 HA VAL 22 HA VAL 22 5.170 -0.649 11.571 212 HB VAL 22 HB VAL 22 3.501 -2.751 10.155 213 HG11 VAL 22 1HG1 VAL 22 2.332 -2.980 12.348 214 HG12 VAL 22 2HG1 VAL 22 3.999 -3.549 12.411 215 HG13 VAL 22 3HG1 VAL 22 3.581 -1.962 13.102 216 HG21 VAL 22 3HG2 VAL 22 2.856 -0.057 11.493 217 HG22 VAL 22 1HG2 VAL 22 2.584 -0.479 9.796 218 HG23 VAL 22 2HG2 VAL 22 1.618 -1.244 11.056 219 H GLY 23 H GLY 23 6.185 -3.114 9.203 220 HA2 GLY 23 1HA GLY 23 7.285 -4.996 10.894 221 HA3 GLY 23 2HA GLY 23 7.948 -4.600 9.303 222 H GLY 24 H GLY 24 8.535 -1.777 10.322 223 HA2 GLY 24 1HA GLY 24 11.031 -2.315 11.908 224 HA3 GLY 24 2HA GLY 24 10.807 -0.991 10.773 225 H LEU 25 H LEU 25 8.007 -0.490 11.953 226 HA LEU 25 HA LEU 25 8.876 1.171 14.255 227 HB2 LEU 25 1HB LEU 25 6.263 1.057 12.711 228 HB3 LEU 25 2HB LEU 25 6.581 2.137 14.061 229 HG LEU 25 HG LEU 25 7.980 2.187 11.358 230 HD11 LEU 25 1HD1 LEU 25 6.851 4.323 11.112 231 HD12 LEU 25 2HD1 LEU 25 6.211 4.233 12.769 232 HD13 LEU 25 3HD1 LEU 25 5.636 3.103 11.537 233 HD21 LEU 25 3HD2 LEU 25 8.443 3.921 13.825 234 HD22 LEU 25 1HD2 LEU 25 9.044 4.293 12.193 235 HD23 LEU 25 2HD2 LEU 25 9.631 2.858 13.038 236 H VAL 26 H VAL 26 7.138 -1.832 13.857 237 HA VAL 26 HA VAL 26 5.592 -1.787 16.237 238 HB VAL 26 HB VAL 26 5.433 -3.443 14.382 239 HG11 VAL 26 1HG1 VAL 26 7.692 -4.945 15.761 240 HG12 VAL 26 2HG1 VAL 26 6.755 -5.451 14.345 241 HG13 VAL 26 3HG1 VAL 26 7.854 -4.075 14.215 242 HG21 VAL 26 3HG2 VAL 26 4.738 -5.322 15.764 243 HG22 VAL 26 1HG2 VAL 26 5.556 -4.612 17.170 244 HG23 VAL 26 2HG2 VAL 26 4.184 -3.770 16.410 245 H LYS 27 H LYS 27 8.989 -2.445 15.786 246 HA LYS 27 HA LYS 27 9.469 -3.322 18.547 247 HB2 LYS 27 1HB LYS 27 11.717 -3.695 17.859 248 HB3 LYS 27 2HB LYS 27 10.648 -4.280 16.595 249 HG2 LYS 27 1HG LYS 27 11.817 -3.080 15.094 250 HG3 LYS 27 2HG LYS 27 11.185 -1.614 15.836 251 HD2 LYS 27 1HD LYS 27 13.542 -1.391 15.693 252 HD3 LYS 27 2HD LYS 27 13.134 -1.588 17.407 253 HE2 LYS 27 1HE LYS 27 13.806 -3.968 17.303 254 HE3 LYS 27 2HE LYS 27 14.117 -3.823 15.568 255 HZ1 LYS 27 3HZ LYS 27 15.584 -2.325 17.678 256 HZ2 LYS 27 1HZ LYS 27 15.885 -2.233 16.073 257 HZ3 LYS 27 2HZ LYS 27 16.161 -3.622 16.878 258 H LYS 28 H LYS 28 9.697 -0.246 16.883 259 HA LYS 28 HA LYS 28 10.298 1.105 19.377 260 HB2 LYS 28 1HB LYS 28 12.270 2.297 18.709 261 HB3 LYS 28 2HB LYS 28 12.542 0.574 18.691 262 HG2 LYS 28 1HG LYS 28 13.529 0.897 16.724 263 HG3 LYS 28 2HG LYS 28 11.911 0.996 16.032 264 HD2 LYS 28 1HD LYS 28 12.006 3.509 16.414 265 HD3 LYS 28 2HD LYS 28 13.671 3.327 16.959 266 HE2 LYS 28 1HE LYS 28 12.634 2.484 14.212 267 HE3 LYS 28 2HE LYS 28 13.373 4.051 14.554 268 HZ1 LYS 28 3HZ LYS 28 15.005 2.512 13.663 269 HZ2 LYS 28 1HZ LYS 28 14.751 1.438 14.861 270 HZ3 LYS 28 2HZ LYS 28 15.416 2.896 15.192 Start of MODEL 15 1 H1 LYS 1 1H LYS 1 -12.633 10.581 -15.995 2 H2 LYS 1 2H LYS 1 -13.265 11.962 -15.398 3 H3 LYS 1 3H LYS 1 -12.869 10.754 -14.383 4 HA LYS 1 HA LYS 1 -15.249 10.932 -14.689 5 HB2 LYS 1 1HB LYS 1 -14.814 11.578 -17.256 6 HB3 LYS 1 2HB LYS 1 -15.067 9.847 -17.488 7 HG2 LYS 1 1HG LYS 1 -17.200 10.219 -15.964 8 HG3 LYS 1 2HG LYS 1 -16.931 11.936 -16.312 9 HD2 LYS 1 1HD LYS 1 -17.046 11.427 -18.757 10 HD3 LYS 1 2HD LYS 1 -17.362 9.728 -18.380 11 HE2 LYS 1 1HE LYS 1 -19.164 11.563 -16.916 12 HE3 LYS 1 2HE LYS 1 -19.232 11.841 -18.652 13 HZ1 LYS 1 3HZ LYS 1 -20.613 10.098 -18.709 14 HZ2 LYS 1 1HZ LYS 1 -20.295 9.639 -17.179 15 HZ3 LYS 1 2HZ LYS 1 -19.356 9.108 -18.406 16 H LYS 2 H LYS 2 -13.604 8.354 -16.633 17 HA LYS 2 HA LYS 2 -14.468 6.339 -14.585 18 HB2 LYS 2 1HB LYS 2 -14.416 6.208 -17.602 19 HB3 LYS 2 2HB LYS 2 -13.944 4.783 -16.688 20 HG2 LYS 2 1HG LYS 2 -16.181 5.243 -15.331 21 HG3 LYS 2 2HG LYS 2 -16.653 6.108 -16.796 22 HD2 LYS 2 1HD LYS 2 -15.605 3.233 -16.720 23 HD3 LYS 2 2HD LYS 2 -17.308 3.619 -16.605 24 HE2 LYS 2 1HE LYS 2 -15.737 4.702 -18.954 25 HE3 LYS 2 2HE LYS 2 -16.134 2.985 -18.920 26 HZ1 LYS 2 3HZ LYS 2 -17.860 4.267 -20.045 27 HZ2 LYS 2 1HZ LYS 2 -18.156 5.147 -18.701 28 HZ3 LYS 2 2HZ LYS 2 -18.469 3.542 -18.721 29 H LYS 3 H LYS 3 -12.964 5.651 -13.403 30 HA LYS 3 HA LYS 3 -10.101 5.933 -13.828 31 HB2 LYS 3 1HB LYS 3 -11.928 5.231 -11.686 32 HB3 LYS 3 2HB LYS 3 -10.687 3.991 -11.779 33 HG2 LYS 3 1HG LYS 3 -8.930 5.524 -11.407 34 HG3 LYS 3 2HG LYS 3 -9.928 6.938 -11.810 35 HD2 LYS 3 1HD LYS 3 -11.126 6.869 -9.802 36 HD3 LYS 3 2HD LYS 3 -10.718 5.181 -9.491 37 HE2 LYS 3 1HE LYS 3 -9.519 6.548 -7.919 38 HE3 LYS 3 2HE LYS 3 -8.382 5.771 -9.026 39 HZ1 LYS 3 3HZ LYS 3 -9.282 8.599 -9.224 40 HZ2 LYS 3 1HZ LYS 3 -8.210 7.864 -10.236 41 HZ3 LYS 3 2HZ LYS 3 -7.827 8.099 -8.676 42 H ASN 4 H ASN 4 -8.661 3.941 -13.526 43 HA ASN 4 HA ASN 4 -9.513 1.742 -15.391 44 HB2 ASN 4 1HB ASN 4 -6.810 3.158 -15.241 45 HB3 ASN 4 2HB ASN 4 -7.169 1.749 -16.233 46 HD21 ASN 4 2HD2 ASN 4 -7.459 5.230 -16.033 47 HD22 ASN 4 1HD2 ASN 4 -8.260 5.392 -17.591 48 H TRP 5 H TRP 5 -8.511 -0.291 -15.110 49 HA TRP 5 HA TRP 5 -8.206 -1.232 -12.459 50 HB2 TRP 5 1HB TRP 5 -7.702 -3.308 -13.403 51 HB3 TRP 5 2HB TRP 5 -8.800 -2.554 -14.542 52 HD1 TRP 5 HD1 TRP 5 -7.623 -1.609 -16.869 53 HE1 TRP 5 HE1 TRP 5 -5.539 -2.416 -18.146 54 HE3 TRP 5 HE3 TRP 5 -5.427 -4.411 -13.178 55 HZ2 TRP 5 HZ2 TRP 5 -3.229 -4.053 -17.638 56 HZ3 TRP 5 HZ3 TRP 5 -3.288 -5.605 -13.614 57 HH2 TRP 5 HH2 TRP 5 -2.182 -5.432 -15.832 58 H PHE 6 H PHE 6 -5.770 0.041 -14.663 59 HA PHE 6 HA PHE 6 -3.439 -0.806 -13.259 60 HB2 PHE 6 1HB PHE 6 -4.044 0.770 -15.554 61 HB3 PHE 6 2HB PHE 6 -3.094 1.805 -14.516 62 HD1 PHE 6 HD1 PHE 6 -1.058 0.180 -13.279 63 HD2 PHE 6 HD2 PHE 6 -2.742 -0.166 -17.241 64 HE1 PHE 6 HE1 PHE 6 1.007 -0.937 -14.061 65 HE2 PHE 6 HE2 PHE 6 -0.662 -1.269 -18.021 66 HZ PHE 6 HZ PHE 6 1.214 -1.663 -16.433 67 H ASP 7 H ASP 7 -5.648 1.902 -12.585 68 HA ASP 7 HA ASP 7 -3.827 3.225 -10.745 69 HB2 ASP 7 1HB ASP 7 -6.156 3.961 -12.010 70 HB3 ASP 7 2HB ASP 7 -6.777 3.590 -10.409 71 H ILE 8 H ILE 8 -6.088 0.581 -10.511 72 HA ILE 8 HA ILE 8 -6.374 0.464 -7.646 73 HB ILE 8 HB ILE 8 -6.592 -1.836 -9.609 74 HG12 ILE 8 1HG1 ILE 8 -8.056 -0.089 -10.432 75 HG13 ILE 8 2HG1 ILE 8 -8.989 -1.402 -9.748 76 HG21 ILE 8 1HG2 ILE 8 -6.805 -2.982 -7.709 77 HG22 ILE 8 2HG2 ILE 8 -7.203 -1.565 -6.717 78 HG23 ILE 8 3HG2 ILE 8 -8.449 -2.363 -7.692 79 HD11 ILE 8 3HD1 ILE 8 -9.976 0.732 -9.129 80 HD12 ILE 8 1HD1 ILE 8 -9.342 -0.041 -7.664 81 HD13 ILE 8 2HD1 ILE 8 -8.450 1.298 -8.429 82 H THR 9 H THR 9 -3.902 -0.906 -9.864 83 HA THR 9 HA THR 9 -2.639 -2.564 -7.905 84 HB THR 9 HB THR 9 -0.762 -2.757 -9.262 85 HG1 THR 9 HG1 THR 9 -0.305 -1.389 -10.962 86 HG21 THR 9 3HG2 THR 9 -1.617 -3.324 -11.449 87 HG22 THR 9 1HG2 THR 9 -3.027 -2.269 -11.241 88 HG23 THR 9 2HG2 THR 9 -2.854 -3.734 -10.246 89 H ASN 10 H ASN 10 -2.278 0.865 -8.587 90 HA ASN 10 HA ASN 10 -0.034 1.461 -6.968 91 HB2 ASN 10 1HB ASN 10 -1.830 2.870 -8.596 92 HB3 ASN 10 2HB ASN 10 -2.172 3.534 -7.007 93 HD21 ASN 10 2HD2 ASN 10 -0.933 4.796 -9.388 94 HD22 ASN 10 1HD2 ASN 10 0.648 5.337 -8.834 95 H TRP 11 H TRP 11 -3.497 1.430 -6.086 96 HA TRP 11 HA TRP 11 -3.085 1.974 -3.267 97 HB2 TRP 11 1HB TRP 11 -5.473 0.763 -4.708 98 HB3 TRP 11 2HB TRP 11 -5.459 1.378 -3.060 99 HD1 TRP 11 HD1 TRP 11 -6.299 2.415 -6.447 100 HE1 TRP 11 HE1 TRP 11 -6.534 4.965 -6.673 101 HE3 TRP 11 HE3 TRP 11 -4.182 3.835 -1.997 102 HZ2 TRP 11 HZ2 TRP 11 -5.897 7.308 -5.135 103 HZ3 TRP 11 HZ3 TRP 11 -4.001 6.245 -1.411 104 HH2 TRP 11 HH2 TRP 11 -4.850 7.985 -2.967 105 H LEU 12 H LEU 12 -3.603 -1.057 -5.109 106 HA LEU 12 HA LEU 12 -3.633 -2.849 -2.886 107 HB2 LEU 12 1HB LEU 12 -2.764 -3.188 -5.770 108 HB3 LEU 12 2HB LEU 12 -2.779 -4.529 -4.638 109 HG LEU 12 HG LEU 12 -5.284 -2.896 -5.219 110 HD11 LEU 12 1HD1 LEU 12 -4.544 -3.875 -7.319 111 HD12 LEU 12 2HD1 LEU 12 -5.898 -4.834 -6.698 112 HD13 LEU 12 3HD1 LEU 12 -4.239 -5.442 -6.538 113 HD21 LEU 12 3HD2 LEU 12 -6.447 -4.851 -4.343 114 HD22 LEU 12 1HD2 LEU 12 -5.298 -4.281 -3.129 115 HD23 LEU 12 2HD2 LEU 12 -4.910 -5.713 -4.110 116 H TRP 13 H TRP 13 -0.847 -1.465 -4.640 117 HA TRP 13 HA TRP 13 1.148 -3.033 -3.345 118 HB2 TRP 13 1HB TRP 13 1.182 -1.220 -5.360 119 HB3 TRP 13 2HB TRP 13 1.807 -0.205 -4.079 120 HD1 TRP 13 HD1 TRP 13 2.443 -3.810 -5.359 121 HE1 TRP 13 HE1 TRP 13 4.977 -4.215 -5.582 122 HE3 TRP 13 HE3 TRP 13 4.146 0.768 -3.795 123 HZ2 TRP 13 HZ2 TRP 13 7.407 -2.755 -5.142 124 HZ3 TRP 13 HZ3 TRP 13 6.590 1.240 -3.738 125 HH2 TRP 13 HH2 TRP 13 8.224 -0.510 -4.399 126 H TYR 14 H TYR 14 -0.316 0.068 -2.346 127 HA TYR 14 HA TYR 14 1.340 0.625 -0.131 128 HB2 TYR 14 1HB TYR 14 -0.162 2.263 -1.078 129 HB3 TYR 14 2HB TYR 14 -1.570 1.306 -0.648 130 HD1 TYR 14 HD1 TYR 14 1.136 3.468 0.697 131 HD2 TYR 14 HD2 TYR 14 -2.468 1.267 1.603 132 HE1 TYR 14 HE1 TYR 14 1.004 4.590 2.917 133 HE2 TYR 14 HE2 TYR 14 -2.584 2.383 3.830 134 HH TYR 14 HH TYR 14 -0.158 4.799 4.878 135 H ILE 15 H ILE 15 -1.313 -1.680 -0.370 136 HA ILE 15 HA ILE 15 -1.819 -2.179 2.379 137 HB ILE 15 HB ILE 15 -1.852 -4.240 0.147 138 HG12 ILE 15 1HG1 ILE 15 -3.186 -2.420 -0.658 139 HG13 ILE 15 2HG1 ILE 15 -4.246 -3.709 -0.148 140 HG21 ILE 15 1HG2 ILE 15 -3.781 -5.146 1.617 141 HG22 ILE 15 2HG2 ILE 15 -2.119 -5.421 2.143 142 HG23 ILE 15 3HG2 ILE 15 -3.088 -4.142 2.906 143 HD11 ILE 15 3HD1 ILE 15 -3.698 -1.095 1.320 144 HD12 ILE 15 1HD1 ILE 15 -5.192 -1.590 0.514 145 HD13 ILE 15 2HD1 ILE 15 -4.678 -2.424 1.994 146 H LYS 16 H LYS 16 0.706 -3.553 0.276 147 HA LYS 16 HA LYS 16 1.945 -5.159 2.417 148 HB2 LYS 16 1HB LYS 16 2.333 -4.711 -0.502 149 HB3 LYS 16 2HB LYS 16 3.836 -4.887 0.374 150 HG2 LYS 16 1HG LYS 16 1.811 -6.929 1.144 151 HG3 LYS 16 2HG LYS 16 2.229 -6.958 -0.567 152 HD2 LYS 16 1HD LYS 16 4.625 -7.148 -0.031 153 HD3 LYS 16 2HD LYS 16 4.258 -7.041 1.706 154 HE2 LYS 16 1HE LYS 16 2.888 -9.108 1.528 155 HE3 LYS 16 2HE LYS 16 3.292 -9.240 -0.187 156 HZ1 LYS 16 3HZ LYS 16 5.510 -9.075 1.735 157 HZ2 LYS 16 1HZ LYS 16 5.442 -9.872 0.311 158 HZ3 LYS 16 2HZ LYS 16 4.704 -10.488 1.628 159 H LEU 17 H LEU 17 2.514 -1.951 1.043 160 HA LEU 17 HA LEU 17 4.979 -1.365 2.390 161 HB2 LEU 17 1HB LEU 17 2.732 0.320 1.313 162 HB3 LEU 17 2HB LEU 17 3.926 1.072 2.332 163 HG LEU 17 HG LEU 17 5.698 0.659 0.869 164 HD11 LEU 17 1HD1 LEU 17 5.253 -1.596 0.027 165 HD12 LEU 17 2HD1 LEU 17 5.529 -0.476 -1.305 166 HD13 LEU 17 3HD1 LEU 17 3.878 -0.981 -0.918 167 HD21 LEU 17 3HD2 LEU 17 4.187 2.540 0.310 168 HD22 LEU 17 1HD2 LEU 17 3.323 1.487 -0.835 169 HD23 LEU 17 2HD2 LEU 17 5.028 1.897 -1.111 170 H PHE 18 H PHE 18 1.607 -1.056 3.583 171 HA PHE 18 HA PHE 18 2.171 0.115 6.090 172 HB2 PHE 18 1HB PHE 18 -0.095 -0.289 5.196 173 HB3 PHE 18 2HB PHE 18 0.101 -2.018 5.448 174 HD1 PHE 18 HD2 PHE 18 -0.371 1.258 7.117 175 HD2 PHE 18 HD1 PHE 18 -0.001 -3.002 7.705 176 HE1 PHE 18 HE2 PHE 18 -1.206 1.501 9.445 177 HE2 PHE 18 HE1 PHE 18 -0.825 -2.750 10.033 178 HZ PHE 18 HZ PHE 18 -1.441 -0.502 10.901 179 H ILE 19 H ILE 19 2.333 -3.351 5.214 180 HA ILE 19 HA ILE 19 3.084 -4.321 7.798 181 HB ILE 19 HB ILE 19 3.848 -5.571 5.135 182 HG12 ILE 19 1HG1 ILE 19 1.281 -6.019 6.721 183 HG13 ILE 19 2HG1 ILE 19 1.404 -5.101 5.219 184 HG21 ILE 19 1HG2 ILE 19 5.021 -6.831 6.649 185 HG22 ILE 19 2HG2 ILE 19 3.955 -6.440 8.010 186 HG23 ILE 19 3HG2 ILE 19 3.480 -7.664 6.839 187 HD11 ILE 19 3HD1 ILE 19 2.373 -7.218 4.132 188 HD12 ILE 19 1HD1 ILE 19 1.727 -8.079 5.550 189 HD13 ILE 19 2HD1 ILE 19 0.638 -7.168 4.497 190 H MET 20 H MET 20 5.088 -3.177 5.069 191 HA MET 20 HA MET 20 7.663 -3.658 6.286 192 HB2 MET 20 1HB MET 20 6.737 -1.659 4.189 193 HB3 MET 20 2HB MET 20 8.410 -1.791 4.700 194 HG2 MET 20 1HG MET 20 6.958 -4.259 3.726 195 HG3 MET 20 2HG MET 20 7.547 -3.051 2.587 196 HE1 MET 20 3HE MET 20 8.673 -5.443 1.676 197 HE2 MET 20 1HE MET 20 9.426 -3.893 1.236 198 HE3 MET 20 2HE MET 20 10.441 -5.257 1.747 199 H ILE 21 H ILE 21 5.573 -0.737 6.293 200 HA ILE 21 HA ILE 21 7.304 0.928 7.850 201 HB ILE 21 HB ILE 21 4.283 0.978 7.468 202 HG12 ILE 21 1HG1 ILE 21 6.279 2.915 6.245 203 HG13 ILE 21 2HG1 ILE 21 5.953 1.382 5.456 204 HG21 ILE 21 1HG2 ILE 21 4.524 3.420 8.220 205 HG22 ILE 21 2HG2 ILE 21 4.701 2.213 9.483 206 HG23 ILE 21 3HG2 ILE 21 6.146 2.994 8.792 207 HD11 ILE 21 3HD1 ILE 21 3.554 1.902 5.289 208 HD12 ILE 21 1HD1 ILE 21 3.813 3.456 6.105 209 HD13 ILE 21 2HD1 ILE 21 4.542 3.157 4.519 210 H VAL 22 H VAL 22 4.413 -0.960 8.938 211 HA VAL 22 HA VAL 22 4.897 -0.434 11.744 212 HB VAL 22 HB VAL 22 3.267 -2.676 10.511 213 HG11 VAL 22 1HG1 VAL 22 2.034 -2.587 12.696 214 HG12 VAL 22 2HG1 VAL 22 3.693 -3.148 12.866 215 HG13 VAL 22 3HG1 VAL 22 3.276 -1.477 13.320 216 HG21 VAL 22 3HG2 VAL 22 2.316 -0.561 9.770 217 HG22 VAL 22 1HG2 VAL 22 1.361 -1.030 11.172 218 HG23 VAL 22 2HG2 VAL 22 2.619 0.206 11.339 219 H GLY 23 H GLY 23 6.022 -3.061 9.594 220 HA2 GLY 23 1HA GLY 23 7.026 -4.829 11.471 221 HA3 GLY 23 2HA GLY 23 7.762 -4.540 9.887 222 H GLY 24 H GLY 24 8.338 -1.699 10.607 223 HA2 GLY 24 1HA GLY 24 10.763 -2.049 12.332 224 HA3 GLY 24 2HA GLY 24 10.514 -0.781 11.137 225 H LEU 25 H LEU 25 7.777 -0.058 12.038 226 HA LEU 25 HA LEU 25 8.534 1.631 14.306 227 HB2 LEU 25 1HB LEU 25 5.965 1.378 12.707 228 HB3 LEU 25 2HB LEU 25 6.188 2.522 14.023 229 HG LEU 25 HG LEU 25 7.750 2.498 11.408 230 HD11 LEU 25 1HD1 LEU 25 5.813 4.536 12.588 231 HD12 LEU 25 2HD1 LEU 25 5.372 3.327 11.371 232 HD13 LEU 25 3HD1 LEU 25 6.570 4.574 10.977 233 HD21 LEU 25 3HD2 LEU 25 7.995 4.318 13.843 234 HD22 LEU 25 1HD2 LEU 25 8.646 4.706 12.234 235 HD23 LEU 25 2HD2 LEU 25 9.273 3.313 13.115 236 H VAL 26 H VAL 26 6.832 -1.409 14.140 237 HA VAL 26 HA VAL 26 5.257 -1.185 16.490 238 HB VAL 26 HB VAL 26 5.070 -2.945 14.768 239 HG11 VAL 26 1HG1 VAL 26 7.495 -3.596 14.596 240 HG12 VAL 26 2HG1 VAL 26 7.342 -4.402 16.176 241 HG13 VAL 26 3HG1 VAL 26 6.382 -4.953 14.791 242 HG21 VAL 26 3HG2 VAL 26 5.272 -4.063 17.571 243 HG22 VAL 26 1HG2 VAL 26 3.901 -3.144 16.897 244 HG23 VAL 26 2HG2 VAL 26 4.336 -4.716 16.209 245 H LYS 27 H LYS 27 8.633 -1.953 16.141 246 HA LYS 27 HA LYS 27 9.054 -2.567 19.006 247 HB2 LYS 27 1HB LYS 27 11.318 -3.131 18.350 248 HB3 LYS 27 2HB LYS 27 10.156 -3.891 17.252 249 HG2 LYS 27 1HG LYS 27 10.564 -2.061 15.599 250 HG3 LYS 27 2HG LYS 27 11.767 -1.357 16.689 251 HD2 LYS 27 1HD LYS 27 12.929 -2.483 15.025 252 HD3 LYS 27 2HD LYS 27 13.099 -3.465 16.490 253 HE2 LYS 27 1HE LYS 27 11.446 -5.066 15.681 254 HE3 LYS 27 2HE LYS 27 10.978 -3.996 14.352 255 HZ1 LYS 27 3HZ LYS 27 13.637 -5.296 14.612 256 HZ2 LYS 27 1HZ LYS 27 13.186 -4.309 13.390 257 HZ3 LYS 27 2HZ LYS 27 12.456 -5.752 13.580 258 H LYS 28 H LYS 28 9.710 0.094 16.828 259 HA LYS 28 HA LYS 28 11.455 1.661 18.468 260 HB2 LYS 28 1HB LYS 28 9.531 2.428 16.240 261 HB3 LYS 28 2HB LYS 28 10.590 3.594 17.014 262 HG2 LYS 28 1HG LYS 28 11.583 1.110 15.562 263 HG3 LYS 28 2HG LYS 28 11.453 2.724 14.857 264 HD2 LYS 28 1HD LYS 28 13.036 3.490 16.769 265 HD3 LYS 28 2HD LYS 28 13.301 1.756 17.061 266 HE2 LYS 28 1HE LYS 28 13.728 1.700 14.436 267 HE3 LYS 28 2HE LYS 28 13.981 3.437 14.630 268 HZ1 LYS 28 3HZ LYS 28 16.071 2.262 14.839 269 HZ2 LYS 28 1HZ LYS 28 15.500 1.286 16.012 270 HZ3 LYS 28 2HZ LYS 28 15.711 2.882 16.306 Start of MODEL 16 1 H1 LYS 1 1H LYS 1 -10.530 8.588 -7.942 2 H2 LYS 1 2H LYS 1 -9.341 9.418 -8.689 3 H3 LYS 1 3H LYS 1 -10.539 10.221 -7.902 4 HA LYS 1 HA LYS 1 -12.183 9.353 -9.449 5 HB2 LYS 1 1HB LYS 1 -11.794 10.871 -11.217 6 HB3 LYS 1 2HB LYS 1 -11.130 11.601 -9.774 7 HG2 LYS 1 1HG LYS 1 -8.881 10.315 -10.869 8 HG3 LYS 1 2HG LYS 1 -9.816 10.741 -12.296 9 HD2 LYS 1 1HD LYS 1 -8.417 12.590 -11.986 10 HD3 LYS 1 2HD LYS 1 -9.941 13.138 -11.271 11 HE2 LYS 1 1HE LYS 1 -9.046 12.423 -9.003 12 HE3 LYS 1 2HE LYS 1 -7.526 11.970 -9.788 13 HZ1 LYS 1 3HZ LYS 1 -7.360 14.179 -8.850 14 HZ2 LYS 1 1HZ LYS 1 -8.662 14.714 -9.672 15 HZ3 LYS 1 2HZ LYS 1 -7.292 14.318 -10.473 16 H LYS 2 H LYS 2 -12.656 8.242 -11.431 17 HA LYS 2 HA LYS 2 -11.069 5.835 -11.898 18 HB2 LYS 2 1HB LYS 2 -13.581 7.031 -13.109 19 HB3 LYS 2 2HB LYS 2 -12.755 5.696 -13.923 20 HG2 LYS 2 1HG LYS 2 -12.876 4.294 -11.949 21 HG3 LYS 2 2HG LYS 2 -13.624 5.581 -11.002 22 HD2 LYS 2 1HD LYS 2 -14.898 4.406 -13.517 23 HD3 LYS 2 2HD LYS 2 -15.154 3.752 -11.892 24 HE2 LYS 2 1HE LYS 2 -15.935 6.034 -11.148 25 HE3 LYS 2 2HE LYS 2 -15.857 6.566 -12.833 26 HZ1 LYS 2 3HZ LYS 2 -18.094 5.819 -12.221 27 HZ2 LYS 2 1HZ LYS 2 -17.547 4.337 -11.821 28 HZ3 LYS 2 2HZ LYS 2 -17.493 4.835 -13.376 29 H LYS 3 H LYS 3 -9.560 5.440 -13.270 30 HA LYS 3 HA LYS 3 -9.024 7.197 -15.643 31 HB2 LYS 3 1HB LYS 3 -6.961 6.211 -13.626 32 HB3 LYS 3 2HB LYS 3 -6.561 6.659 -15.289 33 HG2 LYS 3 1HG LYS 3 -7.803 8.888 -14.795 34 HG3 LYS 3 2HG LYS 3 -7.637 8.447 -13.087 35 HD2 LYS 3 1HD LYS 3 -5.208 8.449 -13.265 36 HD3 LYS 3 2HD LYS 3 -5.287 8.552 -15.038 37 HE2 LYS 3 1HE LYS 3 -6.425 10.758 -14.859 38 HE3 LYS 3 2HE LYS 3 -6.243 10.701 -13.100 39 HZ1 LYS 3 3HZ LYS 3 -3.986 10.671 -15.042 40 HZ2 LYS 3 1HZ LYS 3 -3.829 10.683 -13.415 41 HZ3 LYS 3 2HZ LYS 3 -4.457 11.975 -14.187 42 H ASN 4 H ASN 4 -7.508 4.211 -14.482 43 HA ASN 4 HA ASN 4 -8.695 2.594 -16.633 44 HB2 ASN 4 1HB ASN 4 -6.072 3.827 -16.898 45 HB3 ASN 4 2HB ASN 4 -5.815 2.120 -16.618 46 HD21 ASN 4 2HD2 ASN 4 -5.139 1.543 -18.715 47 HD22 ASN 4 1HD2 ASN 4 -6.198 1.755 -20.104 48 H TRP 5 H TRP 5 -7.896 0.262 -16.392 49 HA TRP 5 HA TRP 5 -8.422 -0.881 -13.893 50 HB2 TRP 5 1HB TRP 5 -7.609 -2.921 -14.842 51 HB3 TRP 5 2HB TRP 5 -8.434 -2.027 -16.105 52 HD1 TRP 5 HD1 TRP 5 -6.886 -0.982 -18.072 53 HE1 TRP 5 HE1 TRP 5 -4.534 -1.581 -18.929 54 HE3 TRP 5 HE3 TRP 5 -5.282 -3.866 -14.144 55 HZ2 TRP 5 HZ2 TRP 5 -2.258 -3.083 -18.030 56 HZ3 TRP 5 HZ3 TRP 5 -3.014 -4.891 -14.188 57 HH2 TRP 5 HH2 TRP 5 -1.497 -4.504 -16.116 58 H PHE 6 H PHE 6 -5.384 0.508 -14.868 59 HA PHE 6 HA PHE 6 -3.621 -0.771 -13.040 60 HB2 PHE 6 1HB PHE 6 -3.275 0.933 -15.056 61 HB3 PHE 6 2HB PHE 6 -3.314 2.135 -13.781 62 HD1 PHE 6 HD1 PHE 6 -1.529 2.019 -11.939 63 HD2 PHE 6 HD2 PHE 6 -1.420 -0.508 -15.435 64 HE1 PHE 6 HE1 PHE 6 0.868 1.528 -11.514 65 HE2 PHE 6 HE2 PHE 6 0.979 -0.982 -15.016 66 HZ PHE 6 HZ PHE 6 2.128 0.031 -13.054 67 H ASP 7 H ASP 7 -6.181 1.562 -12.410 68 HA ASP 7 HA ASP 7 -5.189 2.586 -9.917 69 HB2 ASP 7 1HB ASP 7 -7.164 3.639 -9.682 70 HB3 ASP 7 2HB ASP 7 -7.160 3.422 -11.419 71 H ILE 8 H ILE 8 -6.596 -0.483 -10.740 72 HA ILE 8 HA ILE 8 -7.344 -1.336 -8.079 73 HB ILE 8 HB ILE 8 -6.563 -3.004 -10.501 74 HG12 ILE 8 1HG1 ILE 8 -8.447 -1.644 -11.154 75 HG13 ILE 8 2HG1 ILE 8 -8.991 -3.283 -10.893 76 HG21 ILE 8 1HG2 ILE 8 -8.031 -3.773 -7.955 77 HG22 ILE 8 2HG2 ILE 8 -7.951 -4.774 -9.423 78 HG23 ILE 8 3HG2 ILE 8 -6.473 -4.391 -8.538 79 HD11 ILE 8 3HD1 ILE 8 -9.428 -0.914 -9.024 80 HD12 ILE 8 1HD1 ILE 8 -10.636 -1.738 -10.021 81 HD13 ILE 8 2HD1 ILE 8 -9.910 -2.585 -8.647 82 H THR 9 H THR 9 -4.264 -1.641 -9.952 83 HA THR 9 HA THR 9 -2.969 -3.181 -7.862 84 HB THR 9 HB THR 9 -0.956 -3.016 -9.024 85 HG1 THR 9 HG1 THR 9 -0.608 -1.607 -10.707 86 HG21 THR 9 3HG2 THR 9 -1.475 -3.813 -11.234 87 HG22 THR 9 1HG2 THR 9 -3.061 -3.020 -11.226 88 HG23 THR 9 2HG2 THR 9 -2.745 -4.397 -10.143 89 H ASN 10 H ASN 10 -3.424 0.244 -8.363 90 HA ASN 10 HA ASN 10 -1.408 1.264 -6.662 91 HB2 ASN 10 1HB ASN 10 -3.009 2.514 -8.234 92 HB3 ASN 10 2HB ASN 10 -4.215 2.412 -6.948 93 HD21 ASN 10 2HD2 ASN 10 -0.992 3.693 -7.798 94 HD22 ASN 10 1HD2 ASN 10 -1.031 4.955 -6.572 95 H TRP 11 H TRP 11 -4.610 -0.054 -5.814 96 HA TRP 11 HA TRP 11 -4.470 0.463 -2.973 97 HB2 TRP 11 1HB TRP 11 -6.079 -1.488 -4.659 98 HB3 TRP 11 2HB TRP 11 -6.194 -1.425 -2.910 99 HD1 TRP 11 HD1 TRP 11 -7.487 0.283 -5.973 100 HE1 TRP 11 HE1 TRP 11 -9.082 2.196 -5.314 101 HE3 TRP 11 HE3 TRP 11 -6.482 0.489 -0.957 102 HZ2 TRP 11 HZ2 TRP 11 -9.824 3.624 -2.919 103 HZ3 TRP 11 HZ3 TRP 11 -7.646 2.142 0.496 104 HH2 TRP 11 HH2 TRP 11 -9.313 3.708 -0.471 105 H LEU 12 H LEU 12 -3.650 -2.429 -4.906 106 HA LEU 12 HA LEU 12 -2.720 -4.139 -2.820 107 HB2 LEU 12 1HB LEU 12 -2.138 -3.861 -5.767 108 HB3 LEU 12 2HB LEU 12 -1.163 -4.954 -4.815 109 HG LEU 12 HG LEU 12 -4.122 -5.227 -4.416 110 HD11 LEU 12 1HD1 LEU 12 -4.347 -6.617 -6.463 111 HD12 LEU 12 2HD1 LEU 12 -2.750 -6.047 -7.006 112 HD13 LEU 12 3HD1 LEU 12 -4.103 -4.903 -6.814 113 HD21 LEU 12 3HD2 LEU 12 -3.527 -7.608 -4.381 114 HD22 LEU 12 1HD2 LEU 12 -2.436 -6.702 -3.315 115 HD23 LEU 12 2HD2 LEU 12 -1.877 -7.232 -4.917 116 H TRP 13 H TRP 13 -0.919 -1.648 -4.645 117 HA TRP 13 HA TRP 13 1.592 -2.019 -3.416 118 HB2 TRP 13 1HB TRP 13 0.738 -0.409 -5.357 119 HB3 TRP 13 2HB TRP 13 0.653 0.768 -4.058 120 HD1 TRP 13 HD1 TRP 13 3.060 -1.462 -5.984 121 HE1 TRP 13 HE1 TRP 13 5.477 -0.572 -5.790 122 HE3 TRP 13 HE3 TRP 13 2.295 2.273 -2.550 123 HZ2 TRP 13 HZ2 TRP 13 6.879 1.463 -4.337 124 HZ3 TRP 13 HZ3 TRP 13 4.206 3.691 -1.800 125 HH2 TRP 13 HH2 TRP 13 6.490 3.287 -2.670 126 H TYR 14 H TYR 14 -1.196 -0.105 -2.232 127 HA TYR 14 HA TYR 14 0.171 0.984 0.066 128 HB2 TYR 14 1HB TYR 14 -2.037 1.749 -1.101 129 HB3 TYR 14 2HB TYR 14 -2.821 0.569 -0.061 130 HD1 TYR 14 HD1 TYR 14 -2.500 0.806 2.514 131 HD2 TYR 14 HD2 TYR 14 -1.343 3.868 -0.307 132 HE1 TYR 14 HE1 TYR 14 -2.383 2.477 4.360 133 HE2 TYR 14 HE2 TYR 14 -1.247 5.531 1.539 134 HH TYR 14 HH TYR 14 -1.489 5.897 3.780 135 H ILE 15 H ILE 15 -1.857 -1.912 -0.403 136 HA ILE 15 HA ILE 15 -2.003 -2.788 2.298 137 HB ILE 15 HB ILE 15 -1.951 -4.442 -0.253 138 HG12 ILE 15 1HG1 ILE 15 -4.404 -3.844 1.427 139 HG13 ILE 15 2HG1 ILE 15 -3.875 -2.650 0.262 140 HG21 ILE 15 1HG2 ILE 15 -2.735 -5.198 2.603 141 HG22 ILE 15 2HG2 ILE 15 -3.108 -6.186 1.177 142 HG23 ILE 15 3HG2 ILE 15 -1.429 -5.915 1.637 143 HD11 ILE 15 3HD1 ILE 15 -5.609 -4.606 -0.370 144 HD12 ILE 15 1HD1 ILE 15 -4.510 -3.866 -1.545 145 HD13 ILE 15 2HD1 ILE 15 -4.103 -5.433 -0.816 146 H LYS 16 H LYS 16 0.450 -3.716 -0.181 147 HA LYS 16 HA LYS 16 2.104 -5.142 1.756 148 HB2 LYS 16 1HB LYS 16 2.844 -4.099 -1.005 149 HB3 LYS 16 2HB LYS 16 3.818 -5.158 0.029 150 HG2 LYS 16 1HG LYS 16 1.624 -6.657 0.075 151 HG3 LYS 16 2HG LYS 16 1.210 -5.771 -1.390 152 HD2 LYS 16 1HD LYS 16 2.605 -7.073 -2.624 153 HD3 LYS 16 2HD LYS 16 3.967 -6.652 -1.595 154 HE2 LYS 16 1HE LYS 16 3.886 -8.968 -1.391 155 HE3 LYS 16 2HE LYS 16 3.107 -8.392 0.082 156 HZ1 LYS 16 3HZ LYS 16 1.716 -9.398 -2.348 157 HZ2 LYS 16 1HZ LYS 16 0.939 -8.806 -1.036 158 HZ3 LYS 16 2HZ LYS 16 1.821 -10.173 -0.920 159 H LEU 17 H LEU 17 2.210 -1.807 0.546 160 HA LEU 17 HA LEU 17 4.590 -0.951 1.819 161 HB2 LEU 17 1HB LEU 17 3.392 0.366 0.134 162 HB3 LEU 17 2HB LEU 17 2.007 0.521 1.216 163 HG LEU 17 HG LEU 17 3.479 1.803 2.807 164 HD11 LEU 17 1HD1 LEU 17 5.522 2.841 1.890 165 HD12 LEU 17 2HD1 LEU 17 5.360 1.868 0.410 166 HD13 LEU 17 3HD1 LEU 17 5.695 1.083 1.971 167 HD21 LEU 17 3HD2 LEU 17 3.358 3.887 1.490 168 HD22 LEU 17 1HD2 LEU 17 1.878 2.922 1.389 169 HD23 LEU 17 2HD2 LEU 17 3.021 2.922 0.033 170 H PHE 18 H PHE 18 1.259 -1.139 3.181 171 HA PHE 18 HA PHE 18 1.776 0.011 5.697 172 HB2 PHE 18 1HB PHE 18 -0.455 -0.649 4.801 173 HB3 PHE 18 2HB PHE 18 -0.065 -2.337 5.098 174 HD1 PHE 18 HD2 PHE 18 -0.609 0.975 6.738 175 HD2 PHE 18 HD1 PHE 18 -0.262 -3.288 7.322 176 HE1 PHE 18 HE2 PHE 18 -1.437 1.223 9.067 177 HE2 PHE 18 HE1 PHE 18 -1.082 -3.029 9.655 178 HZ PHE 18 HZ PHE 18 -1.690 -0.779 10.521 179 H ILE 19 H ILE 19 2.312 -3.386 4.710 180 HA ILE 19 HA ILE 19 3.241 -4.346 7.244 181 HB ILE 19 HB ILE 19 4.082 -5.374 4.505 182 HG12 ILE 19 1HG1 ILE 19 1.675 -6.206 6.197 183 HG13 ILE 19 2HG1 ILE 19 1.592 -5.256 4.716 184 HG21 ILE 19 1HG2 ILE 19 3.991 -6.702 7.257 185 HG22 ILE 19 2HG2 ILE 19 4.420 -7.520 5.742 186 HG23 ILE 19 3HG2 ILE 19 5.456 -6.252 6.360 187 HD11 ILE 19 3HD1 ILE 19 2.686 -7.176 3.483 188 HD12 ILE 19 1HD1 ILE 19 2.406 -8.157 4.944 189 HD13 ILE 19 2HD1 ILE 19 1.037 -7.449 4.078 190 H MET 20 H MET 20 5.017 -2.847 4.527 191 HA MET 20 HA MET 20 7.649 -3.016 5.703 192 HB2 MET 20 1HB MET 20 6.434 -1.211 3.587 193 HB3 MET 20 2HB MET 20 8.103 -1.041 4.110 194 HG2 MET 20 1HG MET 20 7.102 -3.762 3.271 195 HG3 MET 20 2HG MET 20 7.449 -2.559 2.037 196 HE1 MET 20 3HE MET 20 9.691 -1.854 1.189 197 HE2 MET 20 1HE MET 20 9.959 -0.974 2.710 198 HE3 MET 20 2HE MET 20 11.225 -2.038 2.063 199 H ILE 21 H ILE 21 5.204 -0.373 5.810 200 HA ILE 21 HA ILE 21 6.785 1.424 7.400 201 HB ILE 21 HB ILE 21 3.767 1.186 7.067 202 HG12 ILE 21 1HG1 ILE 21 5.621 3.295 5.878 203 HG13 ILE 21 2HG1 ILE 21 5.255 1.802 5.025 204 HG21 ILE 21 1HG2 ILE 21 4.115 2.353 9.133 205 HG22 ILE 21 2HG2 ILE 21 5.471 3.297 8.463 206 HG23 ILE 21 3HG2 ILE 21 3.804 3.608 7.951 207 HD11 ILE 21 3HD1 ILE 21 3.172 3.858 5.887 208 HD12 ILE 21 1HD1 ILE 21 3.777 3.580 4.256 209 HD13 ILE 21 2HD1 ILE 21 2.835 2.315 5.076 210 H VAL 22 H VAL 22 4.133 -0.802 8.439 211 HA VAL 22 HA VAL 22 4.530 -0.332 11.257 212 HB VAL 22 HB VAL 22 3.253 -2.714 9.882 213 HG11 VAL 22 1HG1 VAL 22 3.088 -1.763 12.778 214 HG12 VAL 22 2HG1 VAL 22 2.024 -2.986 12.047 215 HG13 VAL 22 3HG1 VAL 22 3.749 -3.311 12.196 216 HG21 VAL 22 3HG2 VAL 22 2.145 -0.090 11.040 217 HG22 VAL 22 1HG2 VAL 22 2.062 -0.606 9.347 218 HG23 VAL 22 2HG2 VAL 22 1.134 -1.466 10.574 219 H GLY 23 H GLY 23 6.013 -2.697 9.025 220 HA2 GLY 23 1HA GLY 23 7.270 -4.346 10.854 221 HA3 GLY 23 2HA GLY 23 7.931 -3.936 9.266 222 H GLY 24 H GLY 24 8.115 -1.026 10.119 223 HA2 GLY 24 1HA GLY 24 10.593 -1.140 11.814 224 HA3 GLY 24 2HA GLY 24 10.230 0.090 10.612 225 H LEU 25 H LEU 25 7.345 0.257 11.697 226 HA LEU 25 HA LEU 25 7.901 2.111 13.935 227 HB2 LEU 25 1HB LEU 25 5.384 1.473 12.358 228 HB3 LEU 25 2HB LEU 25 5.421 2.575 13.727 229 HG LEU 25 HG LEU 25 6.905 2.954 11.094 230 HD11 LEU 25 1HD1 LEU 25 4.688 4.578 12.414 231 HD12 LEU 25 2HD1 LEU 25 4.417 3.369 11.148 232 HD13 LEU 25 3HD1 LEU 25 5.381 4.813 10.792 233 HD21 LEU 25 3HD2 LEU 25 8.320 3.929 12.784 234 HD22 LEU 25 1HD2 LEU 25 6.925 4.618 13.647 235 HD23 LEU 25 2HD2 LEU 25 7.407 5.252 12.057 236 H VAL 26 H VAL 26 6.506 -1.116 13.627 237 HA VAL 26 HA VAL 26 5.019 -1.203 16.018 238 HB VAL 26 HB VAL 26 4.998 -2.874 14.191 239 HG11 VAL 26 1HG1 VAL 26 7.470 -3.267 13.976 240 HG12 VAL 26 2HG1 VAL 26 7.423 -4.148 15.519 241 HG13 VAL 26 3HG1 VAL 26 6.510 -4.743 14.121 242 HG21 VAL 26 3HG2 VAL 26 3.883 -3.303 16.334 243 HG22 VAL 26 1HG2 VAL 26 4.443 -4.778 15.532 244 HG23 VAL 26 2HG2 VAL 26 5.344 -4.136 16.920 245 H LYS 27 H LYS 27 8.452 -1.468 15.597 246 HA LYS 27 HA LYS 27 9.026 -2.232 18.386 247 HB2 LYS 27 1HB LYS 27 11.281 -2.408 17.690 248 HB3 LYS 27 2HB LYS 27 10.296 -3.054 16.388 249 HG2 LYS 27 1HG LYS 27 11.476 -1.730 14.992 250 HG3 LYS 27 2HG LYS 27 10.518 -0.403 15.626 251 HD2 LYS 27 1HD LYS 27 12.695 0.362 15.712 252 HD3 LYS 27 2HD LYS 27 12.357 -0.042 17.386 253 HE2 LYS 27 1HE LYS 27 13.685 -2.070 15.546 254 HE3 LYS 27 2HE LYS 27 14.626 -0.706 16.144 255 HZ1 LYS 27 3HZ LYS 27 14.875 -2.596 17.605 256 HZ2 LYS 27 1HZ LYS 27 13.274 -2.691 17.889 257 HZ3 LYS 27 2HZ LYS 27 14.131 -1.397 18.416 258 H LYS 28 H LYS 28 8.431 0.750 16.859 259 HA LYS 28 HA LYS 28 9.490 2.252 19.154 260 HB2 LYS 28 1HB LYS 28 10.552 3.967 17.807 261 HB3 LYS 28 2HB LYS 28 11.368 2.423 17.747 262 HG2 LYS 28 1HG LYS 28 11.156 2.206 15.519 263 HG3 LYS 28 2HG LYS 28 9.481 2.765 15.485 264 HD2 LYS 28 1HD LYS 28 10.155 5.081 15.540 265 HD3 LYS 28 2HD LYS 28 11.833 4.657 15.894 266 HE2 LYS 28 1HE LYS 28 11.055 3.277 13.485 267 HE3 LYS 28 2HE LYS 28 10.505 4.948 13.334 268 HZ1 LYS 28 3HZ LYS 28 12.776 5.682 13.825 269 HZ2 LYS 28 1HZ LYS 28 12.790 4.688 12.533 270 HZ3 LYS 28 2HZ LYS 28 13.291 4.139 13.985 Start of MODEL 17 1 H1 LYS 1 1H LYS 1 -14.589 10.246 -10.245 2 H2 LYS 1 2H LYS 1 -13.346 9.305 -10.721 3 H3 LYS 1 3H LYS 1 -14.025 10.362 -11.772 4 HA LYS 1 HA LYS 1 -15.505 8.147 -10.533 5 HB2 LYS 1 1HB LYS 1 -16.485 10.362 -11.881 6 HB3 LYS 1 2HB LYS 1 -16.488 9.155 -13.150 7 HG2 LYS 1 1HG LYS 1 -17.537 8.101 -10.585 8 HG3 LYS 1 2HG LYS 1 -18.384 9.553 -11.099 9 HD2 LYS 1 1HD LYS 1 -18.940 8.506 -13.271 10 HD3 LYS 1 2HD LYS 1 -18.013 7.062 -12.807 11 HE2 LYS 1 1HE LYS 1 -19.627 7.337 -10.614 12 HE3 LYS 1 2HE LYS 1 -20.691 8.046 -11.826 13 HZ1 LYS 1 3HZ LYS 1 -19.417 5.429 -12.350 14 HZ2 LYS 1 1HZ LYS 1 -20.833 6.005 -12.935 15 HZ3 LYS 1 2HZ LYS 1 -20.729 5.495 -11.387 16 H LYS 2 H LYS 2 -14.210 8.853 -13.831 17 HA LYS 2 HA LYS 2 -13.883 6.050 -14.497 18 HB2 LYS 2 1HB LYS 2 -14.394 7.885 -16.123 19 HB3 LYS 2 2HB LYS 2 -12.818 8.595 -15.803 20 HG2 LYS 2 1HG LYS 2 -12.593 7.439 -17.848 21 HG3 LYS 2 2HG LYS 2 -11.747 6.470 -16.666 22 HD2 LYS 2 1HD LYS 2 -12.903 4.709 -17.416 23 HD3 LYS 2 2HD LYS 2 -14.338 5.354 -16.634 24 HE2 LYS 2 1HE LYS 2 -13.452 5.932 -19.503 25 HE3 LYS 2 2HE LYS 2 -14.650 4.725 -19.034 26 HZ1 LYS 2 3HZ LYS 2 -15.744 6.745 -19.718 27 HZ2 LYS 2 1HZ LYS 2 -14.934 7.656 -18.639 28 HZ3 LYS 2 2HZ LYS 2 -16.022 6.539 -18.127 29 H LYS 3 H LYS 3 -12.341 4.764 -13.787 30 HA LYS 3 HA LYS 3 -9.483 5.596 -13.709 31 HB2 LYS 3 1HB LYS 3 -10.878 4.110 -11.429 32 HB3 LYS 3 2HB LYS 3 -9.142 4.139 -11.682 33 HG2 LYS 3 1HG LYS 3 -9.179 5.855 -10.228 34 HG3 LYS 3 2HG LYS 3 -9.493 6.792 -11.681 35 HD2 LYS 3 1HD LYS 3 -11.089 7.563 -10.118 36 HD3 LYS 3 2HD LYS 3 -12.000 6.448 -11.146 37 HE2 LYS 3 1HE LYS 3 -11.491 4.633 -9.392 38 HE3 LYS 3 2HE LYS 3 -10.869 5.927 -8.364 39 HZ1 LYS 3 3HZ LYS 3 -13.081 6.958 -8.445 40 HZ2 LYS 3 1HZ LYS 3 -13.197 5.439 -7.879 41 HZ3 LYS 3 2HZ LYS 3 -13.647 5.754 -9.415 42 H ASN 4 H ASN 4 -8.075 4.028 -14.367 43 HA ASN 4 HA ASN 4 -9.181 1.759 -15.864 44 HB2 ASN 4 1HB ASN 4 -7.220 3.304 -16.534 45 HB3 ASN 4 2HB ASN 4 -6.258 2.442 -15.336 46 HD21 ASN 4 2HD2 ASN 4 -7.230 2.456 -18.608 47 HD22 ASN 4 1HD2 ASN 4 -6.725 0.804 -18.949 48 H TRP 5 H TRP 5 -8.778 -0.467 -15.422 49 HA TRP 5 HA TRP 5 -8.706 -1.320 -12.680 50 HB2 TRP 5 1HB TRP 5 -8.673 -3.541 -13.559 51 HB3 TRP 5 2HB TRP 5 -9.769 -2.580 -14.535 52 HD1 TRP 5 HD1 TRP 5 -9.015 -2.065 -17.072 53 HE1 TRP 5 HE1 TRP 5 -7.334 -3.197 -18.655 54 HE3 TRP 5 HE3 TRP 5 -6.410 -4.862 -13.650 55 HZ2 TRP 5 HZ2 TRP 5 -5.163 -5.071 -18.472 56 HZ3 TRP 5 HZ3 TRP 5 -4.549 -6.337 -14.396 57 HH2 TRP 5 HH2 TRP 5 -3.918 -6.448 -16.795 58 H PHE 6 H PHE 6 -6.116 -0.808 -15.037 59 HA PHE 6 HA PHE 6 -4.089 -2.261 -13.616 60 HB2 PHE 6 1HB PHE 6 -4.217 -1.465 -16.089 61 HB3 PHE 6 2HB PHE 6 -3.553 0.051 -15.494 62 HD1 PHE 6 HD1 PHE 6 -3.021 -3.661 -15.529 63 HD2 PHE 6 HD2 PHE 6 -1.152 0.215 -15.241 64 HE1 PHE 6 HE1 PHE 6 -0.785 -4.731 -15.679 65 HE2 PHE 6 HE2 PHE 6 1.085 -0.858 -15.402 66 HZ PHE 6 HZ PHE 6 1.272 -3.329 -15.620 67 H ASP 7 H ASP 7 -5.277 1.064 -13.250 68 HA ASP 7 HA ASP 7 -3.069 2.046 -11.639 69 HB2 ASP 7 1HB ASP 7 -5.965 2.937 -11.931 70 HB3 ASP 7 2HB ASP 7 -4.834 3.723 -10.843 71 H ILE 8 H ILE 8 -5.751 -0.061 -10.889 72 HA ILE 8 HA ILE 8 -5.809 0.291 -8.040 73 HB ILE 8 HB ILE 8 -6.427 -2.227 -9.622 74 HG12 ILE 8 1HG1 ILE 8 -7.755 -0.417 -10.577 75 HG13 ILE 8 2HG1 ILE 8 -8.770 -1.522 -9.681 76 HG21 ILE 8 1HG2 ILE 8 -7.296 -1.345 -6.844 77 HG22 ILE 8 2HG2 ILE 8 -8.018 -2.701 -7.742 78 HG23 ILE 8 3HG2 ILE 8 -6.318 -2.758 -7.283 79 HD11 ILE 8 3HD1 ILE 8 -8.901 0.099 -7.801 80 HD12 ILE 8 1HD1 ILE 8 -7.841 1.216 -8.697 81 HD13 ILE 8 2HD1 ILE 8 -9.445 0.809 -9.329 82 H THR 9 H THR 9 -3.553 -1.429 -10.128 83 HA THR 9 HA THR 9 -2.342 -3.077 -8.103 84 HB THR 9 HB THR 9 -0.494 -3.405 -9.557 85 HG1 THR 9 HG1 THR 9 -1.538 -1.430 -11.300 86 HG21 THR 9 3HG2 THR 9 -1.546 -4.306 -11.506 87 HG22 THR 9 1HG2 THR 9 -2.926 -3.200 -11.379 88 HG23 THR 9 2HG2 THR 9 -2.700 -4.480 -10.170 89 H ASN 10 H ASN 10 -1.804 0.315 -8.986 90 HA ASN 10 HA ASN 10 0.567 0.724 -7.376 91 HB2 ASN 10 1HB ASN 10 0.063 2.187 -9.232 92 HB3 ASN 10 2HB ASN 10 -1.537 2.560 -8.601 93 HD21 ASN 10 2HD2 ASN 10 -1.795 4.215 -7.167 94 HD22 ASN 10 1HD2 ASN 10 -0.442 5.172 -6.565 95 H TRP 11 H TRP 11 -2.933 1.117 -6.785 96 HA TRP 11 HA TRP 11 -2.758 2.156 -4.107 97 HB2 TRP 11 1HB TRP 11 -4.921 0.739 -5.683 98 HB3 TRP 11 2HB TRP 11 -5.118 1.071 -3.973 99 HD1 TRP 11 HD1 TRP 11 -4.783 2.924 -7.307 100 HE1 TRP 11 HE1 TRP 11 -5.643 5.330 -7.019 101 HE3 TRP 11 HE3 TRP 11 -5.538 2.906 -2.243 102 HZ2 TRP 11 HZ2 TRP 11 -6.593 7.011 -4.868 103 HZ3 TRP 11 HZ3 TRP 11 -6.433 4.925 -1.095 104 HH2 TRP 11 HH2 TRP 11 -6.966 6.974 -2.394 105 H LEU 12 H LEU 12 -2.951 -1.219 -5.286 106 HA LEU 12 HA LEU 12 -3.068 -2.483 -2.760 107 HB2 LEU 12 1HB LEU 12 -2.804 -3.293 -5.451 108 HB3 LEU 12 2HB LEU 12 -1.371 -3.949 -4.676 109 HG LEU 12 HG LEU 12 -4.243 -4.351 -3.715 110 HD11 LEU 12 1HD1 LEU 12 -4.016 -6.630 -4.584 111 HD12 LEU 12 2HD1 LEU 12 -2.373 -6.272 -5.165 112 HD13 LEU 12 3HD1 LEU 12 -3.778 -5.452 -5.885 113 HD21 LEU 12 3HD2 LEU 12 -1.653 -5.703 -2.825 114 HD22 LEU 12 1HD2 LEU 12 -3.294 -6.148 -2.302 115 HD23 LEU 12 2HD2 LEU 12 -2.626 -4.577 -1.854 116 H TRP 13 H TRP 13 -0.182 -1.485 -4.593 117 HA TRP 13 HA TRP 13 1.775 -2.376 -2.747 118 HB2 TRP 13 1HB TRP 13 1.809 -1.250 -5.247 119 HB3 TRP 13 2HB TRP 13 2.402 0.091 -4.289 120 HD1 TRP 13 HD1 TRP 13 3.094 -3.691 -4.715 121 HE1 TRP 13 HE1 TRP 13 5.632 -4.128 -4.613 122 HE3 TRP 13 HE3 TRP 13 4.719 1.089 -3.816 123 HZ2 TRP 13 HZ2 TRP 13 8.033 -2.616 -4.186 124 HZ3 TRP 13 HZ3 TRP 13 7.153 1.560 -3.576 125 HH2 TRP 13 HH2 TRP 13 8.812 -0.279 -3.753 126 H TYR 14 H TYR 14 -0.054 0.660 -2.756 127 HA TYR 14 HA TYR 14 1.396 2.074 -0.753 128 HB2 TYR 14 1HB TYR 14 -0.482 2.859 -2.331 129 HB3 TYR 14 2HB TYR 14 -1.609 2.196 -1.160 130 HD1 TYR 14 HD2 TYR 14 0.919 4.809 -1.819 131 HD2 TYR 14 HD1 TYR 14 -1.997 3.319 0.995 132 HE1 TYR 14 HE2 TYR 14 0.993 6.976 -0.599 133 HE2 TYR 14 HE1 TYR 14 -1.918 5.495 2.217 134 HH TYR 14 HH TYR 14 0.151 8.211 1.131 135 H ILE 15 H ILE 15 -1.243 -0.292 -0.432 136 HA ILE 15 HA ILE 15 -1.409 -0.180 2.473 137 HB ILE 15 HB ILE 15 -2.350 -2.296 0.508 138 HG12 ILE 15 1HG1 ILE 15 -4.258 -0.428 1.916 139 HG13 ILE 15 2HG1 ILE 15 -3.324 0.268 0.607 140 HG21 ILE 15 1HG2 ILE 15 -3.028 -1.886 3.457 141 HG22 ILE 15 2HG2 ILE 15 -3.902 -2.978 2.365 142 HG23 ILE 15 3HG2 ILE 15 -2.207 -3.288 2.739 143 HD11 ILE 15 3HD1 ILE 15 -5.455 -0.566 -0.228 144 HD12 ILE 15 1HD1 ILE 15 -4.105 -1.453 -0.956 145 HD13 ILE 15 2HD1 ILE 15 -5.069 -2.207 0.335 146 H LYS 16 H LYS 16 0.228 -2.403 0.178 147 HA LYS 16 HA LYS 16 1.484 -4.112 2.114 148 HB2 LYS 16 1HB LYS 16 2.466 -3.262 -0.642 149 HB3 LYS 16 2HB LYS 16 3.186 -4.544 0.317 150 HG2 LYS 16 1HG LYS 16 0.324 -4.552 -0.735 151 HG3 LYS 16 2HG LYS 16 1.698 -5.395 -1.445 152 HD2 LYS 16 1HD LYS 16 1.934 -6.684 0.736 153 HD3 LYS 16 2HD LYS 16 0.406 -5.935 1.259 154 HE2 LYS 16 1HE LYS 16 -0.657 -6.837 -0.866 155 HE3 LYS 16 2HE LYS 16 0.847 -7.710 -1.183 156 HZ1 LYS 16 3HZ LYS 16 0.518 -8.875 0.954 157 HZ2 LYS 16 1HZ LYS 16 -0.742 -9.133 -0.050 158 HZ3 LYS 16 2HZ LYS 16 -0.899 -8.091 1.194 159 H LEU 17 H LEU 17 2.646 -1.028 0.792 160 HA LEU 17 HA LEU 17 5.108 -0.894 2.218 161 HB2 LEU 17 1HB LEU 17 3.211 1.210 1.141 162 HB3 LEU 17 2HB LEU 17 4.655 1.678 2.024 163 HG LEU 17 HG LEU 17 4.781 -0.107 -0.444 164 HD11 LEU 17 1HD1 LEU 17 5.450 2.003 -1.623 165 HD12 LEU 17 2HD1 LEU 17 4.989 2.926 -0.181 166 HD13 LEU 17 3HD1 LEU 17 3.763 2.010 -1.090 167 HD21 LEU 17 3HD2 LEU 17 7.120 0.678 -0.512 168 HD22 LEU 17 1HD2 LEU 17 6.792 -0.162 1.006 169 HD23 LEU 17 2HD2 LEU 17 6.864 1.614 0.978 170 H PHE 18 H PHE 18 1.872 0.324 3.271 171 HA PHE 18 HA PHE 18 2.696 1.341 5.783 172 HB2 PHE 18 1HB PHE 18 0.472 1.691 4.753 173 HB3 PHE 18 2HB PHE 18 0.051 0.017 5.086 174 HD1 PHE 18 HD1 PHE 18 0.612 3.359 6.565 175 HD2 PHE 18 HD2 PHE 18 -0.434 -0.746 7.391 176 HE1 PHE 18 HE1 PHE 18 -0.219 4.019 8.811 177 HE2 PHE 18 HE2 PHE 18 -1.259 -0.080 9.636 178 HZ PHE 18 HZ PHE 18 -1.163 2.303 10.345 179 H ILE 19 H ILE 19 1.695 -1.993 4.976 180 HA ILE 19 HA ILE 19 1.993 -3.123 7.589 181 HB ILE 19 HB ILE 19 2.342 -4.449 4.874 182 HG12 ILE 19 1HG1 ILE 19 -0.058 -4.718 6.719 183 HG13 ILE 19 2HG1 ILE 19 0.027 -3.372 5.593 184 HG21 ILE 19 1HG2 ILE 19 3.421 -5.849 6.566 185 HG22 ILE 19 2HG2 ILE 19 2.037 -5.658 7.665 186 HG23 ILE 19 3HG2 ILE 19 1.878 -6.586 6.164 187 HD11 ILE 19 3HD1 ILE 19 -1.253 -5.328 4.718 188 HD12 ILE 19 1HD1 ILE 19 0.081 -4.810 3.677 189 HD13 ILE 19 2HD1 ILE 19 0.249 -6.267 4.676 190 H MET 20 H MET 20 4.425 -2.703 4.982 191 HA MET 20 HA MET 20 6.600 -3.965 6.397 192 HB2 MET 20 1HB MET 20 6.721 -1.790 4.271 193 HB3 MET 20 2HB MET 20 8.060 -2.795 4.799 194 HG2 MET 20 1HG MET 20 5.752 -4.415 3.937 195 HG3 MET 20 2HG MET 20 6.282 -3.284 2.703 196 HE1 MET 20 3HE MET 20 8.022 -3.844 1.001 197 HE2 MET 20 1HE MET 20 8.490 -5.553 0.865 198 HE3 MET 20 2HE MET 20 6.774 -5.112 1.026 199 H ILE 21 H ILE 21 5.660 -0.520 6.127 200 HA ILE 21 HA ILE 21 7.800 0.574 7.679 201 HB ILE 21 HB ILE 21 4.988 1.601 7.121 202 HG12 ILE 21 1HG1 ILE 21 7.602 2.559 5.871 203 HG13 ILE 21 2HG1 ILE 21 6.681 1.244 5.170 204 HG21 ILE 21 1HG2 ILE 21 5.895 3.863 7.741 205 HG22 ILE 21 2HG2 ILE 21 5.813 2.764 9.103 206 HG23 ILE 21 3HG2 ILE 21 7.380 3.077 8.315 207 HD11 ILE 21 3HD1 ILE 21 5.727 4.107 5.511 208 HD12 ILE 21 1HD1 ILE 21 6.036 3.224 4.009 209 HD13 ILE 21 2HD1 ILE 21 4.665 2.762 5.033 210 H VAL 22 H VAL 22 4.404 -0.137 8.693 211 HA VAL 22 HA VAL 22 4.961 0.366 11.499 212 HB VAL 22 HB VAL 22 2.667 -1.175 10.232 213 HG11 VAL 22 1HG1 VAL 22 1.456 -0.588 12.353 214 HG12 VAL 22 2HG1 VAL 22 2.778 -1.725 12.602 215 HG13 VAL 22 3HG1 VAL 22 2.993 -0.013 13.036 216 HG21 VAL 22 3HG2 VAL 22 2.734 1.187 9.463 217 HG22 VAL 22 1HG2 VAL 22 1.433 0.996 10.639 218 HG23 VAL 22 2HG2 VAL 22 2.961 1.746 11.133 219 H GLY 23 H GLY 23 5.056 -2.615 9.512 220 HA2 GLY 23 1HA GLY 23 5.276 -4.502 11.531 221 HA3 GLY 23 2HA GLY 23 6.047 -4.636 9.946 222 H GLY 24 H GLY 24 7.702 -2.177 10.560 223 HA2 GLY 24 1HA GLY 24 9.791 -3.396 12.339 224 HA3 GLY 24 2HA GLY 24 10.085 -2.221 11.065 225 H LEU 25 H LEU 25 7.751 -0.500 11.986 226 HA LEU 25 HA LEU 25 9.155 0.919 14.167 227 HB2 LEU 25 1HB LEU 25 6.709 1.622 12.508 228 HB3 LEU 25 2HB LEU 25 7.383 2.653 13.764 229 HG LEU 25 HG LEU 25 8.807 1.842 11.196 230 HD11 LEU 25 1HD1 LEU 25 7.780 4.545 12.159 231 HD12 LEU 25 2HD1 LEU 25 6.943 3.505 10.992 232 HD13 LEU 25 3HD1 LEU 25 8.531 4.179 10.588 233 HD21 LEU 25 3HD2 LEU 25 10.501 2.137 12.920 234 HD22 LEU 25 1HD2 LEU 25 9.719 3.631 13.491 235 HD23 LEU 25 2HD2 LEU 25 10.490 3.568 11.890 236 H VAL 26 H VAL 26 6.382 -1.212 14.016 237 HA VAL 26 HA VAL 26 5.003 -0.259 16.315 238 HB VAL 26 HB VAL 26 4.101 -1.817 14.634 239 HG11 VAL 26 1HG1 VAL 26 6.017 -3.443 14.504 240 HG12 VAL 26 2HG1 VAL 26 5.542 -4.062 16.102 241 HG13 VAL 26 3HG1 VAL 26 4.435 -4.196 14.725 242 HG21 VAL 26 3HG2 VAL 26 2.657 -3.035 16.084 243 HG22 VAL 26 1HG2 VAL 26 3.797 -2.902 17.441 244 HG23 VAL 26 2HG2 VAL 26 2.988 -1.450 16.801 245 H LYS 27 H LYS 27 7.739 -2.412 16.067 246 HA LYS 27 HA LYS 27 7.813 -3.109 18.916 247 HB2 LYS 27 1HB LYS 27 9.660 -4.510 18.342 248 HB3 LYS 27 2HB LYS 27 8.445 -4.647 17.082 249 HG2 LYS 27 1HG LYS 27 10.199 -4.406 15.665 250 HG3 LYS 27 2HG LYS 27 9.964 -2.698 15.962 251 HD2 LYS 27 1HD LYS 27 12.252 -2.876 16.335 252 HD3 LYS 27 2HD LYS 27 11.642 -3.061 17.973 253 HE2 LYS 27 1HE LYS 27 13.172 -4.810 17.822 254 HE3 LYS 27 2HE LYS 27 11.636 -5.619 17.498 255 HZ1 LYS 27 3HZ LYS 27 12.175 -5.385 15.083 256 HZ2 LYS 27 1HZ LYS 27 13.286 -6.283 15.870 257 HZ3 LYS 27 2HZ LYS 27 13.627 -4.742 15.466 258 H LYS 28 H LYS 28 9.263 -0.709 16.969 259 HA LYS 28 HA LYS 28 10.720 0.984 17.130 260 HB2 LYS 28 1HB LYS 28 9.911 1.053 20.051 261 HB3 LYS 28 2HB LYS 28 10.788 2.324 19.183 262 HG2 LYS 28 1HG LYS 28 8.897 2.460 17.543 263 HG3 LYS 28 2HG LYS 28 8.003 1.292 18.521 264 HD2 LYS 28 1HD LYS 28 7.122 2.954 19.661 265 HD3 LYS 28 2HD LYS 28 8.706 3.317 20.359 266 HE2 LYS 28 1HE LYS 28 9.183 4.959 18.671 267 HE3 LYS 28 2HE LYS 28 7.880 4.378 17.629 268 HZ1 LYS 28 3HZ LYS 28 7.255 6.424 18.782 269 HZ2 LYS 28 1HZ LYS 28 7.441 5.715 20.242 270 HZ3 LYS 28 2HZ LYS 28 6.269 5.204 19.223 Start of MODEL 18 1 H1 LYS 1 1H LYS 1 -12.382 7.569 -9.363 2 H2 LYS 1 2H LYS 1 -13.525 8.684 -9.732 3 H3 LYS 1 3H LYS 1 -13.928 7.102 -9.617 4 HA LYS 1 HA LYS 1 -13.841 7.684 -11.921 5 HB2 LYS 1 1HB LYS 1 -11.477 9.169 -11.025 6 HB3 LYS 1 2HB LYS 1 -11.077 8.165 -12.408 7 HG2 LYS 1 1HG LYS 1 -12.494 9.277 -13.853 8 HG3 LYS 1 2HG LYS 1 -13.652 9.705 -12.586 9 HD2 LYS 1 1HD LYS 1 -12.147 11.400 -11.688 10 HD3 LYS 1 2HD LYS 1 -10.920 11.021 -12.912 11 HE2 LYS 1 1HE LYS 1 -12.206 11.898 -14.677 12 HE3 LYS 1 2HE LYS 1 -13.729 11.691 -13.808 13 HZ1 LYS 1 3HZ LYS 1 -11.677 13.720 -13.101 14 HZ2 LYS 1 1HZ LYS 1 -13.117 13.519 -12.353 15 HZ3 LYS 1 2HZ LYS 1 -13.069 14.027 -13.899 16 H LYS 2 H LYS 2 -13.138 6.257 -13.537 17 HA LYS 2 HA LYS 2 -11.337 3.996 -12.813 18 HB2 LYS 2 1HB LYS 2 -14.254 3.770 -13.635 19 HB3 LYS 2 2HB LYS 2 -13.087 2.519 -14.078 20 HG2 LYS 2 1HG LYS 2 -12.420 2.299 -11.687 21 HG3 LYS 2 2HG LYS 2 -13.712 3.414 -11.232 22 HD2 LYS 2 1HD LYS 2 -14.210 0.828 -12.776 23 HD3 LYS 2 2HD LYS 2 -14.151 0.901 -11.011 24 HE2 LYS 2 1HE LYS 2 -15.973 2.601 -11.019 25 HE3 LYS 2 2HE LYS 2 -16.095 2.450 -12.778 26 HZ1 LYS 2 3HZ LYS 2 -17.716 1.037 -11.614 27 HZ2 LYS 2 1HZ LYS 2 -16.527 0.224 -10.850 28 HZ3 LYS 2 2HZ LYS 2 -16.684 0.108 -12.472 29 H LYS 3 H LYS 3 -9.854 3.879 -14.241 30 HA LYS 3 HA LYS 3 -10.389 4.369 -17.164 31 HB2 LYS 3 1HB LYS 3 -7.849 5.084 -15.644 32 HB3 LYS 3 2HB LYS 3 -8.034 5.096 -17.392 33 HG2 LYS 3 1HG LYS 3 -8.741 7.196 -17.297 34 HG3 LYS 3 2HG LYS 3 -10.212 6.656 -16.492 35 HD2 LYS 3 1HD LYS 3 -9.024 6.898 -14.275 36 HD3 LYS 3 2HD LYS 3 -7.599 7.484 -15.159 37 HE2 LYS 3 1HE LYS 3 -9.433 9.151 -16.223 38 HE3 LYS 3 2HE LYS 3 -10.273 8.812 -14.710 39 HZ1 LYS 3 3HZ LYS 3 -8.226 9.560 -13.537 40 HZ2 LYS 3 1HZ LYS 3 -8.811 10.749 -14.500 41 HZ3 LYS 3 2HZ LYS 3 -7.512 9.893 -14.966 42 H ASN 4 H ASN 4 -7.813 2.900 -15.176 43 HA ASN 4 HA ASN 4 -8.199 0.284 -16.536 44 HB2 ASN 4 1HB ASN 4 -5.604 1.895 -16.391 45 HB3 ASN 4 2HB ASN 4 -5.629 0.163 -16.695 46 HD21 ASN 4 2HD2 ASN 4 -6.646 -0.646 -18.698 47 HD22 ASN 4 1HD2 ASN 4 -6.777 0.476 -20.042 48 H TRP 5 H TRP 5 -7.415 -1.498 -15.375 49 HA TRP 5 HA TRP 5 -7.610 -1.490 -12.562 50 HB2 TRP 5 1HB TRP 5 -6.925 -3.756 -12.658 51 HB3 TRP 5 2HB TRP 5 -7.900 -3.455 -14.083 52 HD1 TRP 5 HD1 TRP 5 -6.483 -3.219 -16.460 53 HE1 TRP 5 HE1 TRP 5 -4.291 -4.332 -17.214 54 HE3 TRP 5 HE3 TRP 5 -4.693 -4.714 -11.889 55 HZ2 TRP 5 HZ2 TRP 5 -2.098 -5.741 -16.017 56 HZ3 TRP 5 HZ3 TRP 5 -2.551 -5.972 -11.736 57 HH2 TRP 5 HH2 TRP 5 -1.249 -6.488 -13.787 58 H PHE 6 H PHE 6 -4.761 -0.957 -14.562 59 HA PHE 6 HA PHE 6 -2.673 -1.245 -12.708 60 HB2 PHE 6 1HB PHE 6 -3.042 0.663 -15.035 61 HB3 PHE 6 2HB PHE 6 -1.569 0.602 -14.086 62 HD1 PHE 6 HD2 PHE 6 -0.361 -1.674 -13.815 63 HD2 PHE 6 HD1 PHE 6 -3.249 -0.836 -16.912 64 HE1 PHE 6 HE2 PHE 6 0.596 -3.495 -15.205 65 HE2 PHE 6 HE1 PHE 6 -2.283 -2.654 -18.298 66 HZ PHE 6 HZ PHE 6 -0.357 -3.983 -17.449 67 H ASP 7 H ASP 7 -4.779 1.632 -13.188 68 HA ASP 7 HA ASP 7 -3.456 3.239 -11.157 69 HB2 ASP 7 1HB ASP 7 -6.079 3.436 -12.659 70 HB3 ASP 7 2HB ASP 7 -5.774 4.452 -11.257 71 H ILE 8 H ILE 8 -6.249 1.037 -11.103 72 HA ILE 8 HA ILE 8 -7.031 1.558 -8.381 73 HB ILE 8 HB ILE 8 -7.463 -0.977 -10.006 74 HG12 ILE 8 1HG1 ILE 8 -8.405 0.824 -11.286 75 HG13 ILE 8 2HG1 ILE 8 -9.700 -0.073 -10.527 76 HG21 ILE 8 1HG2 ILE 8 -8.768 0.063 -7.466 77 HG22 ILE 8 2HG2 ILE 8 -9.486 -1.202 -8.486 78 HG23 ILE 8 3HG2 ILE 8 -7.919 -1.476 -7.720 79 HD11 ILE 8 3HD1 ILE 8 -9.845 1.747 -8.758 80 HD12 ILE 8 1HD1 ILE 8 -8.653 2.669 -9.707 81 HD13 ILE 8 2HD1 ILE 8 -10.229 2.270 -10.405 82 H THR 9 H THR 9 -4.968 -1.069 -9.724 83 HA THR 9 HA THR 9 -4.305 -2.134 -7.131 84 HB THR 9 HB THR 9 -4.196 -3.421 -9.236 85 HG1 THR 9 HG1 THR 9 -3.196 -4.191 -7.384 86 HG21 THR 9 3HG2 THR 9 -2.237 -3.406 -10.630 87 HG22 THR 9 1HG2 THR 9 -1.477 -2.120 -9.667 88 HG23 THR 9 2HG2 THR 9 -2.932 -1.784 -10.623 89 H ASN 10 H ASN 10 -2.764 0.458 -9.021 90 HA ASN 10 HA ASN 10 -0.360 0.682 -7.514 91 HB2 ASN 10 1HB ASN 10 -2.051 2.690 -9.048 92 HB3 ASN 10 2HB ASN 10 -0.640 3.209 -8.135 93 HD21 ASN 10 2HD2 ASN 10 -0.678 3.691 -10.836 94 HD22 ASN 10 1HD2 ASN 10 0.521 2.639 -11.576 95 H TRP 11 H TRP 11 -3.587 2.102 -6.798 96 HA TRP 11 HA TRP 11 -2.737 3.332 -4.315 97 HB2 TRP 11 1HB TRP 11 -5.495 2.498 -5.286 98 HB3 TRP 11 2HB TRP 11 -5.181 3.451 -3.842 99 HD1 TRP 11 HD1 TRP 11 -6.211 3.955 -7.224 100 HE1 TRP 11 HE1 TRP 11 -5.758 6.345 -8.075 101 HE3 TRP 11 HE3 TRP 11 -2.933 5.512 -3.599 102 HZ2 TRP 11 HZ2 TRP 11 -4.142 8.601 -7.320 103 HZ3 TRP 11 HZ3 TRP 11 -1.925 7.778 -3.712 104 HH2 TRP 11 HH2 TRP 11 -2.516 9.328 -5.562 105 H LEU 12 H LEU 12 -3.962 0.114 -5.095 106 HA LEU 12 HA LEU 12 -4.450 -0.805 -2.452 107 HB2 LEU 12 1HB LEU 12 -4.846 -1.759 -4.937 108 HB3 LEU 12 2HB LEU 12 -3.447 -2.737 -4.526 109 HG LEU 12 HG LEU 12 -5.819 -2.534 -2.622 110 HD11 LEU 12 1HD1 LEU 12 -6.865 -4.446 -3.771 111 HD12 LEU 12 2HD1 LEU 12 -5.641 -4.345 -5.060 112 HD13 LEU 12 3HD1 LEU 12 -6.794 -3.015 -4.807 113 HD21 LEU 12 3HD2 LEU 12 -5.190 -4.849 -2.059 114 HD22 LEU 12 1HD2 LEU 12 -3.813 -3.763 -1.833 115 HD23 LEU 12 2HD2 LEU 12 -3.891 -4.811 -3.269 116 H TRP 13 H TRP 13 -1.443 -0.670 -4.312 117 HA TRP 13 HA TRP 13 0.232 -2.065 -2.482 118 HB2 TRP 13 1HB TRP 13 0.571 -1.019 -4.964 119 HB3 TRP 13 2HB TRP 13 1.415 0.199 -4.028 120 HD1 TRP 13 HD1 TRP 13 1.315 -3.680 -4.033 121 HE1 TRP 13 HE1 TRP 13 3.717 -4.607 -4.062 122 HE3 TRP 13 HE3 TRP 13 3.917 0.746 -4.022 123 HZ2 TRP 13 HZ2 TRP 13 6.390 -3.582 -4.140 124 HZ3 TRP 13 HZ3 TRP 13 6.405 0.730 -4.113 125 HH2 TRP 13 HH2 TRP 13 7.648 -1.420 -4.176 126 H TYR 14 H TYR 14 -0.918 1.276 -2.332 127 HA TYR 14 HA TYR 14 0.912 2.335 -0.422 128 HB2 TYR 14 1HB TYR 14 -0.843 3.568 -1.777 129 HB3 TYR 14 2HB TYR 14 -2.052 2.961 -0.656 130 HD1 TYR 14 HD2 TYR 14 -2.064 3.703 1.742 131 HD2 TYR 14 HD1 TYR 14 0.580 5.428 -1.207 132 HE1 TYR 14 HE2 TYR 14 -1.686 5.661 3.225 133 HE2 TYR 14 HE1 TYR 14 0.942 7.397 0.283 134 HH TYR 14 HH TYR 14 -0.632 7.674 3.489 135 H ILE 15 H ILE 15 -2.073 0.452 0.039 136 HA ILE 15 HA ILE 15 -2.076 0.486 2.929 137 HB ILE 15 HB ILE 15 -3.290 -1.525 1.004 138 HG12 ILE 15 1HG1 ILE 15 -5.172 0.300 2.357 139 HG13 ILE 15 2HG1 ILE 15 -4.028 1.219 1.410 140 HG21 ILE 15 1HG2 ILE 15 -3.855 -1.011 3.954 141 HG22 ILE 15 2HG2 ILE 15 -4.853 -2.027 2.893 142 HG23 ILE 15 3HG2 ILE 15 -3.186 -2.496 3.241 143 HD11 ILE 15 3HD1 ILE 15 -6.222 0.415 0.284 144 HD12 ILE 15 1HD1 ILE 15 -4.702 0.265 -0.609 145 HD13 ILE 15 2HD1 ILE 15 -5.429 -1.166 0.163 146 H LYS 16 H LYS 16 -0.653 -1.767 0.544 147 HA LYS 16 HA LYS 16 0.450 -3.605 2.484 148 HB2 LYS 16 1HB LYS 16 0.804 -3.100 -0.455 149 HB3 LYS 16 2HB LYS 16 2.129 -3.932 0.345 150 HG2 LYS 16 1HG LYS 16 -0.752 -4.837 0.661 151 HG3 LYS 16 2HG LYS 16 0.270 -5.391 -0.673 152 HD2 LYS 16 1HD LYS 16 1.827 -6.481 0.800 153 HD3 LYS 16 2HD LYS 16 1.195 -5.650 2.206 154 HE2 LYS 16 1HE LYS 16 0.184 -7.675 2.530 155 HE3 LYS 16 2HE LYS 16 -1.076 -6.844 1.621 156 HZ1 LYS 16 3HZ LYS 16 0.869 -8.832 0.578 157 HZ2 LYS 16 1HZ LYS 16 -0.087 -7.948 -0.412 158 HZ3 LYS 16 2HZ LYS 16 -0.749 -8.993 0.654 159 H LEU 17 H LEU 17 1.847 -0.675 1.048 160 HA LEU 17 HA LEU 17 4.431 -0.908 2.261 161 HB2 LEU 17 1HB LEU 17 2.819 1.567 1.542 162 HB3 LEU 17 2HB LEU 17 4.483 1.620 2.101 163 HG LEU 17 HG LEU 17 3.570 0.214 -0.446 164 HD11 LEU 17 1HD1 LEU 17 3.374 2.689 -0.527 165 HD12 LEU 17 2HD1 LEU 17 4.644 2.079 -1.599 166 HD13 LEU 17 3HD1 LEU 17 5.079 2.827 -0.045 167 HD21 LEU 17 3HD2 LEU 17 6.348 0.726 0.690 168 HD22 LEU 17 1HD2 LEU 17 6.009 0.187 -0.972 169 HD23 LEU 17 2HD2 LEU 17 5.587 -0.855 0.386 170 H PHE 18 H PHE 18 1.418 0.411 3.682 171 HA PHE 18 HA PHE 18 2.519 1.358 6.118 172 HB2 PHE 18 1HB PHE 18 0.179 1.690 5.327 173 HB3 PHE 18 2HB PHE 18 -0.173 0.011 5.709 174 HD1 PHE 18 HD1 PHE 18 0.484 3.363 7.110 175 HD2 PHE 18 HD2 PHE 18 -0.381 -0.762 8.042 176 HE1 PHE 18 HE1 PHE 18 -0.122 4.010 9.431 177 HE2 PHE 18 HE2 PHE 18 -0.988 -0.108 10.359 178 HZ PHE 18 HZ PHE 18 -0.864 2.278 11.054 179 H ILE 19 H ILE 19 1.560 -1.972 5.263 180 HA ILE 19 HA ILE 19 2.053 -3.170 7.818 181 HB ILE 19 HB ILE 19 2.342 -4.516 5.103 182 HG12 ILE 19 1HG1 ILE 19 -0.171 -4.229 6.815 183 HG13 ILE 19 2HG1 ILE 19 0.143 -3.388 5.298 184 HG21 ILE 19 1HG2 ILE 19 1.635 -6.556 6.542 185 HG22 ILE 19 2HG2 ILE 19 3.267 -5.946 6.754 186 HG23 ILE 19 3HG2 ILE 19 2.013 -5.546 7.946 187 HD11 ILE 19 3HD1 ILE 19 -1.184 -5.116 4.564 188 HD12 ILE 19 1HD1 ILE 19 0.437 -5.771 4.274 189 HD13 ILE 19 2HD1 ILE 19 -0.489 -6.296 5.692 190 H MET 20 H MET 20 4.227 -2.532 5.078 191 HA MET 20 HA MET 20 6.554 -3.861 6.196 192 HB2 MET 20 1HB MET 20 6.346 -1.661 4.102 193 HB3 MET 20 2HB MET 20 7.800 -2.580 4.463 194 HG2 MET 20 1HG MET 20 5.360 -4.193 3.807 195 HG3 MET 20 2HG MET 20 6.013 -3.220 2.504 196 HE1 MET 20 3HE MET 20 9.277 -4.786 1.489 197 HE2 MET 20 1HE MET 20 7.821 -3.910 0.974 198 HE3 MET 20 2HE MET 20 8.877 -3.217 2.224 199 H ILE 21 H ILE 21 5.496 -0.440 6.150 200 HA ILE 21 HA ILE 21 7.726 0.659 7.573 201 HB ILE 21 HB ILE 21 4.846 1.615 7.307 202 HG12 ILE 21 1HG1 ILE 21 7.304 2.687 5.851 203 HG13 ILE 21 2HG1 ILE 21 6.339 1.382 5.188 204 HG21 ILE 21 1HG2 ILE 21 5.781 2.737 9.234 205 HG22 ILE 21 2HG2 ILE 21 7.305 3.073 8.374 206 HG23 ILE 21 3HG2 ILE 21 5.798 3.888 7.913 207 HD11 ILE 21 3HD1 ILE 21 5.526 3.368 4.177 208 HD12 ILE 21 1HD1 ILE 21 4.291 2.877 5.349 209 HD13 ILE 21 2HD1 ILE 21 5.399 4.217 5.724 210 H VAL 22 H VAL 22 4.444 -0.208 8.828 211 HA VAL 22 HA VAL 22 5.219 0.173 11.603 212 HB VAL 22 HB VAL 22 2.862 -1.365 10.463 213 HG11 VAL 22 1HG1 VAL 22 1.834 -0.887 12.710 214 HG12 VAL 22 2HG1 VAL 22 3.182 -2.015 12.783 215 HG13 VAL 22 3HG1 VAL 22 3.420 -0.320 13.276 216 HG21 VAL 22 3HG2 VAL 22 1.649 0.787 11.137 217 HG22 VAL 22 1HG2 VAL 22 3.230 1.531 11.419 218 HG23 VAL 22 2HG2 VAL 22 2.764 1.005 9.788 219 H GLY 23 H GLY 23 5.292 -2.687 9.453 220 HA2 GLY 23 1HA GLY 23 5.678 -4.671 11.335 221 HA3 GLY 23 2HA GLY 23 6.389 -4.687 9.717 222 H GLY 24 H GLY 24 7.996 -2.216 10.410 223 HA2 GLY 24 1HA GLY 24 10.185 -3.469 12.043 224 HA3 GLY 24 2HA GLY 24 10.399 -2.223 10.820 225 H LEU 25 H LEU 25 8.055 -0.630 11.912 226 HA LEU 25 HA LEU 25 9.499 0.749 14.090 227 HB2 LEU 25 1HB LEU 25 6.942 1.404 12.587 228 HB3 LEU 25 2HB LEU 25 7.643 2.421 13.839 229 HG LEU 25 HG LEU 25 8.987 1.745 11.186 230 HD11 LEU 25 1HD1 LEU 25 7.817 4.361 12.225 231 HD12 LEU 25 2HD1 LEU 25 7.004 3.276 11.084 232 HD13 LEU 25 3HD1 LEU 25 8.523 4.061 10.619 233 HD21 LEU 25 3HD2 LEU 25 9.865 3.577 13.457 234 HD22 LEU 25 1HD2 LEU 25 10.582 3.555 11.830 235 HD23 LEU 25 2HD2 LEU 25 10.714 2.130 12.861 236 H VAL 26 H VAL 26 6.806 -1.480 13.941 237 HA VAL 26 HA VAL 26 5.561 -0.771 16.416 238 HB VAL 26 HB VAL 26 4.582 -2.208 14.646 239 HG11 VAL 26 1HG1 VAL 26 6.118 -4.539 15.860 240 HG12 VAL 26 2HG1 VAL 26 4.968 -4.565 14.512 241 HG13 VAL 26 3HG1 VAL 26 6.535 -3.780 14.306 242 HG21 VAL 26 3HG2 VAL 26 3.541 -2.028 16.829 243 HG22 VAL 26 1HG2 VAL 26 3.302 -3.631 16.118 244 HG23 VAL 26 2HG2 VAL 26 4.491 -3.415 17.419 245 H LYS 27 H LYS 27 8.271 -2.893 15.710 246 HA LYS 27 HA LYS 27 8.588 -3.777 18.487 247 HB2 LYS 27 1HB LYS 27 10.379 -5.159 17.685 248 HB3 LYS 27 2HB LYS 27 8.982 -5.280 16.638 249 HG2 LYS 27 1HG LYS 27 10.648 -5.255 15.081 250 HG3 LYS 27 2HG LYS 27 10.238 -3.544 15.114 251 HD2 LYS 27 1HD LYS 27 12.181 -3.161 16.660 252 HD3 LYS 27 2HD LYS 27 12.560 -4.882 16.591 253 HE2 LYS 27 1HE LYS 27 13.074 -4.749 14.236 254 HE3 LYS 27 2HE LYS 27 12.418 -3.109 14.119 255 HZ1 LYS 27 3HZ LYS 27 14.861 -3.121 14.278 256 HZ2 LYS 27 1HZ LYS 27 14.795 -3.830 15.746 257 HZ3 LYS 27 2HZ LYS 27 14.198 -2.318 15.550 258 H LYS 28 H LYS 28 9.961 -1.309 16.559 259 HA LYS 28 HA LYS 28 11.623 0.197 16.639 260 HB2 LYS 28 1HB LYS 28 10.795 0.351 19.550 261 HB3 LYS 28 2HB LYS 28 12.008 1.404 18.813 262 HG2 LYS 28 1HG LYS 28 10.216 1.897 16.990 263 HG3 LYS 28 2HG LYS 28 9.061 1.199 18.143 264 HD2 LYS 28 1HD LYS 28 9.571 2.894 19.785 265 HD3 LYS 28 2HD LYS 28 10.934 3.504 18.837 266 HE2 LYS 28 1HE LYS 28 8.386 3.437 17.320 267 HE3 LYS 28 2HE LYS 28 8.290 4.442 18.766 268 HZ1 LYS 28 3HZ LYS 28 10.348 4.749 16.643 269 HZ2 LYS 28 1HZ LYS 28 10.232 5.674 17.986 270 HZ3 LYS 28 2HZ LYS 28 9.058 5.726 16.860 Start of MODEL 19 1 H1 LYS 1 1H LYS 1 -14.464 8.338 -11.864 2 H2 LYS 1 2H LYS 1 -15.775 8.815 -12.725 3 H3 LYS 1 3H LYS 1 -15.633 7.262 -12.235 4 HA LYS 1 HA LYS 1 -15.135 7.413 -14.584 5 HB2 LYS 1 1HB LYS 1 -13.688 9.794 -13.727 6 HB3 LYS 1 2HB LYS 1 -12.553 8.683 -14.453 7 HG2 LYS 1 1HG LYS 1 -13.237 9.968 -16.229 8 HG3 LYS 1 2HG LYS 1 -14.151 8.489 -16.452 9 HD2 LYS 1 1HD LYS 1 -15.565 10.600 -14.862 10 HD3 LYS 1 2HD LYS 1 -15.115 11.124 -16.467 11 HE2 LYS 1 1HE LYS 1 -16.792 8.642 -15.878 12 HE3 LYS 1 2HE LYS 1 -17.420 10.230 -16.313 13 HZ1 LYS 1 3HZ LYS 1 -15.712 8.538 -18.059 14 HZ2 LYS 1 1HZ LYS 1 -16.177 10.061 -18.424 15 HZ3 LYS 1 2HZ LYS 1 -17.291 8.882 -18.278 16 H LYS 2 H LYS 2 -13.791 5.820 -15.474 17 HA LYS 2 HA LYS 2 -11.916 4.425 -13.592 18 HB2 LYS 2 1HB LYS 2 -14.327 3.482 -13.925 19 HB3 LYS 2 2HB LYS 2 -13.735 2.900 -15.477 20 HG2 LYS 2 1HG LYS 2 -11.911 1.673 -14.318 21 HG3 LYS 2 2HG LYS 2 -12.449 2.315 -12.761 22 HD2 LYS 2 1HD LYS 2 -14.129 0.515 -14.565 23 HD3 LYS 2 2HD LYS 2 -13.171 -0.031 -13.179 24 HE2 LYS 2 1HE LYS 2 -14.496 1.479 -11.685 25 HE3 LYS 2 2HE LYS 2 -15.506 1.932 -13.063 26 HZ1 LYS 2 3HZ LYS 2 -16.518 0.152 -11.758 27 HZ2 LYS 2 1HZ LYS 2 -15.240 -0.830 -12.003 28 HZ3 LYS 2 2HZ LYS 2 -16.189 -0.391 -13.259 29 H LYS 3 H LYS 3 -10.105 5.279 -14.488 30 HA LYS 3 HA LYS 3 -9.560 5.504 -17.303 31 HB2 LYS 3 1HB LYS 3 -7.554 5.479 -15.004 32 HB3 LYS 3 2HB LYS 3 -7.251 5.979 -16.670 33 HG2 LYS 3 1HG LYS 3 -9.431 7.556 -16.034 34 HG3 LYS 3 2HG LYS 3 -8.644 7.417 -14.463 35 HD2 LYS 3 1HD LYS 3 -7.437 8.471 -17.058 36 HD3 LYS 3 2HD LYS 3 -7.899 9.411 -15.634 37 HE2 LYS 3 1HE LYS 3 -6.163 8.078 -14.314 38 HE3 LYS 3 2HE LYS 3 -5.630 7.386 -15.849 39 HZ1 LYS 3 3HZ LYS 3 -4.293 9.312 -15.310 40 HZ2 LYS 3 1HZ LYS 3 -5.600 10.273 -15.152 41 HZ3 LYS 3 2HZ LYS 3 -5.191 9.685 -16.620 42 H ASN 4 H ASN 4 -8.029 3.241 -15.001 43 HA ASN 4 HA ASN 4 -8.243 1.034 -16.889 44 HB2 ASN 4 1HB ASN 4 -6.098 2.342 -17.524 45 HB3 ASN 4 2HB ASN 4 -5.450 1.855 -15.956 46 HD21 ASN 4 2HD2 ASN 4 -3.736 0.627 -17.033 47 HD22 ASN 4 1HD2 ASN 4 -4.153 -0.869 -17.860 48 H TRP 5 H TRP 5 -7.613 -1.043 -15.883 49 HA TRP 5 HA TRP 5 -8.455 -1.307 -13.163 50 HB2 TRP 5 1HB TRP 5 -7.959 -3.610 -13.396 51 HB3 TRP 5 2HB TRP 5 -8.578 -3.070 -14.946 52 HD1 TRP 5 HD1 TRP 5 -6.839 -3.029 -17.005 53 HE1 TRP 5 HE1 TRP 5 -4.558 -4.157 -17.394 54 HE3 TRP 5 HE3 TRP 5 -5.784 -4.442 -12.188 55 HZ2 TRP 5 HZ2 TRP 5 -2.518 -5.438 -15.821 56 HZ3 TRP 5 HZ3 TRP 5 -3.658 -5.623 -11.668 57 HH2 TRP 5 HH2 TRP 5 -2.019 -6.116 -13.464 58 H PHE 6 H PHE 6 -5.202 -1.086 -14.550 59 HA PHE 6 HA PHE 6 -3.676 -1.765 -12.271 60 HB2 PHE 6 1HB PHE 6 -2.871 -1.532 -14.627 61 HB3 PHE 6 2HB PHE 6 -2.971 0.218 -14.468 62 HD1 PHE 6 HD1 PHE 6 -1.208 -2.850 -13.345 63 HD2 PHE 6 HD2 PHE 6 -1.278 1.461 -13.187 64 HE1 PHE 6 HE1 PHE 6 1.079 -2.846 -12.372 65 HE2 PHE 6 HE2 PHE 6 1.006 1.460 -12.207 66 HZ PHE 6 HZ PHE 6 2.185 -0.692 -11.796 67 H ASP 7 H ASP 7 -5.264 1.292 -13.050 68 HA ASP 7 HA ASP 7 -3.937 3.005 -11.201 69 HB2 ASP 7 1HB ASP 7 -5.704 3.385 -13.175 70 HB3 ASP 7 2HB ASP 7 -6.861 3.348 -11.850 71 H ILE 8 H ILE 8 -6.404 0.548 -10.722 72 HA ILE 8 HA ILE 8 -7.177 1.351 -8.028 73 HB ILE 8 HB ILE 8 -7.470 -1.380 -9.322 74 HG12 ILE 8 1HG1 ILE 8 -8.572 0.189 -10.800 75 HG13 ILE 8 2HG1 ILE 8 -9.766 -0.734 -9.914 76 HG21 ILE 8 1HG2 ILE 8 -7.801 -1.528 -6.948 77 HG22 ILE 8 2HG2 ILE 8 -8.823 -0.079 -6.928 78 HG23 ILE 8 3HG2 ILE 8 -9.393 -1.570 -7.708 79 HD11 ILE 8 3HD1 ILE 8 -10.455 1.598 -10.100 80 HD12 ILE 8 1HD1 ILE 8 -10.149 1.220 -8.397 81 HD13 ILE 8 2HD1 ILE 8 -8.958 2.154 -9.336 82 H THR 9 H THR 9 -4.909 -1.074 -9.376 83 HA THR 9 HA THR 9 -3.983 -2.072 -6.850 84 HB THR 9 HB THR 9 -2.175 -3.111 -7.967 85 HG1 THR 9 HG1 THR 9 -2.680 -1.249 -10.023 86 HG21 THR 9 3HG2 THR 9 -4.453 -4.050 -8.371 87 HG22 THR 9 1HG2 THR 9 -3.281 -4.409 -9.650 88 HG23 THR 9 2HG2 THR 9 -4.514 -3.161 -9.914 89 H ASN 10 H ASN 10 -3.169 0.833 -8.532 90 HA ASN 10 HA ASN 10 -0.676 1.498 -7.382 91 HB2 ASN 10 1HB ASN 10 -2.263 2.630 -9.218 92 HB3 ASN 10 2HB ASN 10 -2.818 3.588 -7.851 93 HD21 ASN 10 2HD2 ASN 10 -0.529 3.397 -10.327 94 HD22 ASN 10 1HD2 ASN 10 0.613 4.554 -9.659 95 H TRP 11 H TRP 11 -3.966 1.811 -6.045 96 HA TRP 11 HA TRP 11 -3.161 3.096 -3.558 97 HB2 TRP 11 1HB TRP 11 -5.722 1.600 -4.198 98 HB3 TRP 11 2HB TRP 11 -5.453 2.723 -2.874 99 HD1 TRP 11 HD1 TRP 11 -6.713 2.561 -6.305 100 HE1 TRP 11 HE1 TRP 11 -7.126 4.895 -7.316 101 HE3 TRP 11 HE3 TRP 11 -4.309 5.401 -2.787 102 HZ2 TRP 11 HZ2 TRP 11 -6.532 7.629 -6.656 103 HZ3 TRP 11 HZ3 TRP 11 -4.252 7.881 -3.004 104 HH2 TRP 11 HH2 TRP 11 -5.354 9.001 -4.928 105 H LEU 12 H LEU 12 -3.789 -0.306 -4.510 106 HA LEU 12 HA LEU 12 -3.704 -1.492 -1.922 107 HB2 LEU 12 1HB LEU 12 -3.137 -2.514 -4.702 108 HB3 LEU 12 2HB LEU 12 -2.514 -3.427 -3.345 109 HG LEU 12 HG LEU 12 -4.876 -3.383 -2.345 110 HD11 LEU 12 1HD1 LEU 12 -6.720 -3.197 -3.949 111 HD12 LEU 12 2HD1 LEU 12 -5.593 -2.748 -5.244 112 HD13 LEU 12 3HD1 LEU 12 -5.851 -1.658 -3.862 113 HD21 LEU 12 3HD2 LEU 12 -3.819 -5.380 -3.284 114 HD22 LEU 12 1HD2 LEU 12 -4.321 -4.906 -4.923 115 HD23 LEU 12 2HD2 LEU 12 -5.537 -5.336 -3.696 116 H TRP 13 H TRP 13 -1.005 -0.650 -4.066 117 HA TRP 13 HA TRP 13 1.086 -1.737 -2.505 118 HB2 TRP 13 1HB TRP 13 0.991 -0.595 -4.909 119 HB3 TRP 13 2HB TRP 13 1.518 0.825 -4.023 120 HD1 TRP 13 HD1 TRP 13 2.514 -2.908 -4.295 121 HE1 TRP 13 HE1 TRP 13 5.081 -3.118 -4.402 122 HE3 TRP 13 HE3 TRP 13 3.766 2.051 -3.906 123 HZ2 TRP 13 HZ2 TRP 13 7.361 -1.379 -4.325 124 HZ3 TRP 13 HZ3 TRP 13 6.156 2.744 -3.952 125 HH2 TRP 13 HH2 TRP 13 7.956 1.045 -4.154 126 H TYR 14 H TYR 14 -0.545 1.401 -2.145 127 HA TYR 14 HA TYR 14 1.168 2.542 -0.164 128 HB2 TYR 14 1HB TYR 14 -0.609 3.685 -1.566 129 HB3 TYR 14 2HB TYR 14 -1.816 2.989 -0.495 130 HD1 TYR 14 HD1 TYR 14 1.293 5.098 -0.451 131 HD2 TYR 14 HD2 TYR 14 -2.501 4.208 1.409 132 HE1 TYR 14 HE1 TYR 14 1.557 7.079 1.032 133 HE2 TYR 14 HE2 TYR 14 -2.233 6.201 2.888 134 HH TYR 14 HH TYR 14 0.625 8.351 2.684 135 H ILE 15 H ILE 15 -1.689 0.423 0.181 136 HA ILE 15 HA ILE 15 -1.669 0.400 3.095 137 HB ILE 15 HB ILE 15 -2.864 -1.578 1.122 138 HG12 ILE 15 1HG1 ILE 15 -4.703 0.160 2.685 139 HG13 ILE 15 2HG1 ILE 15 -3.677 1.086 1.610 140 HG21 ILE 15 1HG2 ILE 15 -3.311 -1.260 4.124 141 HG22 ILE 15 2HG2 ILE 15 -4.319 -2.256 3.052 142 HG23 ILE 15 3HG2 ILE 15 -2.621 -2.672 3.295 143 HD11 ILE 15 3HD1 ILE 15 -4.396 -0.205 -0.315 144 HD12 ILE 15 1HD1 ILE 15 -5.351 -1.296 0.712 145 HD13 ILE 15 2HD1 ILE 15 -5.812 0.414 0.543 146 H LYS 16 H LYS 16 -0.355 -1.835 0.624 147 HA LYS 16 HA LYS 16 0.904 -3.696 2.396 148 HB2 LYS 16 1HB LYS 16 1.037 -2.973 -0.475 149 HB3 LYS 16 2HB LYS 16 2.547 -3.624 0.140 150 HG2 LYS 16 1HG LYS 16 1.717 -5.704 0.520 151 HG3 LYS 16 2HG LYS 16 0.087 -5.153 0.938 152 HD2 LYS 16 1HD LYS 16 -0.531 -4.844 -1.348 153 HD3 LYS 16 2HD LYS 16 1.154 -4.969 -1.897 154 HE2 LYS 16 1HE LYS 16 1.047 -7.371 -0.806 155 HE3 LYS 16 2HE LYS 16 -0.704 -7.166 -0.924 156 HZ1 LYS 16 3HZ LYS 16 -0.394 -6.784 -3.335 157 HZ2 LYS 16 1HZ LYS 16 0.212 -8.239 -2.909 158 HZ3 LYS 16 2HZ LYS 16 1.221 -6.992 -3.189 159 H LEU 17 H LEU 17 2.198 -0.634 1.153 160 HA LEU 17 HA LEU 17 4.780 -0.827 2.364 161 HB2 LEU 17 1HB LEU 17 3.023 1.550 1.674 162 HB3 LEU 17 2HB LEU 17 4.619 1.755 2.375 163 HG LEU 17 HG LEU 17 4.163 0.241 -0.232 164 HD11 LEU 17 1HD1 LEU 17 4.998 3.140 0.216 165 HD12 LEU 17 2HD1 LEU 17 3.433 2.600 -0.432 166 HD13 LEU 17 3HD1 LEU 17 4.913 2.295 -1.346 167 HD21 LEU 17 3HD2 LEU 17 6.290 -0.326 0.813 168 HD22 LEU 17 1HD2 LEU 17 6.657 1.395 1.078 169 HD23 LEU 17 2HD2 LEU 17 6.575 0.732 -0.570 170 H PHE 18 H PHE 18 1.718 0.428 3.791 171 HA PHE 18 HA PHE 18 2.787 1.233 6.293 172 HB2 PHE 18 1HB PHE 18 0.499 1.728 5.469 173 HB3 PHE 18 2HB PHE 18 0.044 0.052 5.742 174 HD1 PHE 18 HD1 PHE 18 0.847 3.271 7.363 175 HD2 PHE 18 HD2 PHE 18 -0.276 -0.845 8.015 176 HE1 PHE 18 HE1 PHE 18 0.209 3.811 9.703 177 HE2 PHE 18 HE2 PHE 18 -0.905 -0.301 10.354 178 HZ PHE 18 HZ PHE 18 -0.679 2.029 11.195 179 H ILE 19 H ILE 19 1.694 -2.016 5.287 180 HA ILE 19 HA ILE 19 2.073 -3.348 7.786 181 HB ILE 19 HB ILE 19 2.464 -4.544 5.015 182 HG12 ILE 19 1HG1 ILE 19 -0.076 -4.490 6.715 183 HG13 ILE 19 2HG1 ILE 19 0.213 -3.427 5.343 184 HG21 ILE 19 1HG2 ILE 19 3.369 -5.982 6.811 185 HG22 ILE 19 2HG2 ILE 19 1.841 -5.846 7.708 186 HG23 ILE 19 3HG2 ILE 19 1.913 -6.696 6.151 187 HD11 ILE 19 3HD1 ILE 19 -0.120 -6.435 5.232 188 HD12 ILE 19 1HD1 ILE 19 -1.149 -5.180 4.532 189 HD13 ILE 19 2HD1 ILE 19 0.473 -5.460 3.868 190 H MET 20 H MET 20 4.402 -2.739 5.138 191 HA MET 20 HA MET 20 6.645 -4.041 6.446 192 HB2 MET 20 1HB MET 20 6.501 -1.994 4.198 193 HB3 MET 20 2HB MET 20 7.996 -2.735 4.762 194 HG2 MET 20 1HG MET 20 5.959 -4.776 4.262 195 HG3 MET 20 2HG MET 20 6.189 -3.767 2.842 196 HE1 MET 20 3HE MET 20 8.212 -4.372 1.043 197 HE2 MET 20 1HE MET 20 8.610 -3.022 2.130 198 HE3 MET 20 2HE MET 20 9.820 -4.282 1.795 199 H ILE 21 H ILE 21 5.611 -0.606 6.309 200 HA ILE 21 HA ILE 21 7.799 0.491 7.785 201 HB ILE 21 HB ILE 21 4.916 1.421 7.480 202 HG12 ILE 21 1HG1 ILE 21 7.407 2.583 6.155 203 HG13 ILE 21 2HG1 ILE 21 6.500 1.282 5.412 204 HG21 ILE 21 1HG2 ILE 21 5.778 3.680 8.199 205 HG22 ILE 21 2HG2 ILE 21 5.795 2.488 9.483 206 HG23 ILE 21 3HG2 ILE 21 7.312 2.908 8.648 207 HD11 ILE 21 3HD1 ILE 21 5.701 3.302 4.435 208 HD12 ILE 21 1HD1 ILE 21 4.419 2.729 5.515 209 HD13 ILE 21 2HD1 ILE 21 5.467 4.077 6.009 210 H VAL 22 H VAL 22 4.514 -0.437 9.008 211 HA VAL 22 HA VAL 22 5.310 -0.083 11.786 212 HB VAL 22 HB VAL 22 2.932 -1.607 10.668 213 HG11 VAL 22 1HG1 VAL 22 3.305 -2.233 13.002 214 HG12 VAL 22 2HG1 VAL 22 3.508 -0.527 13.466 215 HG13 VAL 22 3HG1 VAL 22 1.930 -1.136 12.918 216 HG21 VAL 22 3HG2 VAL 22 2.820 0.748 9.975 217 HG22 VAL 22 1HG2 VAL 22 1.731 0.547 11.348 218 HG23 VAL 22 2HG2 VAL 22 3.318 1.294 11.590 219 H GLY 23 H GLY 23 5.257 -2.937 9.618 220 HA2 GLY 23 1HA GLY 23 5.731 -4.931 11.489 221 HA3 GLY 23 2HA GLY 23 6.339 -4.954 9.828 222 H GLY 24 H GLY 24 7.987 -2.484 10.405 223 HA2 GLY 24 1HA GLY 24 10.275 -3.721 11.902 224 HA3 GLY 24 2HA GLY 24 10.402 -2.471 10.669 225 H LEU 25 H LEU 25 8.110 -0.901 11.955 226 HA LEU 25 HA LEU 25 9.712 0.451 14.038 227 HB2 LEU 25 1HB LEU 25 7.088 1.156 12.684 228 HB3 LEU 25 2HB LEU 25 7.833 2.129 13.944 229 HG LEU 25 HG LEU 25 9.048 1.566 11.208 230 HD11 LEU 25 1HD1 LEU 25 7.108 3.151 11.302 231 HD12 LEU 25 2HD1 LEU 25 8.623 3.924 10.808 232 HD13 LEU 25 3HD1 LEU 25 8.009 4.141 12.464 233 HD21 LEU 25 3HD2 LEU 25 10.109 3.147 13.584 234 HD22 LEU 25 1HD2 LEU 25 10.694 3.360 11.917 235 HD23 LEU 25 2HD2 LEU 25 10.897 1.803 12.718 236 H VAL 26 H VAL 26 6.964 -1.727 14.045 237 HA VAL 26 HA VAL 26 5.856 -0.999 16.565 238 HB VAL 26 HB VAL 26 4.802 -2.453 14.861 239 HG11 VAL 26 1HG1 VAL 26 6.443 -4.746 16.019 240 HG12 VAL 26 2HG1 VAL 26 5.203 -4.825 14.753 241 HG13 VAL 26 3HG1 VAL 26 6.738 -4.013 14.428 242 HG21 VAL 26 3HG2 VAL 26 4.819 -3.726 17.605 243 HG22 VAL 26 1HG2 VAL 26 3.909 -2.265 17.142 244 HG23 VAL 26 2HG2 VAL 26 3.551 -3.813 16.362 245 H LYS 27 H LYS 27 8.660 -2.903 15.807 246 HA LYS 27 HA LYS 27 9.127 -3.730 18.614 247 HB2 LYS 27 1HB LYS 27 10.719 -5.239 17.766 248 HB3 LYS 27 2HB LYS 27 9.387 -5.253 16.635 249 HG2 LYS 27 1HG LYS 27 11.093 -5.165 15.132 250 HG3 LYS 27 2HG LYS 27 10.834 -3.445 15.323 251 HD2 LYS 27 1HD LYS 27 12.984 -3.179 15.992 252 HD3 LYS 27 2HD LYS 27 12.706 -4.248 17.371 253 HE2 LYS 27 1HE LYS 27 13.006 -6.201 15.681 254 HE3 LYS 27 2HE LYS 27 13.679 -4.983 14.591 255 HZ1 LYS 27 3HZ LYS 27 14.709 -5.659 17.301 256 HZ2 LYS 27 1HZ LYS 27 15.328 -4.476 16.357 257 HZ3 LYS 27 2HZ LYS 27 15.427 -6.037 15.890 258 H LYS 28 H LYS 28 10.077 -1.124 16.641 259 HA LYS 28 HA LYS 28 12.667 -0.471 17.795 260 HB2 LYS 28 1HB LYS 28 10.655 0.975 16.057 261 HB3 LYS 28 2HB LYS 28 11.955 1.886 16.792 262 HG2 LYS 28 1HG LYS 28 12.596 -0.643 15.246 263 HG3 LYS 28 2HG LYS 28 12.293 0.875 14.393 264 HD2 LYS 28 1HD LYS 28 14.107 1.998 15.453 265 HD3 LYS 28 2HD LYS 28 14.309 0.715 16.659 266 HE2 LYS 28 1HE LYS 28 14.984 -0.867 14.887 267 HE3 LYS 28 2HE LYS 28 14.811 0.400 13.666 268 HZ1 LYS 28 3HZ LYS 28 16.602 1.612 14.679 269 HZ2 LYS 28 1HZ LYS 28 17.131 0.076 14.525 270 HZ3 LYS 28 2HZ LYS 28 16.658 0.630 15.984 Start of MODEL 20 1 H1 LYS 1 1H LYS 1 -14.082 8.586 -10.079 2 H2 LYS 1 2H LYS 1 -15.223 9.376 -10.950 3 H3 LYS 1 3H LYS 1 -15.219 7.743 -10.893 4 HA LYS 1 HA LYS 1 -14.377 8.439 -13.003 5 HB2 LYS 1 1HB LYS 1 -12.364 9.795 -13.223 6 HB3 LYS 1 2HB LYS 1 -13.650 10.654 -12.398 7 HG2 LYS 1 1HG LYS 1 -12.420 9.919 -10.189 8 HG3 LYS 1 2HG LYS 1 -11.044 9.596 -11.239 9 HD2 LYS 1 1HD LYS 1 -12.536 12.261 -11.127 10 HD3 LYS 1 2HD LYS 1 -11.182 11.892 -10.080 11 HE2 LYS 1 1HE LYS 1 -10.974 11.851 -13.125 12 HE3 LYS 1 2HE LYS 1 -10.696 13.289 -12.143 13 HZ1 LYS 1 3HZ LYS 1 -8.601 12.225 -12.524 14 HZ2 LYS 1 1HZ LYS 1 -9.118 10.781 -11.961 15 HZ3 LYS 1 2HZ LYS 1 -8.949 12.048 -10.945 16 H LYS 2 H LYS 2 -13.445 6.777 -13.970 17 HA LYS 2 HA LYS 2 -11.200 5.306 -12.696 18 HB2 LYS 2 1HB LYS 2 -12.222 3.143 -13.053 19 HB3 LYS 2 2HB LYS 2 -13.237 4.133 -12.018 20 HG2 LYS 2 1HG LYS 2 -14.611 4.666 -14.186 21 HG3 LYS 2 2HG LYS 2 -13.685 3.355 -14.923 22 HD2 LYS 2 1HD LYS 2 -15.714 2.373 -14.194 23 HD3 LYS 2 2HD LYS 2 -14.503 1.856 -13.010 24 HE2 LYS 2 1HE LYS 2 -15.262 3.759 -11.515 25 HE3 LYS 2 2HE LYS 2 -16.506 4.152 -12.707 26 HZ1 LYS 2 3HZ LYS 2 -16.305 1.575 -11.236 27 HZ2 LYS 2 1HZ LYS 2 -17.460 1.937 -12.337 28 HZ3 LYS 2 2HZ LYS 2 -17.387 2.755 -10.929 29 H LYS 3 H LYS 3 -9.904 4.178 -14.102 30 HA LYS 3 HA LYS 3 -10.083 4.894 -17.027 31 HB2 LYS 3 1HB LYS 3 -7.697 5.182 -15.148 32 HB3 LYS 3 2HB LYS 3 -7.500 4.930 -16.879 33 HG2 LYS 3 1HG LYS 3 -7.410 7.220 -16.737 34 HG3 LYS 3 2HG LYS 3 -9.058 6.909 -17.260 35 HD2 LYS 3 1HD LYS 3 -9.293 7.012 -14.461 36 HD3 LYS 3 2HD LYS 3 -8.015 8.168 -14.771 37 HE2 LYS 3 1HE LYS 3 -10.764 8.148 -16.112 38 HE3 LYS 3 2HE LYS 3 -10.316 9.164 -14.738 39 HZ1 LYS 3 3HZ LYS 3 -10.112 10.391 -16.811 40 HZ2 LYS 3 1HZ LYS 3 -9.075 9.304 -17.437 41 HZ3 LYS 3 2HZ LYS 3 -8.624 10.220 -16.162 42 H ASN 4 H ASN 4 -8.072 2.794 -14.944 43 HA ASN 4 HA ASN 4 -8.989 0.423 -16.409 44 HB2 ASN 4 1HB ASN 4 -6.678 1.766 -17.321 45 HB3 ASN 4 2HB ASN 4 -6.022 0.504 -16.294 46 HD21 ASN 4 2HD2 ASN 4 -6.873 1.146 -19.442 47 HD22 ASN 4 1HD2 ASN 4 -7.235 -0.504 -19.934 48 H TRP 5 H TRP 5 -8.101 -1.608 -15.446 49 HA TRP 5 HA TRP 5 -8.371 -1.656 -12.594 50 HB2 TRP 5 1HB TRP 5 -7.843 -3.985 -12.752 51 HB3 TRP 5 2HB TRP 5 -8.875 -3.557 -14.106 52 HD1 TRP 5 HD1 TRP 5 -7.779 -3.630 -16.554 53 HE1 TRP 5 HE1 TRP 5 -5.667 -4.738 -17.507 54 HE3 TRP 5 HE3 TRP 5 -5.404 -4.782 -12.159 55 HZ2 TRP 5 HZ2 TRP 5 -3.265 -5.964 -16.504 56 HZ3 TRP 5 HZ3 TRP 5 -3.205 -5.952 -12.194 57 HH2 TRP 5 HH2 TRP 5 -2.128 -6.536 -14.350 58 H PHE 6 H PHE 6 -5.516 -1.415 -14.631 59 HA PHE 6 HA PHE 6 -3.490 -1.859 -12.697 60 HB2 PHE 6 1HB PHE 6 -3.178 -1.762 -15.158 61 HB3 PHE 6 2HB PHE 6 -3.459 -0.024 -15.122 62 HD1 PHE 6 HD1 PHE 6 -1.247 -2.698 -13.668 63 HD2 PHE 6 HD2 PHE 6 -1.598 1.442 -14.833 64 HE1 PHE 6 HE1 PHE 6 1.169 -2.359 -13.197 65 HE2 PHE 6 HE2 PHE 6 0.822 1.773 -14.371 66 HZ PHE 6 HZ PHE 6 2.204 -0.123 -13.543 67 H ASP 7 H ASP 7 -5.522 1.024 -13.178 68 HA ASP 7 HA ASP 7 -3.854 2.826 -11.637 69 HB2 ASP 7 1HB ASP 7 -5.759 3.462 -13.216 70 HB3 ASP 7 2HB ASP 7 -6.875 2.981 -11.936 71 H ILE 8 H ILE 8 -6.501 0.600 -10.843 72 HA ILE 8 HA ILE 8 -6.731 1.216 -8.050 73 HB ILE 8 HB ILE 8 -7.401 -1.425 -9.379 74 HG12 ILE 8 1HG1 ILE 8 -8.565 0.191 -10.699 75 HG13 ILE 8 2HG1 ILE 8 -9.719 -0.548 -9.610 76 HG21 ILE 8 1HG2 ILE 8 -7.450 -1.581 -6.965 77 HG22 ILE 8 2HG2 ILE 8 -8.411 -0.097 -6.833 78 HG23 ILE 8 3HG2 ILE 8 -9.108 -1.560 -7.565 79 HD11 ILE 8 3HD1 ILE 8 -10.189 1.812 -9.739 80 HD12 ILE 8 1HD1 ILE 8 -9.544 1.500 -8.119 81 HD13 ILE 8 2HD1 ILE 8 -8.514 2.244 -9.365 82 H THR 9 H THR 9 -4.767 -1.308 -9.743 83 HA THR 9 HA THR 9 -3.752 -2.444 -7.317 84 HB THR 9 HB THR 9 -1.962 -3.444 -8.652 85 HG1 THR 9 HG1 THR 9 -1.932 -3.122 -10.847 86 HG21 THR 9 3HG2 THR 9 -4.194 -4.519 -8.503 87 HG22 THR 9 1HG2 THR 9 -3.387 -4.851 -10.044 88 HG23 THR 9 2HG2 THR 9 -4.701 -3.658 -9.974 89 H ASN 10 H ASN 10 -2.680 0.414 -9.092 90 HA ASN 10 HA ASN 10 -0.163 0.731 -7.720 91 HB2 ASN 10 1HB ASN 10 -2.004 2.829 -8.949 92 HB3 ASN 10 2HB ASN 10 -0.376 3.140 -8.365 93 HD21 ASN 10 2HD2 ASN 10 -1.528 3.368 -11.140 94 HD22 ASN 10 1HD2 ASN 10 -0.465 2.334 -12.092 95 H TRP 11 H TRP 11 -3.467 1.865 -6.881 96 HA TRP 11 HA TRP 11 -2.684 3.181 -4.427 97 HB2 TRP 11 1HB TRP 11 -5.387 2.050 -5.227 98 HB3 TRP 11 2HB TRP 11 -5.073 3.156 -3.892 99 HD1 TRP 11 HD1 TRP 11 -6.121 3.165 -7.379 100 HE1 TRP 11 HE1 TRP 11 -5.897 5.427 -8.522 101 HE3 TRP 11 HE3 TRP 11 -3.335 5.545 -3.802 102 HZ2 TRP 11 HZ2 TRP 11 -4.789 8.040 -7.867 103 HZ3 TRP 11 HZ3 TRP 11 -2.711 7.935 -4.088 104 HH2 TRP 11 HH2 TRP 11 -3.431 9.190 -6.106 105 H LEU 12 H LEU 12 -3.685 -0.165 -5.137 106 HA LEU 12 HA LEU 12 -3.870 -1.093 -2.451 107 HB2 LEU 12 1HB LEU 12 -3.805 -2.256 -5.116 108 HB3 LEU 12 2HB LEU 12 -2.760 -3.196 -4.078 109 HG LEU 12 HG LEU 12 -5.043 -4.073 -4.193 110 HD11 LEU 12 1HD1 LEU 12 -4.144 -4.832 -2.239 111 HD12 LEU 12 2HD1 LEU 12 -5.523 -3.935 -1.581 112 HD13 LEU 12 3HD1 LEU 12 -3.902 -3.220 -1.546 113 HD21 LEU 12 3HD2 LEU 12 -6.952 -2.966 -3.273 114 HD22 LEU 12 1HD2 LEU 12 -6.219 -1.913 -4.495 115 HD23 LEU 12 2HD2 LEU 12 -5.989 -1.566 -2.766 116 H TRP 13 H TRP 13 -0.983 -0.489 -4.378 117 HA TRP 13 HA TRP 13 0.914 -1.823 -2.733 118 HB2 TRP 13 1HB TRP 13 1.049 -0.543 -5.090 119 HB3 TRP 13 2HB TRP 13 1.666 0.749 -4.076 120 HD1 TRP 13 HD1 TRP 13 2.329 -2.928 -4.985 121 HE1 TRP 13 HE1 TRP 13 4.863 -3.404 -4.895 122 HE3 TRP 13 HE3 TRP 13 3.959 1.583 -3.175 123 HZ2 TRP 13 HZ2 TRP 13 7.248 -2.066 -4.029 124 HZ3 TRP 13 HZ3 TRP 13 6.389 1.973 -2.795 125 HH2 TRP 13 HH2 TRP 13 8.032 0.153 -3.183 126 H TYR 14 H TYR 14 -0.686 1.295 -2.230 127 HA TYR 14 HA TYR 14 1.027 2.310 -0.152 128 HB2 TYR 14 1HB TYR 14 -0.659 3.633 -1.437 129 HB3 TYR 14 2HB TYR 14 -1.945 2.771 -0.598 130 HD1 TYR 14 HD1 TYR 14 0.883 5.158 -0.152 131 HD2 TYR 14 HD2 TYR 14 -2.616 3.368 1.638 132 HE1 TYR 14 HE1 TYR 14 0.963 6.830 1.703 133 HE2 TYR 14 HE2 TYR 14 -2.528 5.033 3.481 134 HH TYR 14 HH TYR 14 -1.440 6.842 4.359 135 H ILE 15 H ILE 15 -1.675 0.008 -0.099 136 HA ILE 15 HA ILE 15 -1.951 -0.134 2.780 137 HB ILE 15 HB ILE 15 -2.561 -2.332 0.768 138 HG12 ILE 15 1HG1 ILE 15 -3.772 -0.443 -0.057 139 HG13 ILE 15 2HG1 ILE 15 -4.903 -1.493 0.770 140 HG21 ILE 15 1HG2 ILE 15 -4.258 -3.011 2.466 141 HG22 ILE 15 2HG2 ILE 15 -2.597 -3.150 3.045 142 HG23 ILE 15 3HG2 ILE 15 -3.603 -1.788 3.576 143 HD11 ILE 15 3HD1 ILE 15 -4.800 0.058 2.775 144 HD12 ILE 15 1HD1 ILE 15 -3.776 1.146 1.805 145 HD13 ILE 15 2HD1 ILE 15 -5.436 0.802 1.298 146 H LYS 16 H LYS 16 0.009 -1.957 0.426 147 HA LYS 16 HA LYS 16 1.310 -3.654 2.371 148 HB2 LYS 16 1HB LYS 16 1.134 -4.200 -0.011 149 HB3 LYS 16 2HB LYS 16 2.231 -2.880 -0.425 150 HG2 LYS 16 1HG LYS 16 4.075 -4.062 0.165 151 HG3 LYS 16 2HG LYS 16 3.343 -4.694 1.644 152 HD2 LYS 16 1HD LYS 16 3.841 -6.576 0.288 153 HD3 LYS 16 2HD LYS 16 2.094 -6.364 0.278 154 HE2 LYS 16 1HE LYS 16 2.596 -6.800 -1.966 155 HE3 LYS 16 2HE LYS 16 2.414 -5.037 -1.908 156 HZ1 LYS 16 3HZ LYS 16 5.024 -6.463 -1.822 157 HZ2 LYS 16 1HZ LYS 16 4.827 -4.838 -1.897 158 HZ3 LYS 16 2HZ LYS 16 4.397 -5.780 -3.160 159 H LEU 17 H LEU 17 2.222 -0.467 1.082 160 HA LEU 17 HA LEU 17 4.765 -0.234 2.336 161 HB2 LEU 17 1HB LEU 17 2.640 1.890 1.825 162 HB3 LEU 17 2HB LEU 17 4.214 2.265 2.495 163 HG LEU 17 HG LEU 17 3.764 1.016 -0.247 164 HD11 LEU 17 1HD1 LEU 17 3.027 3.399 -0.021 165 HD12 LEU 17 2HD1 LEU 17 4.412 3.200 -1.103 166 HD13 LEU 17 3HD1 LEU 17 4.654 3.820 0.546 167 HD21 LEU 17 3HD2 LEU 17 6.267 1.882 1.260 168 HD22 LEU 17 1HD2 LEU 17 6.220 1.709 -0.501 169 HD23 LEU 17 2HD2 LEU 17 5.921 0.300 0.514 170 H PHE 18 H PHE 18 1.566 0.525 3.782 171 HA PHE 18 HA PHE 18 2.484 1.307 6.347 172 HB2 PHE 18 1HB PHE 18 0.171 1.558 5.526 173 HB3 PHE 18 2HB PHE 18 -0.062 -0.181 5.616 174 HD1 PHE 18 HD1 PHE 18 0.312 2.934 7.587 175 HD2 PHE 18 HD2 PHE 18 -0.384 -1.322 7.767 176 HE1 PHE 18 HE1 PHE 18 -0.488 3.160 9.928 177 HE2 PHE 18 HE2 PHE 18 -1.176 -1.090 10.109 178 HZ PHE 18 HZ PHE 18 -1.249 1.152 11.184 179 H ILE 19 H ILE 19 1.820 -2.001 5.145 180 HA ILE 19 HA ILE 19 2.360 -3.378 7.598 181 HB ILE 19 HB ILE 19 2.779 -4.442 4.778 182 HG12 ILE 19 1HG1 ILE 19 0.302 -4.672 6.557 183 HG13 ILE 19 2HG1 ILE 19 0.447 -3.551 5.213 184 HG21 ILE 19 1HG2 ILE 19 2.348 -5.881 7.439 185 HG22 ILE 19 2HG2 ILE 19 2.469 -6.667 5.852 186 HG23 ILE 19 3HG2 ILE 19 3.863 -5.840 6.514 187 HD11 ILE 19 3HD1 ILE 19 0.842 -5.514 3.668 188 HD12 ILE 19 1HD1 ILE 19 0.378 -6.571 5.022 189 HD13 ILE 19 2HD1 ILE 19 -0.777 -5.393 4.385 190 H MET 20 H MET 20 4.593 -2.442 4.932 191 HA MET 20 HA MET 20 6.950 -3.603 6.132 192 HB2 MET 20 1HB MET 20 6.867 -1.139 4.342 193 HB3 MET 20 2HB MET 20 8.257 -2.162 4.702 194 HG2 MET 20 1HG MET 20 7.017 -4.085 3.604 195 HG3 MET 20 2HG MET 20 5.800 -2.904 3.101 196 HE1 MET 20 3HE MET 20 5.870 -2.658 0.562 197 HE2 MET 20 1HE MET 20 7.302 -3.145 -0.371 198 HE3 MET 20 2HE MET 20 6.558 -4.290 0.773 199 H ILE 21 H ILE 21 5.660 -0.277 6.269 200 HA ILE 21 HA ILE 21 7.735 0.855 7.867 201 HB ILE 21 HB ILE 21 4.835 1.673 7.448 202 HG12 ILE 21 1HG1 ILE 21 7.310 2.965 6.225 203 HG13 ILE 21 2HG1 ILE 21 6.534 1.598 5.450 204 HG21 ILE 21 1HG2 ILE 21 7.121 3.249 8.714 205 HG22 ILE 21 2HG2 ILE 21 5.579 3.961 8.203 206 HG23 ILE 21 3HG2 ILE 21 5.591 2.767 9.486 207 HD11 ILE 21 3HD1 ILE 21 4.358 2.875 5.419 208 HD12 ILE 21 1HD1 ILE 21 5.256 4.303 5.983 209 HD13 ILE 21 2HD1 ILE 21 5.654 3.563 4.425 210 H VAL 22 H VAL 22 4.445 -0.227 8.908 211 HA VAL 22 HA VAL 22 5.051 0.081 11.734 212 HB VAL 22 HB VAL 22 2.846 -1.527 10.398 213 HG11 VAL 22 1HG1 VAL 22 3.154 -0.570 13.279 214 HG12 VAL 22 2HG1 VAL 22 1.664 -1.243 12.581 215 HG13 VAL 22 3HG1 VAL 22 3.095 -2.259 12.713 216 HG21 VAL 22 3HG2 VAL 22 1.497 0.544 11.134 217 HG22 VAL 22 1HG2 VAL 22 3.039 1.348 11.455 218 HG23 VAL 22 2HG2 VAL 22 2.621 0.837 9.806 219 H GLY 23 H GLY 23 5.331 -2.694 9.477 220 HA2 GLY 23 1HA GLY 23 5.776 -4.716 11.327 221 HA3 GLY 23 2HA GLY 23 6.503 -4.656 9.717 222 H GLY 24 H GLY 24 7.955 -2.111 10.480 223 HA2 GLY 24 1HA GLY 24 10.218 -3.270 12.069 224 HA3 GLY 24 2HA GLY 24 10.327 -1.937 10.928 225 H LEU 25 H LEU 25 7.905 -0.559 12.085 226 HA LEU 25 HA LEU 25 9.251 0.760 14.361 227 HB2 LEU 25 1HB LEU 25 6.700 1.398 12.840 228 HB3 LEU 25 2HB LEU 25 7.340 2.373 14.156 229 HG LEU 25 HG LEU 25 8.749 1.883 11.498 230 HD11 LEU 25 1HD1 LEU 25 8.241 4.225 11.064 231 HD12 LEU 25 2HD1 LEU 25 7.473 4.396 12.659 232 HD13 LEU 25 3HD1 LEU 25 6.737 3.361 11.423 233 HD21 LEU 25 3HD2 LEU 25 9.540 3.619 13.876 234 HD22 LEU 25 1HD2 LEU 25 10.287 3.692 12.263 235 HD23 LEU 25 2HD2 LEU 25 10.438 2.224 13.229 236 H VAL 26 H VAL 26 6.660 -1.566 14.059 237 HA VAL 26 HA VAL 26 5.350 -1.014 16.545 238 HB VAL 26 HB VAL 26 4.454 -2.405 14.686 239 HG11 VAL 26 1HG1 VAL 26 6.067 -4.714 15.854 240 HG12 VAL 26 2HG1 VAL 26 4.927 -4.756 14.498 241 HG13 VAL 26 3HG1 VAL 26 6.462 -3.898 14.325 242 HG21 VAL 26 3HG2 VAL 26 4.344 -3.750 17.396 243 HG22 VAL 26 1HG2 VAL 26 3.381 -2.345 16.876 244 HG23 VAL 26 2HG2 VAL 26 3.178 -3.905 16.066 245 H LYS 27 H LYS 27 8.221 -2.884 15.808 246 HA LYS 27 HA LYS 27 8.445 -3.989 18.521 247 HB2 LYS 27 1HB LYS 27 10.228 -5.295 17.711 248 HB3 LYS 27 2HB LYS 27 8.976 -5.280 16.495 249 HG2 LYS 27 1HG LYS 27 10.599 -4.874 15.018 250 HG3 LYS 27 2HG LYS 27 10.583 -3.208 15.593 251 HD2 LYS 27 1HD LYS 27 12.405 -3.745 17.198 252 HD3 LYS 27 2HD LYS 27 12.334 -5.447 16.701 253 HE2 LYS 27 1HE LYS 27 12.814 -4.597 14.308 254 HE3 LYS 27 2HE LYS 27 13.238 -3.052 15.058 255 HZ1 LYS 27 3HZ LYS 27 14.519 -5.678 15.632 256 HZ2 LYS 27 1HZ LYS 27 14.904 -4.286 16.395 257 HZ3 LYS 27 2HZ LYS 27 15.199 -4.454 14.798 258 H LYS 28 H LYS 28 9.784 -1.323 16.859 259 HA LYS 28 HA LYS 28 11.246 0.341 17.211 260 HB2 LYS 28 1HB LYS 28 10.014 0.045 19.953 261 HB3 LYS 28 2HB LYS 28 11.282 1.221 19.664 262 HG2 LYS 28 1HG LYS 28 9.572 1.643 17.481 263 HG3 LYS 28 2HG LYS 28 8.454 1.267 18.797 264 HD2 LYS 28 1HD LYS 28 9.322 3.109 20.130 265 HD3 LYS 28 2HD LYS 28 10.701 3.313 19.046 266 HE2 LYS 28 1HE LYS 28 9.153 5.095 18.663 267 HE3 LYS 28 2HE LYS 28 9.263 4.081 17.225 268 HZ1 LYS 28 3HZ LYS 28 6.953 4.785 17.985 269 HZ2 LYS 28 1HZ LYS 28 7.093 3.712 19.208 270 HZ3 LYS 28 2HZ LYS 28 7.130 3.193 17.652
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