NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | position | program | type |
2775 | 1cky | 4596 | cing | recoord | dress | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 -11.010 -3.724 -6.818 2 2H MET 1 2H MET 1 -9.861 -3.782 -8.063 3 3H MET 1 3H MET 1 -10.881 -5.112 -7.788 4 HA MET 1 HA MET 1 -9.635 -5.916 -6.108 5 1HB MET 1 1HB MET 1 -8.196 -4.585 -8.164 6 2HB MET 1 2HB MET 1 -7.315 -4.302 -6.662 7 1HG MET 1 1HG MET 1 -8.262 -7.050 -6.847 8 2HG MET 1 2HG MET 1 -7.229 -6.626 -8.211 9 1HE MET 1 1HE MET 1 -5.477 -5.006 -7.920 10 2HE MET 1 2HE MET 1 -4.344 -4.868 -6.577 11 3HE MET 1 3HE MET 1 -4.239 -6.238 -7.691 12 HA PRO 2 HA PRO 2 -8.236 -2.236 -3.451 13 1HB PRO 2 1HB PRO 2 -8.502 0.300 -4.432 14 2HB PRO 2 2HB PRO 2 -7.069 -0.702 -4.731 15 1HG PRO 2 1HG PRO 2 -9.311 -0.030 -6.532 16 2HG PRO 2 2HG PRO 2 -7.620 -0.377 -6.910 17 1HD PRO 2 1HD PRO 2 -9.763 -2.138 -7.214 18 2HD PRO 2 2HD PRO 2 -8.043 -2.578 -7.222 19 H GLY 3 H GLY 3 -9.450 0.091 -2.650 20 1HA GLY 3 1HA GLY 3 -12.384 -0.421 -2.874 21 2HA GLY 3 2HA GLY 3 -11.637 -0.191 -1.291 22 H THR 4 H THR 4 -13.485 1.606 -1.621 23 HA THR 4 HA THR 4 -12.377 3.982 -3.002 24 HB THR 4 HB THR 4 -14.797 3.399 -3.252 25 HG1 THR 4 HG1 THR 4 -15.194 5.458 -3.358 26 1HG2 THR 4 1HG2 THR 4 -14.932 2.573 -0.823 27 2HG2 THR 4 2HG2 THR 4 -15.093 4.273 -0.379 28 3HG2 THR 4 3HG2 THR 4 -16.298 3.516 -1.420 29 H ILE 5 H ILE 5 -10.743 3.346 -0.947 30 HA ILE 5 HA ILE 5 -9.907 3.998 1.132 31 HB ILE 5 HB ILE 5 -10.829 6.369 -0.385 32 1HG1 ILE 5 1HG1 ILE 5 -8.151 5.980 0.911 33 2HG1 ILE 5 2HG1 ILE 5 -8.585 4.996 -0.487 34 1HG2 ILE 5 1HG2 ILE 5 -10.239 6.339 2.556 35 2HG2 ILE 5 2HG2 ILE 5 -9.651 7.698 1.598 36 3HG2 ILE 5 3HG2 ILE 5 -11.379 7.345 1.662 37 1HD1 ILE 5 1HD1 ILE 5 -9.317 7.341 -1.488 38 2HD1 ILE 5 2HD1 ILE 5 -8.156 7.952 -0.309 39 3HD1 ILE 5 3HD1 ILE 5 -7.634 6.817 -1.555 40 H LYS 6 H LYS 6 -11.369 2.793 2.401 41 HA LYS 6 HA LYS 6 -12.850 4.278 4.338 42 1HB LYS 6 1HB LYS 6 -14.360 4.385 2.228 43 2HB LYS 6 2HB LYS 6 -14.687 2.683 2.555 44 1HG LYS 6 1HG LYS 6 -16.392 4.075 3.632 45 2HG LYS 6 2HG LYS 6 -15.401 3.285 4.858 46 1HD LYS 6 1HD LYS 6 -14.379 5.904 3.955 47 2HD LYS 6 2HD LYS 6 -15.921 5.969 4.810 48 1HE LYS 6 1HE LYS 6 -14.998 5.271 6.802 49 2HE LYS 6 2HE LYS 6 -13.802 4.233 5.999 50 1HZ LYS 6 1HZ LYS 6 -12.826 6.372 5.111 51 2HZ LYS 6 2HZ LYS 6 -13.777 7.185 6.260 52 3HZ LYS 6 3HZ LYS 6 -12.591 6.079 6.765 53 H GLU 7 H GLU 7 -11.645 2.858 5.693 54 HA GLU 7 HA GLU 7 -11.321 0.918 6.972 55 1HB GLU 7 1HB GLU 7 -13.904 1.229 7.038 56 2HB GLU 7 2HB GLU 7 -13.938 -0.112 5.893 57 1HG GLU 7 1HG GLU 7 -12.448 -1.372 7.554 58 2HG GLU 7 2HG GLU 7 -12.849 -0.103 8.712 59 H ASN 8 H ASN 8 -9.676 0.553 5.125 60 HA ASN 8 HA ASN 8 -10.178 -2.157 4.030 61 1HB ASN 8 1HB ASN 8 -10.399 0.128 2.431 62 2HB ASN 8 2HB ASN 8 -8.781 -0.488 2.096 63 1HD2 ASN 8 2HD2 ASN 8 -11.906 -0.755 1.018 64 2HD2 ASN 8 1HD2 ASN 8 -11.861 -2.335 0.397 65 H ILE 9 H ILE 9 -8.584 -1.803 6.169 66 HA ILE 9 HA ILE 9 -5.899 -1.024 5.693 67 HB ILE 9 HB ILE 9 -7.206 -2.871 7.661 68 1HG1 ILE 9 1HG1 ILE 9 -5.697 -1.062 9.020 69 2HG1 ILE 9 2HG1 ILE 9 -6.055 -0.147 7.555 70 1HG2 ILE 9 1HG2 ILE 9 -4.247 -2.535 7.122 71 2HG2 ILE 9 2HG2 ILE 9 -4.858 -3.048 8.696 72 3HG2 ILE 9 3HG2 ILE 9 -5.162 -4.036 7.267 73 1HD1 ILE 9 1HD1 ILE 9 -8.421 -1.535 8.440 74 2HD1 ILE 9 2HD1 ILE 9 -7.766 -0.570 9.763 75 3HD1 ILE 9 3HD1 ILE 9 -8.171 0.198 8.227 76 H ILE 10 H ILE 10 -7.616 -3.696 4.500 77 HA ILE 10 HA ILE 10 -5.888 -5.824 4.373 78 HB ILE 10 HB ILE 10 -7.104 -4.831 1.800 79 1HG1 ILE 10 1HG1 ILE 10 -8.904 -4.402 3.266 80 2HG1 ILE 10 2HG1 ILE 10 -9.214 -6.045 2.713 81 1HG2 ILE 10 1HG2 ILE 10 -6.701 -7.528 3.119 82 2HG2 ILE 10 2HG2 ILE 10 -7.654 -7.298 1.653 83 3HG2 ILE 10 3HG2 ILE 10 -5.930 -6.928 1.650 84 1HD1 ILE 10 1HD1 ILE 10 -7.582 -6.466 4.896 85 2HD1 ILE 10 2HD1 ILE 10 -8.539 -5.075 5.405 86 3HD1 ILE 10 3HD1 ILE 10 -9.342 -6.567 4.918 87 H PHE 11 H PHE 11 -4.210 -6.429 2.725 88 HA PHE 11 HA PHE 11 -2.196 -4.427 2.514 89 1HB PHE 11 1HB PHE 11 -2.487 -7.089 1.088 90 2HB PHE 11 2HB PHE 11 -1.009 -6.152 1.228 91 HD1 PHE 11 HD1 PHE 11 -0.274 -5.488 3.652 92 HD2 PHE 11 HD2 PHE 11 -2.986 -8.688 2.733 93 HE1 PHE 11 HE1 PHE 11 0.172 -6.500 5.871 94 HE2 PHE 11 HE2 PHE 11 -2.540 -9.703 4.952 95 HZ PHE 11 HZ PHE 11 -0.961 -8.609 6.521 96 H GLY 12 H GLY 12 -4.287 -3.165 1.418 97 1HA GLY 12 1HA GLY 12 -3.496 -2.993 -1.451 98 2HA GLY 12 2HA GLY 12 -5.198 -3.258 -1.087 99 H VAL 13 H VAL 13 -3.988 -1.376 1.385 100 HA VAL 13 HA VAL 13 -5.191 1.024 0.175 101 HB VAL 13 HB VAL 13 -5.825 0.327 2.477 102 1HG1 VAL 13 1HG1 VAL 13 -2.975 0.050 2.684 103 2HG1 VAL 13 2HG1 VAL 13 -3.520 1.216 3.890 104 3HG1 VAL 13 3HG1 VAL 13 -4.208 -0.408 3.860 105 1HG2 VAL 13 1HG2 VAL 13 -4.930 2.904 1.603 106 2HG2 VAL 13 2HG2 VAL 13 -6.200 2.524 2.768 107 3HG2 VAL 13 3HG2 VAL 13 -4.534 2.724 3.312 108 H SER 14 H SER 14 -2.610 0.069 -0.759 109 HA SER 14 HA SER 14 -0.396 0.825 -1.103 110 1HB SER 14 1HB SER 14 -1.364 2.500 -2.435 111 2HB SER 14 2HB SER 14 -2.145 3.275 -1.059 112 HG SER 14 HG SER 14 0.630 3.198 -1.663 113 H TYR 15 H TYR 15 0.695 0.206 0.808 114 HA TYR 15 HA TYR 15 0.555 2.006 3.138 115 1HB TYR 15 1HB TYR 15 1.225 -0.760 2.700 116 2HB TYR 15 2HB TYR 15 2.556 0.045 3.532 117 HD1 TYR 15 HD1 TYR 15 1.560 1.903 5.334 118 HD2 TYR 15 HD2 TYR 15 -0.306 -1.772 4.126 119 HE1 TYR 15 HE1 TYR 15 0.263 1.868 7.448 120 HE2 TYR 15 HE2 TYR 15 -1.604 -1.807 6.239 121 HH TYR 15 HH TYR 15 -1.172 -0.739 8.678 122 H ASP 16 H ASP 16 1.707 2.964 0.644 123 HA ASP 16 HA ASP 16 3.758 3.808 -0.248 124 1HB ASP 16 1HB ASP 16 2.784 5.600 1.103 125 2HB ASP 16 2HB ASP 16 3.557 4.955 2.551 126 H GLU 17 H GLU 17 4.255 1.215 0.734 127 HA GLU 17 HA GLU 17 7.100 1.448 1.331 128 1HB GLU 17 1HB GLU 17 6.361 1.614 3.597 129 2HB GLU 17 2HB GLU 17 5.155 0.349 3.360 130 1HG GLU 17 1HG GLU 17 6.867 -1.339 3.128 131 2HG GLU 17 2HG GLU 17 8.139 -0.117 3.111 132 H TYR 18 H TYR 18 4.281 -0.591 0.939 133 HA TYR 18 HA TYR 18 5.398 -3.102 0.632 134 1HB TYR 18 1HB TYR 18 3.021 -1.763 -0.368 135 2HB TYR 18 2HB TYR 18 3.634 -2.944 -1.526 136 HD1 TYR 18 HD1 TYR 18 3.666 -2.888 2.220 137 HD2 TYR 18 HD2 TYR 18 2.335 -4.881 -1.343 138 HE1 TYR 18 HE1 TYR 18 2.726 -4.723 3.598 139 HE2 TYR 18 HE2 TYR 18 1.395 -6.717 0.034 140 HH TYR 18 HH TYR 18 2.133 -7.101 3.331 141 H ARG 19 H ARG 19 5.046 -0.743 -1.969 142 HA ARG 19 HA ARG 19 7.457 -1.958 -3.236 143 1HB ARG 19 1HB ARG 19 5.268 -2.573 -4.390 144 2HB ARG 19 2HB ARG 19 5.104 -0.864 -4.791 145 1HG ARG 19 1HG ARG 19 6.958 -0.879 -6.209 146 2HG ARG 19 2HG ARG 19 7.663 -2.299 -5.434 147 1HD ARG 19 1HD ARG 19 6.609 -2.677 -7.738 148 2HD ARG 19 2HD ARG 19 6.084 -3.763 -6.452 149 HE ARG 19 HE ARG 19 4.440 -1.348 -6.985 150 1HH1 ARG 19 1HH1 ARG 19 4.896 -4.395 -8.298 151 2HH1 ARG 19 2HH1 ARG 19 3.266 -4.933 -8.070 152 1HH2 ARG 19 1HH2 ARG 19 2.341 -2.186 -6.170 153 2HH2 ARG 19 2HH2 ARG 19 1.820 -3.682 -6.870 154 H TYR 20 H TYR 20 7.128 0.369 -1.506 155 HA TYR 20 HA TYR 20 8.127 2.439 -3.402 156 1HB TYR 20 1HB TYR 20 6.552 3.041 -0.895 157 2HB TYR 20 2HB TYR 20 6.987 4.156 -2.188 158 HD1 TYR 20 HD1 TYR 20 6.227 3.316 -4.628 159 HD2 TYR 20 HD2 TYR 20 4.387 2.183 -0.917 160 HE1 TYR 20 HE1 TYR 20 4.145 2.731 -5.840 161 HE2 TYR 20 HE2 TYR 20 2.303 1.600 -2.128 162 HH TYR 20 HH TYR 20 1.254 2.433 -4.484 163 H ARG 21 H ARG 21 8.677 0.597 -0.596 164 HA ARG 21 HA ARG 21 11.028 2.335 0.031 165 1HB ARG 21 1HB ARG 21 8.862 1.856 1.736 166 2HB ARG 21 2HB ARG 21 10.124 0.764 2.309 167 1HG ARG 21 1HG ARG 21 11.440 2.469 3.032 168 2HG ARG 21 2HG ARG 21 11.081 3.465 1.621 169 1HD ARG 21 1HD ARG 21 8.863 4.007 2.583 170 2HD ARG 21 2HD ARG 21 9.259 3.048 4.009 171 HE ARG 21 HE ARG 21 11.315 4.763 4.058 172 1HH1 ARG 21 1HH1 ARG 21 7.931 5.081 4.138 173 2HH1 ARG 21 2HH1 ARG 21 7.942 6.805 4.311 174 1HH2 ARG 21 1HH2 ARG 21 11.374 7.091 3.910 175 2HH2 ARG 21 2HH2 ARG 21 9.890 7.942 4.182 176 H SER 22 H SER 22 11.379 0.364 -1.766 177 HA SER 22 HA SER 22 13.413 -1.263 -0.668 178 1HB SER 22 1HB SER 22 11.798 -2.539 0.537 179 2HB SER 22 2HB SER 22 10.687 -2.561 -0.830 180 HG SER 22 HG SER 22 12.029 -4.506 -0.424 181 H VAL 23 H VAL 23 12.996 0.275 -3.000 182 HA VAL 23 HA VAL 23 13.404 -1.831 -5.064 183 HB VAL 23 HB VAL 23 11.660 0.628 -5.423 184 1HG1 VAL 23 1HG1 VAL 23 13.179 -0.534 -7.338 185 2HG1 VAL 23 2HG1 VAL 23 11.754 -1.569 -7.422 186 3HG1 VAL 23 3HG1 VAL 23 11.597 0.170 -7.668 187 1HG2 VAL 23 1HG2 VAL 23 11.000 -1.799 -4.254 188 2HG2 VAL 23 2HG2 VAL 23 9.858 -0.687 -5.006 189 3HG2 VAL 23 3HG2 VAL 23 10.523 -2.030 -5.935 190 H ILE 24 H ILE 24 13.426 1.738 -4.655 191 HA ILE 24 HA ILE 24 16.110 1.720 -5.979 192 HB ILE 24 HB ILE 24 14.248 4.092 -5.943 193 1HG1 ILE 24 1HG1 ILE 24 13.992 3.100 -8.466 194 2HG1 ILE 24 2HG1 ILE 24 14.078 1.601 -7.540 195 1HG2 ILE 24 1HG2 ILE 24 16.597 3.206 -7.638 196 2HG2 ILE 24 2HG2 ILE 24 15.574 4.583 -8.045 197 3HG2 ILE 24 3HG2 ILE 24 16.522 4.597 -6.557 198 1HD1 ILE 24 1HD1 ILE 24 12.366 2.923 -5.967 199 2HD1 ILE 24 2HD1 ILE 24 12.008 3.750 -7.483 200 3HD1 ILE 24 3HD1 ILE 24 11.814 2.001 -7.365 201 H LYS 25 H LYS 25 15.876 1.332 -3.203 202 HA LYS 25 HA LYS 25 17.171 3.823 -2.235 203 1HB LYS 25 1HB LYS 25 14.664 3.717 -1.610 204 2HB LYS 25 2HB LYS 25 15.126 2.405 -0.525 205 1HG LYS 25 1HG LYS 25 16.310 3.798 0.880 206 2HG LYS 25 2HG LYS 25 16.747 4.909 -0.418 207 1HD LYS 25 1HD LYS 25 15.080 6.261 0.265 208 2HD LYS 25 2HD LYS 25 13.937 5.019 -0.242 209 1HE LYS 25 1HE LYS 25 14.031 3.972 1.976 210 2HE LYS 25 2HE LYS 25 15.246 5.156 2.499 211 1HZ LYS 25 1HZ LYS 25 12.930 6.331 1.248 212 2HZ LYS 25 2HZ LYS 25 12.569 5.510 2.691 213 3HZ LYS 25 3HZ LYS 25 13.714 6.760 2.693 214 H ALA 26 H ALA 26 18.512 1.518 -2.956 215 HA ALA 26 HA ALA 26 20.086 -0.006 -2.119 216 1HB ALA 26 1HB ALA 26 19.597 1.813 0.224 217 2HB ALA 26 2HB ALA 26 20.602 0.378 0.424 218 3HB ALA 26 3HB ALA 26 21.059 1.618 -0.744 Start of MODEL 2 1 1H MET 1 1H MET 1 -12.576 -0.508 -8.702 2 2H MET 1 2H MET 1 -11.469 -0.693 -9.972 3 3H MET 1 3H MET 1 -11.349 -1.677 -8.592 4 HA MET 1 HA MET 1 -9.673 -0.085 -8.281 5 1HB MET 1 1HB MET 1 -11.608 1.399 -9.883 6 2HB MET 1 2HB MET 1 -10.956 2.389 -8.577 7 1HG MET 1 1HG MET 1 -9.403 2.711 -10.317 8 2HG MET 1 2HG MET 1 -8.644 1.462 -9.330 9 1HE MET 1 1HE MET 1 -8.272 -0.496 -9.617 10 2HE MET 1 2HE MET 1 -9.034 -1.675 -10.681 11 3HE MET 1 3HE MET 1 -7.556 -0.848 -11.188 12 HA PRO 2 HA PRO 2 -11.257 0.427 -4.207 13 1HB PRO 2 1HB PRO 2 -9.148 1.763 -3.101 14 2HB PRO 2 2HB PRO 2 -9.110 0.026 -3.461 15 1HG PRO 2 1HG PRO 2 -7.931 2.296 -4.969 16 2HG PRO 2 2HG PRO 2 -7.310 0.658 -4.722 17 1HD PRO 2 1HD PRO 2 -8.522 1.514 -7.030 18 2HD PRO 2 2HD PRO 2 -8.455 -0.182 -6.505 19 H GLY 3 H GLY 3 -9.481 3.307 -5.245 20 1HA GLY 3 1HA GLY 3 -10.519 5.458 -5.704 21 2HA GLY 3 2HA GLY 3 -11.918 4.937 -4.767 22 H THR 4 H THR 4 -11.680 6.993 -3.620 23 HA THR 4 HA THR 4 -9.318 7.308 -1.888 24 HB THR 4 HB THR 4 -10.301 9.320 -2.890 25 HG1 THR 4 HG1 THR 4 -10.621 10.465 -0.936 26 1HG2 THR 4 1HG2 THR 4 -12.753 8.014 -2.091 27 2HG2 THR 4 2HG2 THR 4 -12.693 9.651 -1.436 28 3HG2 THR 4 3HG2 THR 4 -12.531 9.389 -3.173 29 H ILE 5 H ILE 5 -10.434 4.962 -1.237 30 HA ILE 5 HA ILE 5 -12.515 5.134 0.751 31 HB ILE 5 HB ILE 5 -10.476 2.983 0.158 32 1HG1 ILE 5 1HG1 ILE 5 -13.379 3.430 -0.580 33 2HG1 ILE 5 2HG1 ILE 5 -12.005 3.257 -1.671 34 1HG2 ILE 5 1HG2 ILE 5 -12.029 3.312 2.485 35 2HG2 ILE 5 2HG2 ILE 5 -12.880 2.107 1.519 36 3HG2 ILE 5 3HG2 ILE 5 -11.194 1.847 1.967 37 1HD1 ILE 5 1HD1 ILE 5 -11.684 0.925 -0.704 38 2HD1 ILE 5 2HD1 ILE 5 -13.252 1.130 0.078 39 3HD1 ILE 5 3HD1 ILE 5 -13.136 1.146 -1.681 40 H LYS 6 H LYS 6 -9.037 5.311 0.858 41 HA LYS 6 HA LYS 6 -7.565 5.749 2.631 42 1HB LYS 6 1HB LYS 6 -10.034 6.912 3.954 43 2HB LYS 6 2HB LYS 6 -8.355 7.281 4.351 44 1HG LYS 6 1HG LYS 6 -8.191 8.777 2.673 45 2HG LYS 6 2HG LYS 6 -8.918 7.662 1.514 46 1HD LYS 6 1HD LYS 6 -10.988 8.554 1.770 47 2HD LYS 6 2HD LYS 6 -10.799 8.721 3.515 48 1HE LYS 6 1HE LYS 6 -9.352 10.720 3.147 49 2HE LYS 6 2HE LYS 6 -9.646 10.580 1.402 50 1HZ LYS 6 1HZ LYS 6 -11.994 10.446 3.107 51 2HZ LYS 6 2HZ LYS 6 -11.234 11.960 3.037 52 3HZ LYS 6 3HZ LYS 6 -11.782 11.220 1.610 53 H GLU 7 H GLU 7 -9.225 3.319 2.508 54 HA GLU 7 HA GLU 7 -8.745 2.421 5.300 55 1HB GLU 7 1HB GLU 7 -11.312 2.904 4.330 56 2HB GLU 7 2HB GLU 7 -11.107 1.163 4.125 57 1HG GLU 7 1HG GLU 7 -11.012 0.772 6.374 58 2HG GLU 7 2HG GLU 7 -10.145 2.274 6.700 59 H ASN 8 H ASN 8 -6.869 1.745 3.735 60 HA ASN 8 HA ASN 8 -7.343 -0.486 1.956 61 1HB ASN 8 1HB ASN 8 -5.101 1.168 2.753 62 2HB ASN 8 2HB ASN 8 -4.649 -0.537 2.777 63 1HD2 ASN 8 2HD2 ASN 8 -4.206 -1.497 0.766 64 2HD2 ASN 8 1HD2 ASN 8 -4.575 -0.794 -0.735 65 H ILE 9 H ILE 9 -8.664 -1.260 4.049 66 HA ILE 9 HA ILE 9 -7.942 -2.428 6.315 67 HB ILE 9 HB ILE 9 -9.371 -3.785 4.037 68 1HG1 ILE 9 1HG1 ILE 9 -11.216 -3.428 5.926 69 2HG1 ILE 9 2HG1 ILE 9 -10.093 -2.174 6.452 70 1HG2 ILE 9 1HG2 ILE 9 -8.323 -4.977 6.465 71 2HG2 ILE 9 2HG2 ILE 9 -10.085 -5.041 6.452 72 3HG2 ILE 9 3HG2 ILE 9 -9.166 -5.750 5.123 73 1HD1 ILE 9 1HD1 ILE 9 -10.368 -2.049 3.593 74 2HD1 ILE 9 2HD1 ILE 9 -11.971 -2.030 4.328 75 3HD1 ILE 9 3HD1 ILE 9 -10.773 -0.819 4.790 76 H ILE 10 H ILE 10 -7.778 -5.000 4.002 77 HA ILE 10 HA ILE 10 -6.170 -6.671 3.706 78 HB ILE 10 HB ILE 10 -4.528 -4.151 3.917 79 1HG1 ILE 10 1HG1 ILE 10 -4.196 -4.838 1.442 80 2HG1 ILE 10 2HG1 ILE 10 -5.530 -5.961 1.722 81 1HG2 ILE 10 1HG2 ILE 10 -3.574 -6.965 3.298 82 2HG2 ILE 10 2HG2 ILE 10 -2.618 -5.504 3.052 83 3HG2 ILE 10 3HG2 ILE 10 -3.092 -5.983 4.681 84 1HD1 ILE 10 1HD1 ILE 10 -6.216 -3.384 2.803 85 2HD1 ILE 10 2HD1 ILE 10 -5.712 -3.199 1.124 86 3HD1 ILE 10 3HD1 ILE 10 -7.028 -4.299 1.533 87 H PHE 11 H PHE 11 -4.246 -7.732 4.870 88 HA PHE 11 HA PHE 11 -4.835 -7.751 7.724 89 1HB PHE 11 1HB PHE 11 -2.565 -9.350 7.303 90 2HB PHE 11 2HB PHE 11 -4.225 -9.906 7.453 91 HD1 PHE 11 HD1 PHE 11 -1.744 -8.630 4.967 92 HD2 PHE 11 HD2 PHE 11 -5.315 -10.921 5.637 93 HE1 PHE 11 HE1 PHE 11 -1.715 -9.368 2.600 94 HE2 PHE 11 HE2 PHE 11 -5.288 -11.658 3.271 95 HZ PHE 11 HZ PHE 11 -3.487 -10.883 1.751 96 H GLY 12 H GLY 12 -3.990 -5.314 7.291 97 1HA GLY 12 1HA GLY 12 -2.457 -3.798 8.262 98 2HA GLY 12 2HA GLY 12 -1.520 -5.177 8.826 99 H VAL 13 H VAL 13 -2.424 -3.612 5.828 100 HA VAL 13 HA VAL 13 -0.266 -4.647 4.259 101 HB VAL 13 HB VAL 13 -2.404 -3.681 3.370 102 1HG1 VAL 13 1HG1 VAL 13 -2.120 -1.690 5.039 103 2HG1 VAL 13 2HG1 VAL 13 -1.118 -0.990 3.767 104 3HG1 VAL 13 3HG1 VAL 13 -2.810 -1.371 3.448 105 1HG2 VAL 13 1HG2 VAL 13 0.121 -3.664 2.275 106 2HG2 VAL 13 2HG2 VAL 13 -1.355 -3.267 1.395 107 3HG2 VAL 13 3HG2 VAL 13 -0.368 -1.980 2.090 108 H SER 14 H SER 14 0.837 -3.561 6.678 109 HA SER 14 HA SER 14 2.148 -1.041 5.924 110 1HB SER 14 1HB SER 14 3.333 -2.005 8.258 111 2HB SER 14 2HB SER 14 2.032 -0.823 8.171 112 HG SER 14 HG SER 14 0.568 -2.399 8.515 113 H TYR 15 H TYR 15 2.661 -3.339 4.270 114 HA TYR 15 HA TYR 15 5.561 -3.337 4.339 115 1HB TYR 15 1HB TYR 15 5.508 -5.959 4.306 116 2HB TYR 15 2HB TYR 15 5.479 -5.123 5.856 117 HD1 TYR 15 HD1 TYR 15 2.912 -5.934 3.227 118 HD2 TYR 15 HD2 TYR 15 4.023 -6.121 7.373 119 HE1 TYR 15 HE1 TYR 15 0.745 -7.014 3.761 120 HE2 TYR 15 HE2 TYR 15 1.858 -7.203 7.903 121 HH TYR 15 HH TYR 15 0.136 -8.686 6.428 122 H ASP 16 H ASP 16 3.348 -2.621 2.599 123 HA ASP 16 HA ASP 16 4.347 -3.823 0.147 124 1HB ASP 16 1HB ASP 16 2.453 -5.354 1.229 125 2HB ASP 16 2HB ASP 16 1.393 -4.155 0.486 126 H GLU 17 H GLU 17 4.069 -1.223 1.394 127 HA GLU 17 HA GLU 17 2.526 0.133 -0.760 128 1HB GLU 17 1HB GLU 17 1.999 0.214 2.080 129 2HB GLU 17 2HB GLU 17 2.440 1.819 1.499 130 1HG GLU 17 1HG GLU 17 0.775 1.164 -0.478 131 2HG GLU 17 2HG GLU 17 0.100 0.116 0.770 132 H TYR 18 H TYR 18 5.062 0.271 1.633 133 HA TYR 18 HA TYR 18 6.236 2.659 0.318 134 1HB TYR 18 1HB TYR 18 7.764 2.708 2.253 135 2HB TYR 18 2HB TYR 18 6.083 2.665 2.782 136 HD1 TYR 18 HD1 TYR 18 5.104 0.618 3.728 137 HD2 TYR 18 HD2 TYR 18 9.233 0.796 2.560 138 HE1 TYR 18 HE1 TYR 18 5.552 -1.469 4.994 139 HE2 TYR 18 HE2 TYR 18 9.682 -1.290 3.826 140 HH TYR 18 HH TYR 18 7.055 -3.028 5.493 141 H ARG 19 H ARG 19 6.473 -0.703 0.218 142 HA ARG 19 HA ARG 19 9.214 -0.499 -0.967 143 1HB ARG 19 1HB ARG 19 9.037 -1.852 1.177 144 2HB ARG 19 2HB ARG 19 8.016 -2.982 0.287 145 1HG ARG 19 1HG ARG 19 9.789 -3.468 -1.275 146 2HG ARG 19 2HG ARG 19 10.795 -2.180 -0.613 147 1HD ARG 19 1HD ARG 19 11.658 -4.132 0.397 148 2HD ARG 19 2HD ARG 19 10.593 -3.458 1.632 149 HE ARG 19 HE ARG 19 9.609 -5.599 -0.203 150 1HH1 ARG 19 1HH1 ARG 19 9.024 -3.911 2.618 151 2HH1 ARG 19 2HH1 ARG 19 8.707 -5.300 3.602 152 1HH2 ARG 19 1HH2 ARG 19 9.726 -7.571 1.186 153 2HH2 ARG 19 2HH2 ARG 19 9.105 -7.374 2.791 154 H TYR 20 H TYR 20 6.772 -0.053 -2.364 155 HA TYR 20 HA TYR 20 7.057 -2.101 -4.449 156 1HB TYR 20 1HB TYR 20 4.500 -1.587 -2.939 157 2HB TYR 20 2HB TYR 20 4.497 -2.256 -4.570 158 HD1 TYR 20 HD1 TYR 20 5.727 -2.800 -1.106 159 HD2 TYR 20 HD2 TYR 20 5.080 -4.537 -4.979 160 HE1 TYR 20 HE1 TYR 20 6.229 -5.046 -0.182 161 HE2 TYR 20 HE2 TYR 20 5.580 -6.784 -4.056 162 HH TYR 20 HH TYR 20 5.895 -7.966 -2.166 163 H ARG 21 H ARG 21 5.503 0.835 -3.337 164 HA ARG 21 HA ARG 21 5.210 1.786 -6.125 165 1HB ARG 21 1HB ARG 21 3.904 2.338 -3.574 166 2HB ARG 21 2HB ARG 21 4.402 3.821 -4.382 167 1HG ARG 21 1HG ARG 21 3.096 3.368 -6.291 168 2HG ARG 21 2HG ARG 21 2.966 1.651 -5.902 169 1HD ARG 21 1HD ARG 21 1.855 2.822 -3.675 170 2HD ARG 21 2HD ARG 21 1.338 3.915 -4.958 171 HE ARG 21 HE ARG 21 0.920 1.085 -5.578 172 1HH1 ARG 21 1HH1 ARG 21 -0.543 3.955 -5.924 173 2HH1 ARG 21 2HH1 ARG 21 -2.092 3.507 -5.289 174 1HH2 ARG 21 1HH2 ARG 21 -0.981 0.490 -3.989 175 2HH2 ARG 21 2HH2 ARG 21 -2.341 1.543 -4.199 176 H SER 22 H SER 22 7.790 1.385 -4.840 177 HA SER 22 HA SER 22 9.317 3.488 -5.752 178 1HB SER 22 1HB SER 22 9.771 4.622 -3.428 179 2HB SER 22 2HB SER 22 8.382 5.139 -4.378 180 HG SER 22 HG SER 22 8.122 2.994 -2.584 181 H VAL 23 H VAL 23 9.913 0.954 -5.741 182 HA VAL 23 HA VAL 23 10.990 -0.439 -3.642 183 HB VAL 23 HB VAL 23 11.079 -1.450 -5.782 184 1HG1 VAL 23 1HG1 VAL 23 11.927 1.183 -6.589 185 2HG1 VAL 23 2HG1 VAL 23 13.044 -0.020 -7.232 186 3HG1 VAL 23 3HG1 VAL 23 11.321 -0.135 -7.589 187 1HG2 VAL 23 1HG2 VAL 23 13.147 -1.696 -4.199 188 2HG2 VAL 23 2HG2 VAL 23 13.256 -2.307 -5.849 189 3HG2 VAL 23 3HG2 VAL 23 13.983 -0.756 -5.434 190 H ILE 24 H ILE 24 12.318 2.494 -5.061 191 HA ILE 24 HA ILE 24 14.671 2.226 -3.254 192 HB ILE 24 HB ILE 24 14.351 4.300 -5.425 193 1HG1 ILE 24 1HG1 ILE 24 16.021 2.417 -6.493 194 2HG1 ILE 24 2HG1 ILE 24 14.868 1.394 -5.635 195 1HG2 ILE 24 1HG2 ILE 24 16.243 3.897 -3.426 196 2HG2 ILE 24 2HG2 ILE 24 16.985 3.167 -4.850 197 3HG2 ILE 24 3HG2 ILE 24 16.478 4.855 -4.889 198 1HD1 ILE 24 1HD1 ILE 24 13.013 2.681 -6.758 199 2HD1 ILE 24 2HD1 ILE 24 14.239 3.493 -7.728 200 3HD1 ILE 24 3HD1 ILE 24 14.015 1.749 -7.869 201 H LYS 25 H LYS 25 11.962 2.982 -2.431 202 HA LYS 25 HA LYS 25 11.026 4.501 -0.903 203 1HB LYS 25 1HB LYS 25 13.561 4.406 -0.152 204 2HB LYS 25 2HB LYS 25 13.595 6.042 -0.809 205 1HG LYS 25 1HG LYS 25 11.215 5.777 0.749 206 2HG LYS 25 2HG LYS 25 12.563 5.172 1.713 207 1HD LYS 25 1HD LYS 25 13.205 7.636 0.253 208 2HD LYS 25 2HD LYS 25 11.892 7.837 1.414 209 1HE LYS 25 1HE LYS 25 13.753 6.283 2.798 210 2HE LYS 25 2HE LYS 25 14.743 7.469 1.923 211 1HZ LYS 25 1HZ LYS 25 12.255 8.274 3.298 212 2HZ LYS 25 2HZ LYS 25 13.724 8.184 4.147 213 3HZ LYS 25 3HZ LYS 25 13.565 9.242 2.826 214 H ALA 26 H ALA 26 13.364 6.392 -2.867 215 HA ALA 26 HA ALA 26 11.086 7.882 -4.037 216 1HB ALA 26 1HB ALA 26 13.009 8.961 -2.060 217 2HB ALA 26 2HB ALA 26 12.748 9.967 -3.484 218 3HB ALA 26 3HB ALA 26 11.383 9.511 -2.466 Start of MODEL 3 1 1H MET 1 1H MET 1 -14.588 0.414 -5.179 2 2H MET 1 2H MET 1 -14.502 -0.862 -6.291 3 3H MET 1 3H MET 1 -14.542 -1.191 -4.625 4 HA MET 1 HA MET 1 -12.348 -0.896 -4.375 5 1HB MET 1 1HB MET 1 -13.015 -1.431 -7.201 6 2HB MET 1 2HB MET 1 -11.378 -0.825 -6.951 7 1HG MET 1 1HG MET 1 -10.723 -2.817 -6.139 8 2HG MET 1 2HG MET 1 -11.995 -2.771 -4.919 9 1HE MET 1 1HE MET 1 -12.250 -5.026 -4.757 10 2HE MET 1 2HE MET 1 -13.953 -4.605 -4.933 11 3HE MET 1 3HE MET 1 -13.296 -6.020 -5.769 12 HA PRO 2 HA PRO 2 -11.267 3.164 -6.623 13 1HB PRO 2 1HB PRO 2 -13.132 4.279 -8.280 14 2HB PRO 2 2HB PRO 2 -11.946 3.082 -8.832 15 1HG PRO 2 1HG PRO 2 -14.824 2.749 -8.219 16 2HG PRO 2 2HG PRO 2 -13.821 1.929 -9.423 17 1HD PRO 2 1HD PRO 2 -14.605 0.859 -6.993 18 2HD PRO 2 2HD PRO 2 -13.246 0.279 -7.979 19 H GLY 3 H GLY 3 -12.273 5.584 -6.607 20 1HA GLY 3 1HA GLY 3 -13.648 7.182 -5.508 21 2HA GLY 3 2HA GLY 3 -14.572 5.856 -4.799 22 H THR 4 H THR 4 -14.243 7.451 -2.883 23 HA THR 4 HA THR 4 -11.603 6.980 -1.577 24 HB THR 4 HB THR 4 -12.514 9.346 -1.846 25 HG1 THR 4 HG1 THR 4 -12.073 8.329 0.764 26 1HG2 THR 4 1HG2 THR 4 -14.865 8.282 -1.030 27 2HG2 THR 4 2HG2 THR 4 -14.257 8.886 0.510 28 3HG2 THR 4 3HG2 THR 4 -14.468 9.990 -0.848 29 H ILE 5 H ILE 5 -13.406 4.810 -1.647 30 HA ILE 5 HA ILE 5 -14.614 4.767 1.065 31 HB ILE 5 HB ILE 5 -14.894 2.951 -1.335 32 1HG1 ILE 5 1HG1 ILE 5 -17.357 3.831 -0.186 33 2HG1 ILE 5 2HG1 ILE 5 -16.305 5.238 -0.344 34 1HG2 ILE 5 1HG2 ILE 5 -15.497 2.490 1.543 35 2HG2 ILE 5 2HG2 ILE 5 -16.735 1.998 0.386 36 3HG2 ILE 5 3HG2 ILE 5 -15.107 1.330 0.274 37 1HD1 ILE 5 1HD1 ILE 5 -16.436 3.333 -2.642 38 2HD1 ILE 5 2HD1 ILE 5 -17.813 4.403 -2.380 39 3HD1 ILE 5 3HD1 ILE 5 -16.207 5.081 -2.647 40 H LYS 6 H LYS 6 -12.051 3.435 -0.831 41 HA LYS 6 HA LYS 6 -10.385 1.850 -0.327 42 1HB LYS 6 1HB LYS 6 -10.659 3.144 2.402 43 2HB LYS 6 2HB LYS 6 -9.232 2.329 1.760 44 1HG LYS 6 1HG LYS 6 -10.492 4.784 0.504 45 2HG LYS 6 2HG LYS 6 -9.107 4.830 1.595 46 1HD LYS 6 1HD LYS 6 -8.853 2.911 -0.635 47 2HD LYS 6 2HD LYS 6 -8.904 4.606 -1.121 48 1HE LYS 6 1HE LYS 6 -6.920 5.122 -0.025 49 2HE LYS 6 2HE LYS 6 -7.135 3.838 1.181 50 1HZ LYS 6 1HZ LYS 6 -7.084 2.404 -1.051 51 2HZ LYS 6 2HZ LYS 6 -6.065 3.680 -1.521 52 3HZ LYS 6 3HZ LYS 6 -5.690 2.749 -0.151 53 H GLU 7 H GLU 7 -12.464 0.322 -0.451 54 HA GLU 7 HA GLU 7 -12.980 -0.940 2.175 55 1HB GLU 7 1HB GLU 7 -14.810 -0.498 0.417 56 2HB GLU 7 2HB GLU 7 -14.097 -1.833 -0.488 57 1HG GLU 7 1HG GLU 7 -14.674 -3.414 1.124 58 2HG GLU 7 2HG GLU 7 -14.750 -2.215 2.417 59 H ASN 8 H ASN 8 -10.369 -1.047 0.886 60 HA ASN 8 HA ASN 8 -10.099 -4.016 0.790 61 1HB ASN 8 1HB ASN 8 -9.947 -2.552 -1.495 62 2HB ASN 8 2HB ASN 8 -8.269 -2.465 -0.958 63 1HD2 ASN 8 2HD2 ASN 8 -10.852 -4.997 -1.159 64 2HD2 ASN 8 1HD2 ASN 8 -9.815 -6.204 -1.752 65 H ILE 9 H ILE 9 -9.652 -2.279 2.987 66 HA ILE 9 HA ILE 9 -6.929 -1.453 3.234 67 HB ILE 9 HB ILE 9 -8.904 -2.261 5.377 68 1HG1 ILE 9 1HG1 ILE 9 -9.534 -0.407 3.722 69 2HG1 ILE 9 2HG1 ILE 9 -9.554 0.031 5.428 70 1HG2 ILE 9 1HG2 ILE 9 -6.339 -0.644 5.489 71 2HG2 ILE 9 2HG2 ILE 9 -7.483 -0.807 6.822 72 3HG2 ILE 9 3HG2 ILE 9 -6.611 -2.220 6.230 73 1HD1 ILE 9 1HD1 ILE 9 -7.278 0.982 5.203 74 2HD1 ILE 9 2HD1 ILE 9 -7.284 0.561 3.489 75 3HD1 ILE 9 3HD1 ILE 9 -8.414 1.766 4.105 76 H ILE 10 H ILE 10 -7.754 -3.656 5.731 77 HA ILE 10 HA ILE 10 -6.700 -5.608 6.465 78 HB ILE 10 HB ILE 10 -6.681 -5.994 3.470 79 1HG1 ILE 10 1HG1 ILE 10 -8.502 -7.661 4.147 80 2HG1 ILE 10 2HG1 ILE 10 -8.462 -6.896 5.738 81 1HG2 ILE 10 1HG2 ILE 10 -5.954 -7.913 5.702 82 2HG2 ILE 10 2HG2 ILE 10 -6.310 -8.425 4.052 83 3HG2 ILE 10 3HG2 ILE 10 -4.919 -7.389 4.373 84 1HD1 ILE 10 1HD1 ILE 10 -8.671 -5.113 3.352 85 2HD1 ILE 10 2HD1 ILE 10 -10.105 -6.030 3.815 86 3HD1 ILE 10 3HD1 ILE 10 -9.360 -4.916 4.963 87 H PHE 11 H PHE 11 -4.525 -6.798 6.318 88 HA PHE 11 HA PHE 11 -2.388 -4.853 6.183 89 1HB PHE 11 1HB PHE 11 -2.049 -7.831 6.492 90 2HB PHE 11 2HB PHE 11 -1.085 -6.535 7.174 91 HD1 PHE 11 HD1 PHE 11 -2.880 -4.722 8.433 92 HD2 PHE 11 HD2 PHE 11 -3.149 -9.003 8.180 93 HE1 PHE 11 HE1 PHE 11 -4.263 -4.759 10.494 94 HE2 PHE 11 HE2 PHE 11 -4.531 -9.039 10.238 95 HZ PHE 11 HZ PHE 11 -5.087 -6.917 11.396 96 H GLY 12 H GLY 12 -3.403 -4.938 3.667 97 1HA GLY 12 1HA GLY 12 -2.327 -6.890 1.903 98 2HA GLY 12 2HA GLY 12 -2.793 -5.263 1.430 99 H VAL 13 H VAL 13 -1.225 -3.636 1.450 100 HA VAL 13 HA VAL 13 1.574 -4.562 1.804 101 HB VAL 13 HB VAL 13 0.258 -3.750 -0.584 102 1HG1 VAL 13 1HG1 VAL 13 0.839 -1.410 0.179 103 2HG1 VAL 13 2HG1 VAL 13 2.537 -1.877 0.091 104 3HG1 VAL 13 3HG1 VAL 13 1.546 -1.881 -1.367 105 1HG2 VAL 13 1HG2 VAL 13 2.961 -4.631 0.292 106 2HG2 VAL 13 2HG2 VAL 13 1.849 -5.375 -0.857 107 3HG2 VAL 13 3HG2 VAL 13 2.802 -3.968 -1.335 108 H SER 14 H SER 14 -0.483 -2.860 3.315 109 HA SER 14 HA SER 14 0.824 -0.248 3.499 110 1HB SER 14 1HB SER 14 -0.877 -0.602 5.713 111 2HB SER 14 2HB SER 14 -1.245 0.259 4.222 112 HG SER 14 HG SER 14 -2.727 -1.274 4.153 113 H TYR 15 H TYR 15 2.972 -0.849 4.163 114 HA TYR 15 HA TYR 15 3.134 -1.410 7.072 115 1HB TYR 15 1HB TYR 15 3.987 -3.224 4.963 116 2HB TYR 15 2HB TYR 15 5.347 -2.742 5.977 117 HD1 TYR 15 HD1 TYR 15 5.295 -3.128 8.428 118 HD2 TYR 15 HD2 TYR 15 2.189 -4.577 5.838 119 HE1 TYR 15 HE1 TYR 15 4.508 -4.646 10.222 120 HE2 TYR 15 HE2 TYR 15 1.402 -6.096 7.634 121 HH TYR 15 HH TYR 15 1.760 -5.873 10.516 122 H ASP 16 H ASP 16 3.422 0.997 5.524 123 HA ASP 16 HA ASP 16 4.973 2.719 5.038 124 1HB ASP 16 1HB ASP 16 4.651 2.984 7.422 125 2HB ASP 16 2HB ASP 16 5.800 1.693 7.765 126 H GLU 17 H GLU 17 5.795 0.630 3.528 127 HA GLU 17 HA GLU 17 8.488 1.051 3.008 128 1HB GLU 17 1HB GLU 17 9.198 0.264 5.133 129 2HB GLU 17 2HB GLU 17 8.066 -1.086 5.095 130 1HG GLU 17 1HG GLU 17 9.332 -2.170 3.331 131 2HG GLU 17 2HG GLU 17 10.396 -0.770 3.182 132 H TYR 18 H TYR 18 5.792 -1.090 2.974 133 HA TYR 18 HA TYR 18 6.978 -2.632 0.730 134 1HB TYR 18 1HB TYR 18 5.517 -3.547 2.823 135 2HB TYR 18 2HB TYR 18 4.230 -3.263 1.650 136 HD1 TYR 18 HD1 TYR 18 4.588 -4.192 -0.750 137 HD2 TYR 18 HD2 TYR 18 6.842 -5.483 2.670 138 HE1 TYR 18 HE1 TYR 18 5.215 -6.269 -1.949 139 HE2 TYR 18 HE2 TYR 18 7.473 -7.560 1.470 140 HH TYR 18 HH TYR 18 6.479 -8.953 -0.435 141 H ARG 19 H ARG 19 5.209 0.140 1.191 142 HA ARG 19 HA ARG 19 3.482 -0.253 -1.173 143 1HB ARG 19 1HB ARG 19 2.768 1.030 0.952 144 2HB ARG 19 2HB ARG 19 3.817 2.324 0.368 145 1HG ARG 19 1HG ARG 19 2.562 2.489 -1.699 146 2HG ARG 19 2HG ARG 19 1.595 1.077 -1.273 147 1HD ARG 19 1HD ARG 19 1.620 3.271 0.721 148 2HD ARG 19 2HD ARG 19 0.791 3.620 -0.796 149 HE ARG 19 HE ARG 19 0.007 1.047 0.285 150 1HH1 ARG 19 1HH1 ARG 19 -0.270 4.436 0.818 151 2HH1 ARG 19 2HH1 ARG 19 -1.929 4.360 1.308 152 1HH2 ARG 19 1HH2 ARG 19 -2.210 0.948 0.782 153 2HH2 ARG 19 2HH2 ARG 19 -3.024 2.389 1.290 154 H TYR 20 H TYR 20 6.386 -0.287 -1.376 155 HA TYR 20 HA TYR 20 8.086 0.561 -2.715 156 1HB TYR 20 1HB TYR 20 5.576 0.755 -4.125 157 2HB TYR 20 2HB TYR 20 6.651 2.062 -4.596 158 HD1 TYR 20 HD1 TYR 20 8.906 1.575 -5.516 159 HD2 TYR 20 HD2 TYR 20 6.085 -1.543 -4.641 160 HE1 TYR 20 HE1 TYR 20 10.237 -0.010 -6.883 161 HE2 TYR 20 HE2 TYR 20 7.414 -3.129 -6.008 162 HH TYR 20 HH TYR 20 9.932 -3.275 -6.726 163 H ARG 21 H ARG 21 7.743 2.088 -0.453 164 HA ARG 21 HA ARG 21 7.433 4.908 -1.235 165 1HB ARG 21 1HB ARG 21 7.044 3.580 1.127 166 2HB ARG 21 2HB ARG 21 8.638 4.287 1.391 167 1HG ARG 21 1HG ARG 21 7.508 6.454 0.396 168 2HG ARG 21 2HG ARG 21 6.017 5.661 0.903 169 1HD ARG 21 1HD ARG 21 6.433 6.051 3.092 170 2HD ARG 21 2HD ARG 21 8.114 5.537 2.944 171 HE ARG 21 HE ARG 21 7.114 8.298 2.474 172 1HH1 ARG 21 1HH2 ARG 21 9.338 6.745 4.261 173 2HH1 ARG 21 2HH2 ARG 21 10.731 7.589 3.675 174 1HH2 ARG 21 1HH1 ARG 21 9.053 9.071 1.030 175 2HH2 ARG 21 2HH1 ARG 21 10.572 8.904 1.846 176 H SER 22 H SER 22 9.466 3.700 -2.725 177 HA SER 22 HA SER 22 11.653 4.232 -3.405 178 1HB SER 22 1HB SER 22 11.029 6.501 -2.341 179 2HB SER 22 2HB SER 22 11.913 5.937 -0.925 180 HG SER 22 HG SER 22 13.162 7.149 -2.516 181 H VAL 23 H VAL 23 11.213 1.875 -1.992 182 HA VAL 23 HA VAL 23 12.878 1.578 0.316 183 HB VAL 23 HB VAL 23 11.122 -0.048 -0.300 184 1HG1 VAL 23 1HG1 VAL 23 11.684 0.133 -2.800 185 2HG1 VAL 23 2HG1 VAL 23 12.986 -1.011 -2.474 186 3HG1 VAL 23 3HG1 VAL 23 11.310 -1.477 -2.189 187 1HG2 VAL 23 1HG2 VAL 23 13.959 -1.098 -0.195 188 2HG2 VAL 23 2HG2 VAL 23 12.869 -0.833 1.166 189 3HG2 VAL 23 3HG2 VAL 23 12.531 -2.115 0.003 190 H ILE 24 H ILE 24 13.490 0.827 -3.137 191 HA ILE 24 HA ILE 24 16.366 1.288 -2.606 192 HB ILE 24 HB ILE 24 15.247 -1.158 -3.998 193 1HG1 ILE 24 1HG1 ILE 24 17.187 -1.594 -1.892 194 2HG1 ILE 24 2HG1 ILE 24 15.831 -0.640 -1.292 195 1HG2 ILE 24 1HG2 ILE 24 17.988 0.063 -3.878 196 2HG2 ILE 24 2HG2 ILE 24 17.831 -1.693 -3.928 197 3HG2 ILE 24 3HG2 ILE 24 17.173 -0.711 -5.237 198 1HD1 ILE 24 1HD1 ILE 24 14.686 -2.628 -2.917 199 2HD1 ILE 24 2HD1 ILE 24 15.917 -3.451 -1.958 200 3HD1 ILE 24 3HD1 ILE 24 14.639 -2.538 -1.156 201 H LYS 25 H LYS 25 14.163 2.705 -3.926 202 HA LYS 25 HA LYS 25 13.535 3.551 -6.072 203 1HB LYS 25 1HB LYS 25 16.430 4.265 -5.567 204 2HB LYS 25 2HB LYS 25 15.437 5.026 -6.808 205 1HG LYS 25 1HG LYS 25 13.770 5.248 -4.685 206 2HG LYS 25 2HG LYS 25 15.329 5.332 -3.863 207 1HD LYS 25 1HD LYS 25 14.511 7.050 -6.223 208 2HD LYS 25 2HD LYS 25 14.528 7.580 -4.541 209 1HE LYS 25 1HE LYS 25 17.029 6.375 -5.689 210 2HE LYS 25 2HE LYS 25 16.626 8.059 -6.079 211 1HZ LYS 25 1HZ LYS 25 16.075 8.114 -3.530 212 2HZ LYS 25 2HZ LYS 25 17.197 6.843 -3.472 213 3HZ LYS 25 3HZ LYS 25 17.663 8.358 -4.081 214 H ALA 26 H ALA 26 16.862 3.141 -7.069 215 HA ALA 26 HA ALA 26 15.912 1.215 -9.153 216 1HB ALA 26 1HB ALA 26 16.698 3.643 -9.787 217 2HB ALA 26 2HB ALA 26 18.313 2.980 -9.541 218 3HB ALA 26 3HB ALA 26 17.245 2.273 -10.754 Start of MODEL 4 1 1H MET 1 1H MET 1 -18.067 -1.336 2.760 2 2H MET 1 2H MET 1 -18.624 -1.541 1.170 3 3H MET 1 3H MET 1 -16.988 -1.803 1.532 4 HA MET 1 HA MET 1 -16.748 0.294 0.734 5 1HB MET 1 1HB MET 1 -19.652 0.520 1.574 6 2HB MET 1 2HB MET 1 -18.760 1.852 0.841 7 1HG MET 1 1HG MET 1 -18.215 -0.298 -0.839 8 2HG MET 1 2HG MET 1 -19.913 -0.521 -0.419 9 1HE MET 1 1HE MET 1 -19.407 -0.490 -2.898 10 2HE MET 1 2HE MET 1 -20.837 0.456 -3.338 11 3HE MET 1 3HE MET 1 -19.244 0.940 -3.915 12 HA PRO 2 HA PRO 2 -16.300 1.226 5.285 13 1HB PRO 2 1HB PRO 2 -13.612 0.768 5.468 14 2HB PRO 2 2HB PRO 2 -14.824 -0.507 5.704 15 1HG PRO 2 1HG PRO 2 -13.111 0.060 3.348 16 2HG PRO 2 2HG PRO 2 -13.664 -1.490 3.998 17 1HD PRO 2 1HD PRO 2 -14.751 -0.230 1.798 18 2HD PRO 2 2HD PRO 2 -15.591 -1.443 2.788 19 H GLY 3 H GLY 3 -16.575 3.115 3.270 20 1HA GLY 3 1HA GLY 3 -15.826 5.210 2.516 21 2HA GLY 3 2HA GLY 3 -15.170 5.355 4.148 22 H THR 4 H THR 4 -13.566 6.625 2.637 23 HA THR 4 HA THR 4 -11.570 6.692 1.375 24 HB THR 4 HB THR 4 -10.873 6.549 3.705 25 HG1 THR 4 HG1 THR 4 -9.453 5.359 1.653 26 1HG2 THR 4 1HG2 THR 4 -12.037 4.402 4.213 27 2HG2 THR 4 2HG2 THR 4 -10.793 3.548 3.301 28 3HG2 THR 4 3HG2 THR 4 -10.367 4.425 4.770 29 H ILE 5 H ILE 5 -12.783 5.401 -0.371 30 HA ILE 5 HA ILE 5 -12.581 2.660 -0.780 31 HB ILE 5 HB ILE 5 -12.446 4.974 -2.702 32 1HG1 ILE 5 1HG1 ILE 5 -14.605 3.365 -3.301 33 2HG1 ILE 5 2HG1 ILE 5 -14.473 3.176 -1.552 34 1HG2 ILE 5 1HG2 ILE 5 -11.918 2.085 -3.219 35 2HG2 ILE 5 2HG2 ILE 5 -12.963 2.927 -4.364 36 3HG2 ILE 5 3HG2 ILE 5 -11.322 3.507 -4.076 37 1HD1 ILE 5 1HD1 ILE 5 -14.133 5.953 -2.437 38 2HD1 ILE 5 2HD1 ILE 5 -15.716 5.287 -2.838 39 3HD1 ILE 5 3HD1 ILE 5 -15.162 5.299 -1.164 40 H LYS 6 H LYS 6 -10.014 4.944 -0.704 41 HA LYS 6 HA LYS 6 -8.118 3.052 -1.952 42 1HB LYS 6 1HB LYS 6 -8.232 5.929 -1.571 43 2HB LYS 6 2HB LYS 6 -6.715 5.277 -0.947 44 1HG LYS 6 1HG LYS 6 -7.523 4.127 -3.533 45 2HG LYS 6 2HG LYS 6 -7.200 5.861 -3.594 46 1HD LYS 6 1HD LYS 6 -5.108 5.005 -2.066 47 2HD LYS 6 2HD LYS 6 -5.339 3.612 -3.125 48 1HE LYS 6 1HE LYS 6 -4.838 4.827 -5.056 49 2HE LYS 6 2HE LYS 6 -5.313 6.373 -4.325 50 1HZ LYS 6 1HZ LYS 6 -2.979 4.722 -3.507 51 2HZ LYS 6 2HZ LYS 6 -2.896 6.151 -4.421 52 3HZ LYS 6 3HZ LYS 6 -3.438 6.206 -2.815 53 H GLU 7 H GLU 7 -9.065 1.873 0.214 54 HA GLU 7 HA GLU 7 -7.707 2.570 2.682 55 1HB GLU 7 1HB GLU 7 -9.878 1.300 2.559 56 2HB GLU 7 2HB GLU 7 -8.979 -0.073 1.914 57 1HG GLU 7 1HG GLU 7 -7.594 -0.142 3.942 58 2HG GLU 7 2HG GLU 7 -8.455 1.254 4.592 59 H ASN 8 H ASN 8 -5.757 2.522 0.812 60 HA ASN 8 HA ASN 8 -4.447 -0.108 0.772 61 1HB ASN 8 1HB ASN 8 -4.240 2.384 -0.695 62 2HB ASN 8 2HB ASN 8 -2.651 1.848 -0.148 63 1HD2 ASN 8 2HD2 ASN 8 -5.527 0.781 -1.992 64 2HD2 ASN 8 1HD2 ASN 8 -4.714 -0.419 -2.875 65 H ILE 9 H ILE 9 -4.741 0.611 3.391 66 HA ILE 9 HA ILE 9 -2.885 2.202 4.700 67 HB ILE 9 HB ILE 9 -3.837 -0.575 5.366 68 1HG1 ILE 9 1HG1 ILE 9 -4.925 0.915 7.247 69 2HG1 ILE 9 2HG1 ILE 9 -4.602 2.225 6.109 70 1HG2 ILE 9 1HG2 ILE 9 -2.152 1.242 7.083 71 2HG2 ILE 9 2HG2 ILE 9 -2.978 -0.206 7.658 72 3HG2 ILE 9 3HG2 ILE 9 -1.691 -0.344 6.463 73 1HD1 ILE 9 1HD1 ILE 9 -5.845 -0.195 4.940 74 2HD1 ILE 9 2HD1 ILE 9 -6.862 0.715 6.057 75 3HD1 ILE 9 3HD1 ILE 9 -6.188 1.507 4.634 76 H ILE 10 H ILE 10 -0.831 1.430 5.801 77 HA ILE 10 HA ILE 10 1.152 0.775 3.888 78 HB ILE 10 HB ILE 10 1.096 0.668 6.906 79 1HG1 ILE 10 1HG1 ILE 10 3.059 2.372 6.244 80 2HG1 ILE 10 2HG1 ILE 10 2.117 2.471 4.756 81 1HG2 ILE 10 1HG2 ILE 10 2.589 -1.150 6.142 82 2HG2 ILE 10 2HG2 ILE 10 3.447 -0.009 5.108 83 3HG2 ILE 10 3HG2 ILE 10 3.512 0.168 6.862 84 1HD1 ILE 10 1HD1 ILE 10 0.557 2.603 7.275 85 2HD1 ILE 10 2HD1 ILE 10 1.595 3.989 6.943 86 3HD1 ILE 10 3HD1 ILE 10 0.359 3.514 5.779 87 H PHE 11 H PHE 11 1.790 -1.194 3.055 88 HA PHE 11 HA PHE 11 1.762 -3.502 2.688 89 1HB PHE 11 1HB PHE 11 2.924 -3.912 4.675 90 2HB PHE 11 2HB PHE 11 1.668 -3.194 5.674 91 HD1 PHE 11 HD1 PHE 11 2.257 -6.133 3.410 92 HD2 PHE 11 HD2 PHE 11 0.208 -4.569 6.846 93 HE1 PHE 11 HE1 PHE 11 1.312 -8.376 3.869 94 HE2 PHE 11 HE2 PHE 11 -0.739 -6.813 7.305 95 HZ PHE 11 HZ PHE 11 -0.186 -8.720 5.816 96 H GLY 12 H GLY 12 -0.653 -1.817 2.651 97 1HA GLY 12 1HA GLY 12 -2.903 -3.326 3.605 98 2HA GLY 12 2HA GLY 12 -2.970 -2.081 2.366 99 H VAL 13 H VAL 13 -2.618 -2.690 0.200 100 HA VAL 13 HA VAL 13 -3.054 -5.579 -0.310 101 HB VAL 13 HB VAL 13 -4.548 -3.383 -1.118 102 1HG1 VAL 13 1HG1 VAL 13 -2.551 -3.045 -2.782 103 2HG1 VAL 13 2HG1 VAL 13 -3.272 -4.408 -3.638 104 3HG1 VAL 13 3HG1 VAL 13 -4.206 -2.934 -3.385 105 1HG2 VAL 13 1HG2 VAL 13 -4.305 -6.211 -2.117 106 2HG2 VAL 13 2HG2 VAL 13 -5.516 -5.525 -1.033 107 3HG2 VAL 13 3HG2 VAL 13 -5.534 -5.115 -2.749 108 H SER 14 H SER 14 -0.525 -3.996 0.040 109 HA SER 14 HA SER 14 0.837 -3.834 -2.470 110 1HB SER 14 1HB SER 14 1.535 -3.752 0.405 111 2HB SER 14 2HB SER 14 2.825 -4.287 -0.658 112 HG SER 14 HG SER 14 1.608 -1.821 -0.418 113 H TYR 15 H TYR 15 2.313 -5.979 -0.152 114 HA TYR 15 HA TYR 15 2.696 -8.281 -0.194 115 1HB TYR 15 1HB TYR 15 0.219 -8.061 -1.299 116 2HB TYR 15 2HB TYR 15 1.120 -8.793 -2.619 117 HD1 TYR 15 HD1 TYR 15 2.572 -10.868 -2.061 118 HD2 TYR 15 HD2 TYR 15 -0.537 -9.368 0.495 119 HE1 TYR 15 HE1 TYR 15 2.456 -13.064 -0.913 120 HE2 TYR 15 HE2 TYR 15 -0.655 -11.565 1.642 121 HH TYR 15 HH TYR 15 0.140 -14.198 0.649 122 H ASP 16 H ASP 16 4.844 -7.436 -0.922 123 HA ASP 16 HA ASP 16 6.595 -7.232 -2.518 124 1HB ASP 16 1HB ASP 16 6.748 -9.540 -1.750 125 2HB ASP 16 2HB ASP 16 5.508 -10.037 -2.900 126 H GLU 17 H GLU 17 4.065 -6.266 -3.491 127 HA GLU 17 HA GLU 17 4.528 -6.679 -6.395 128 1HB GLU 17 1HB GLU 17 2.512 -7.907 -5.918 129 2HB GLU 17 2HB GLU 17 1.880 -6.583 -4.939 130 1HG GLU 17 1HG GLU 17 2.507 -5.488 -7.479 131 2HG GLU 17 2HG GLU 17 1.633 -6.988 -7.771 132 H TYR 18 H TYR 18 3.604 -4.600 -3.776 133 HA TYR 18 HA TYR 18 3.170 -2.278 -5.514 134 1HB TYR 18 1HB TYR 18 2.084 -2.674 -3.226 135 2HB TYR 18 2HB TYR 18 3.640 -2.219 -2.532 136 HD1 TYR 18 HD1 TYR 18 1.363 -1.005 -5.261 137 HD2 TYR 18 HD2 TYR 18 3.864 0.010 -1.921 138 HE1 TYR 18 HE1 TYR 18 0.796 1.391 -5.566 139 HE2 TYR 18 HE2 TYR 18 3.296 2.406 -2.226 140 HH TYR 18 HH TYR 18 2.500 3.896 -3.952 141 H ARG 19 H ARG 19 5.769 -3.508 -5.881 142 HA ARG 19 HA ARG 19 8.054 -2.976 -5.858 143 1HB ARG 19 1HB ARG 19 7.173 -1.217 -7.309 144 2HB ARG 19 2HB ARG 19 6.771 -0.237 -5.904 145 1HG ARG 19 1HG ARG 19 9.035 0.189 -5.403 146 2HG ARG 19 2HG ARG 19 9.596 -1.175 -6.366 147 1HD ARG 19 1HD ARG 19 9.827 0.170 -8.152 148 2HD ARG 19 2HD ARG 19 8.115 0.588 -8.069 149 HE ARG 19 HE ARG 19 8.694 2.540 -6.765 150 1HH1 ARG 19 1HH1 ARG 19 11.113 1.466 -8.770 151 2HH1 ARG 19 2HH1 ARG 19 12.412 2.270 -7.955 152 1HH2 ARG 19 1HH2 ARG 19 10.486 3.203 -5.231 153 2HH2 ARG 19 2HH2 ARG 19 12.058 3.253 -5.957 154 H TYR 20 H TYR 20 6.824 -3.404 -3.286 155 HA TYR 20 HA TYR 20 7.114 -2.902 -0.989 156 1HB TYR 20 1HB TYR 20 9.941 -2.305 -1.234 157 2HB TYR 20 2HB TYR 20 9.165 -3.707 -0.507 158 HD1 TYR 20 HD1 TYR 20 7.876 -5.162 -2.529 159 HD2 TYR 20 HD2 TYR 20 11.490 -2.866 -2.863 160 HE1 TYR 20 HE1 TYR 20 8.575 -6.543 -4.469 161 HE2 TYR 20 HE2 TYR 20 12.189 -4.246 -4.801 162 HH TYR 20 HH TYR 20 10.198 -6.087 -6.557 163 H ARG 21 H ARG 21 6.111 -0.622 -2.083 164 HA ARG 21 HA ARG 21 7.940 1.601 -1.399 165 1HB ARG 21 1HB ARG 21 6.294 1.484 -3.444 166 2HB ARG 21 2HB ARG 21 5.117 2.040 -2.247 167 1HG ARG 21 1HG ARG 21 6.023 4.037 -3.047 168 2HG ARG 21 2HG ARG 21 6.946 3.760 -1.585 169 1HD ARG 21 1HD ARG 21 8.830 2.977 -2.789 170 2HD ARG 21 2HD ARG 21 7.898 2.764 -4.271 171 HE ARG 21 HE ARG 21 7.854 5.216 -4.508 172 1HH1 ARG 21 1HH1 ARG 21 10.508 3.748 -3.081 173 2HH1 ARG 21 2HH1 ARG 21 11.217 5.207 -2.477 174 1HH2 ARG 21 1HH2 ARG 21 8.487 7.185 -3.291 175 2HH2 ARG 21 2HH2 ARG 21 10.077 7.156 -2.602 176 H SER 22 H SER 22 7.435 0.187 0.798 177 HA SER 22 HA SER 22 5.645 1.979 2.336 178 1HB SER 22 1HB SER 22 5.605 -1.029 2.263 179 2HB SER 22 2HB SER 22 5.149 -0.183 3.741 180 HG SER 22 HG SER 22 3.282 -0.050 2.769 181 H VAL 23 H VAL 23 8.542 1.637 1.822 182 HA VAL 23 HA VAL 23 9.586 0.857 4.486 183 HB VAL 23 HB VAL 23 11.031 1.810 1.990 184 1HG1 VAL 23 1HG1 VAL 23 11.929 0.938 4.724 185 2HG1 VAL 23 2HG1 VAL 23 12.957 0.623 3.326 186 3HG1 VAL 23 3HG1 VAL 23 12.512 2.279 3.738 187 1HG2 VAL 23 1HG2 VAL 23 10.584 -0.950 3.169 188 2HG2 VAL 23 2HG2 VAL 23 9.986 -0.356 1.620 189 3HG2 VAL 23 3HG2 VAL 23 11.715 -0.605 1.860 190 H ILE 24 H ILE 24 7.966 2.934 4.836 191 HA ILE 24 HA ILE 24 7.786 5.208 5.371 192 HB ILE 24 HB ILE 24 9.446 3.951 7.057 193 1HG1 ILE 24 1HG1 ILE 24 9.484 6.084 8.377 194 2HG1 ILE 24 2HG1 ILE 24 8.900 6.930 6.942 195 1HG2 ILE 24 1HG2 ILE 24 11.323 5.032 5.367 196 2HG2 ILE 24 2HG2 ILE 24 11.213 6.270 6.615 197 3HG2 ILE 24 3HG2 ILE 24 11.620 4.612 7.050 198 1HD1 ILE 24 1HD1 ILE 24 7.298 4.570 7.466 199 2HD1 ILE 24 2HD1 ILE 24 7.333 5.625 8.878 200 3HD1 ILE 24 3HD1 ILE 24 6.785 6.251 7.323 201 H LYS 25 H LYS 25 8.767 4.665 2.709 202 HA LYS 25 HA LYS 25 10.006 5.674 0.956 203 1HB LYS 25 1HB LYS 25 8.019 7.270 1.834 204 2HB LYS 25 2HB LYS 25 9.392 8.335 2.137 205 1HG LYS 25 1HG LYS 25 9.780 8.666 -0.078 206 2HG LYS 25 2HG LYS 25 9.481 6.975 -0.476 207 1HD LYS 25 1HD LYS 25 7.386 7.446 -1.147 208 2HD LYS 25 2HD LYS 25 7.028 8.237 0.388 209 1HE LYS 25 1HE LYS 25 7.348 10.321 -0.485 210 2HE LYS 25 2HE LYS 25 8.776 9.808 -1.408 211 1HZ LYS 25 1HZ LYS 25 6.021 8.956 -2.099 212 2HZ LYS 25 2HZ LYS 25 6.748 10.333 -2.778 213 3HZ LYS 25 3HZ LYS 25 7.423 8.795 -3.038 214 H ALA 26 H ALA 26 11.821 4.940 2.937 215 HA ALA 26 HA ALA 26 13.430 7.241 3.729 216 1HB ALA 26 1HB ALA 26 13.488 4.325 4.136 217 2HB ALA 26 2HB ALA 26 15.086 5.053 3.975 218 3HB ALA 26 3HB ALA 26 13.980 5.622 5.224 Start of MODEL 5 1 1H MET 1 1H MET 1 -4.411 3.216 -12.124 2 2H MET 1 2H MET 1 -3.380 2.623 -13.335 3 3H MET 1 3H MET 1 -5.033 2.837 -13.655 4 HA MET 1 HA MET 1 -5.576 0.843 -12.830 5 1HB MET 1 1HB MET 1 -2.922 0.907 -13.781 6 2HB MET 1 2HB MET 1 -2.870 -0.080 -12.320 7 1HG MET 1 1HG MET 1 -4.069 -1.758 -13.270 8 2HG MET 1 2HG MET 1 -5.181 -0.639 -14.058 9 1HE MET 1 1HE MET 1 -5.244 -2.457 -15.497 10 2HE MET 1 2HE MET 1 -4.984 -1.620 -17.025 11 3HE MET 1 3HE MET 1 -4.015 -3.036 -16.629 12 HA PRO 2 HA PRO 2 -3.519 0.522 -8.531 13 1HB PRO 2 1HB PRO 2 -1.621 2.371 -7.857 14 2HB PRO 2 2HB PRO 2 -1.233 0.846 -8.676 15 1HG PRO 2 1HG PRO 2 -1.474 3.586 -9.797 16 2HG PRO 2 2HG PRO 2 -0.351 2.286 -10.222 17 1HD PRO 2 1HD PRO 2 -2.574 2.943 -11.687 18 2HD PRO 2 2HD PRO 2 -1.814 1.337 -11.695 19 H GLY 3 H GLY 3 -5.253 1.240 -7.337 20 1HA GLY 3 1HA GLY 3 -5.399 3.660 -5.986 21 2HA GLY 3 2HA GLY 3 -6.239 3.967 -7.507 22 H THR 4 H THR 4 -8.139 4.259 -6.039 23 HA THR 4 HA THR 4 -9.999 3.459 -4.820 24 HB THR 4 HB THR 4 -10.571 3.128 -7.167 25 HG1 THR 4 HG1 THR 4 -11.318 0.826 -5.700 26 1HG2 THR 4 1HG2 THR 4 -9.099 0.524 -6.775 27 2HG2 THR 4 2HG2 THR 4 -10.260 0.751 -8.083 28 3HG2 THR 4 3HG2 THR 4 -8.819 1.765 -7.998 29 H ILE 5 H ILE 5 -8.125 2.631 -3.219 30 HA ILE 5 HA ILE 5 -8.834 -0.177 -2.619 31 HB ILE 5 HB ILE 5 -6.018 0.902 -2.824 32 1HG1 ILE 5 1HG1 ILE 5 -6.758 -1.700 -3.988 33 2HG1 ILE 5 2HG1 ILE 5 -7.629 -0.335 -4.689 34 1HG2 ILE 5 1HG2 ILE 5 -7.207 -1.208 -1.155 35 2HG2 ILE 5 2HG2 ILE 5 -5.855 -1.765 -2.141 36 3HG2 ILE 5 3HG2 ILE 5 -5.634 -0.422 -1.018 37 1HD1 ILE 5 1HD1 ILE 5 -5.495 0.827 -5.089 38 2HD1 ILE 5 2HD1 ILE 5 -4.623 -0.543 -4.401 39 3HD1 ILE 5 3HD1 ILE 5 -5.529 -0.740 -5.901 40 H LYS 6 H LYS 6 -10.110 0.934 -0.989 41 HA LYS 6 HA LYS 6 -8.533 1.465 1.453 42 1HB LYS 6 1HB LYS 6 -9.034 3.660 0.169 43 2HB LYS 6 2HB LYS 6 -10.707 3.403 0.667 44 1HG LYS 6 1HG LYS 6 -9.665 4.800 2.335 45 2HG LYS 6 2HG LYS 6 -9.878 3.199 3.043 46 1HD LYS 6 1HD LYS 6 -7.354 3.348 1.634 47 2HD LYS 6 2HD LYS 6 -7.471 4.641 2.828 48 1HE LYS 6 1HE LYS 6 -8.342 2.728 4.417 49 2HE LYS 6 2HE LYS 6 -7.518 1.664 3.259 50 1HZ LYS 6 1HZ LYS 6 -5.640 3.408 3.450 51 2HZ LYS 6 2HZ LYS 6 -6.387 3.821 4.919 52 3HZ LYS 6 3HZ LYS 6 -5.807 2.245 4.678 53 H GLU 7 H GLU 7 -9.936 -0.806 1.118 54 HA GLU 7 HA GLU 7 -12.360 -0.351 2.801 55 1HB GLU 7 1HB GLU 7 -12.816 -0.977 0.333 56 2HB GLU 7 2HB GLU 7 -12.196 -2.572 0.765 57 1HG GLU 7 1HG GLU 7 -13.990 -3.058 2.119 58 2HG GLU 7 2HG GLU 7 -14.230 -1.373 2.581 59 H ASN 8 H ASN 8 -9.723 -0.955 3.681 60 HA ASN 8 HA ASN 8 -10.298 -3.438 5.155 61 1HB ASN 8 1HB ASN 8 -8.945 -3.867 2.905 62 2HB ASN 8 2HB ASN 8 -7.590 -3.300 3.881 63 1HD2 ASN 8 2HD2 ASN 8 -6.734 -5.566 3.778 64 2HD2 ASN 8 1HD2 ASN 8 -7.387 -6.752 4.804 65 H ILE 9 H ILE 9 -10.391 -1.755 6.837 66 HA ILE 9 HA ILE 9 -8.341 0.040 7.485 67 HB ILE 9 HB ILE 9 -10.360 -1.418 9.161 68 1HG1 ILE 9 1HG1 ILE 9 -10.727 1.208 9.595 69 2HG1 ILE 9 2HG1 ILE 9 -9.929 1.306 8.026 70 1HG2 ILE 9 1HG2 ILE 9 -8.002 0.230 10.076 71 2HG2 ILE 9 2HG2 ILE 9 -9.489 0.187 11.024 72 3HG2 ILE 9 3HG2 ILE 9 -8.591 -1.301 10.721 73 1HD1 ILE 9 1HD1 ILE 9 -12.036 -0.760 8.236 74 2HD1 ILE 9 2HD1 ILE 9 -12.607 0.906 8.332 75 3HD1 ILE 9 3HD1 ILE 9 -11.691 0.367 6.923 76 H ILE 10 H ILE 10 -8.271 -3.381 7.685 77 HA ILE 10 HA ILE 10 -6.646 -3.988 9.817 78 HB ILE 10 HB ILE 10 -6.011 -4.981 7.033 79 1HG1 ILE 10 1HG1 ILE 10 -8.384 -5.160 7.177 80 2HG1 ILE 10 2HG1 ILE 10 -7.780 -6.744 7.645 81 1HG2 ILE 10 1HG2 ILE 10 -5.437 -5.795 9.821 82 2HG2 ILE 10 2HG2 ILE 10 -5.937 -7.103 8.748 83 3HG2 ILE 10 3HG2 ILE 10 -4.529 -6.120 8.345 84 1HD1 ILE 10 1HD1 ILE 10 -8.561 -4.538 9.574 85 2HD1 ILE 10 2HD1 ILE 10 -9.543 -5.955 9.200 86 3HD1 ILE 10 3HD1 ILE 10 -7.995 -6.147 10.023 87 H PHE 11 H PHE 11 -4.201 -4.293 9.830 88 HA PHE 11 HA PHE 11 -2.913 -1.780 9.392 89 1HB PHE 11 1HB PHE 11 -2.266 -4.298 10.626 90 2HB PHE 11 2HB PHE 11 -0.927 -3.792 9.595 91 HD1 PHE 11 HD1 PHE 11 -0.084 -1.376 9.814 92 HD2 PHE 11 HD2 PHE 11 -2.633 -3.263 12.706 93 HE1 PHE 11 HE1 PHE 11 0.559 0.331 11.494 94 HE2 PHE 11 HE2 PHE 11 -1.995 -1.558 14.387 95 HZ PHE 11 HZ PHE 11 -0.397 0.241 13.783 96 H GLY 12 H GLY 12 -3.941 -2.197 6.994 97 1HA GLY 12 1HA GLY 12 -2.038 -3.576 5.223 98 2HA GLY 12 2HA GLY 12 -3.479 -2.697 4.709 99 H VAL 13 H VAL 13 -2.041 -0.625 6.770 100 HA VAL 13 HA VAL 13 -0.692 0.785 4.546 101 HB VAL 13 HB VAL 13 -2.462 1.980 5.818 102 1HG1 VAL 13 1HG1 VAL 13 -1.697 0.717 7.992 103 2HG1 VAL 13 2HG1 VAL 13 -0.564 2.058 8.151 104 3HG1 VAL 13 3HG1 VAL 13 -2.300 2.368 8.124 105 1HG2 VAL 13 1HG2 VAL 13 0.020 2.870 5.028 106 2HG2 VAL 13 2HG2 VAL 13 -1.311 3.909 5.539 107 3HG2 VAL 13 3HG2 VAL 13 -0.070 3.432 6.698 108 H SER 14 H SER 14 0.561 -1.440 5.943 109 HA SER 14 HA SER 14 2.894 0.022 7.121 110 1HB SER 14 1HB SER 14 1.366 -1.641 8.574 111 2HB SER 14 2HB SER 14 2.413 -2.842 7.824 112 HG SER 14 HG SER 14 4.125 -1.990 8.817 113 H TYR 15 H TYR 15 2.171 -0.942 4.342 114 HA TYR 15 HA TYR 15 4.754 -2.122 3.713 115 1HB TYR 15 1HB TYR 15 2.311 -3.596 2.753 116 2HB TYR 15 2HB TYR 15 3.976 -4.154 2.840 117 HD1 TYR 15 HD1 TYR 15 4.992 -4.793 4.994 118 HD2 TYR 15 HD2 TYR 15 0.862 -3.648 4.709 119 HE1 TYR 15 HE1 TYR 15 4.574 -5.759 7.239 120 HE2 TYR 15 HE2 TYR 15 0.446 -4.615 6.955 121 HH TYR 15 HH TYR 15 2.365 -5.087 9.140 122 H ASP 16 H ASP 16 3.035 0.245 3.218 123 HA ASP 16 HA ASP 16 3.455 0.375 0.308 124 1HB ASP 16 1HB ASP 16 0.969 -0.309 1.016 125 2HB ASP 16 2HB ASP 16 0.831 1.427 1.298 126 H GLU 17 H GLU 17 4.511 1.456 2.826 127 HA GLU 17 HA GLU 17 4.455 4.306 2.033 128 1HB GLU 17 1HB GLU 17 4.197 3.432 4.928 129 2HB GLU 17 2HB GLU 17 4.124 5.080 4.301 130 1HG GLU 17 1HG GLU 17 2.103 4.378 2.951 131 2HG GLU 17 2HG GLU 17 2.123 2.854 3.840 132 H TYR 18 H TYR 18 6.227 1.639 2.458 133 HA TYR 18 HA TYR 18 8.464 2.646 4.000 134 1HB TYR 18 1HB TYR 18 8.142 0.236 3.699 135 2HB TYR 18 2HB TYR 18 8.276 0.421 1.953 136 HD1 TYR 18 HD1 TYR 18 10.115 0.529 5.156 137 HD2 TYR 18 HD2 TYR 18 10.423 0.792 0.879 138 HE1 TYR 18 HE1 TYR 18 12.579 0.303 5.320 139 HE2 TYR 18 HE2 TYR 18 12.887 0.565 1.044 140 HH TYR 18 HH TYR 18 14.575 0.910 3.951 141 H ARG 19 H ARG 19 7.191 3.677 1.141 142 HA ARG 19 HA ARG 19 8.001 4.980 -0.593 143 1HB ARG 19 1HB ARG 19 9.001 6.277 1.226 144 2HB ARG 19 2HB ARG 19 10.365 5.164 1.268 145 1HG ARG 19 1HG ARG 19 11.250 5.958 -0.716 146 2HG ARG 19 2HG ARG 19 9.678 6.453 -1.339 147 1HD ARG 19 1HD ARG 19 10.623 7.854 1.106 148 2HD ARG 19 2HD ARG 19 11.480 8.225 -0.390 149 HE ARG 19 HE ARG 19 8.880 8.469 -1.174 150 1HH1 ARG 19 1HH1 ARG 19 10.734 9.674 1.479 151 2HH1 ARG 19 2HH1 ARG 19 9.729 11.063 1.717 152 1HH2 ARG 19 1HH2 ARG 19 7.536 10.253 -0.839 153 2HH2 ARG 19 2HH2 ARG 19 7.925 11.393 0.406 154 H TYR 20 H TYR 20 8.482 2.086 -0.303 155 HA TYR 20 HA TYR 20 9.813 1.557 -2.720 156 1HB TYR 20 1HB TYR 20 11.699 2.422 -0.876 157 2HB TYR 20 2HB TYR 20 11.848 0.667 -0.819 158 HD1 TYR 20 HD1 TYR 20 11.606 3.508 -3.255 159 HD2 TYR 20 HD2 TYR 20 13.056 -0.461 -2.478 160 HE1 TYR 20 HE1 TYR 20 12.825 3.530 -5.416 161 HE2 TYR 20 HE2 TYR 20 14.275 -0.439 -4.638 162 HH TYR 20 HH TYR 20 15.135 1.090 -6.247 163 H ARG 21 H ARG 21 7.830 0.477 -0.565 164 HA ARG 21 HA ARG 21 8.579 -2.366 -1.019 165 1HB ARG 21 1HB ARG 21 8.871 -1.240 1.449 166 2HB ARG 21 2HB ARG 21 7.204 -1.809 1.540 167 1HG ARG 21 1HG ARG 21 7.807 -4.038 1.290 168 2HG ARG 21 2HG ARG 21 9.294 -3.643 0.425 169 1HD ARG 21 1HD ARG 21 10.163 -4.241 2.492 170 2HD ARG 21 2HD ARG 21 9.948 -2.506 2.726 171 HE ARG 21 HE ARG 21 7.795 -4.384 3.581 172 1HH1 ARG 21 1HH1 ARG 21 10.577 -2.724 4.587 173 2HH1 ARG 21 2HH1 ARG 21 9.859 -2.066 6.019 174 1HH2 ARG 21 1HH2 ARG 21 6.674 -3.209 5.267 175 2HH2 ARG 21 2HH2 ARG 21 7.649 -2.341 6.404 176 H SER 22 H SER 22 6.951 -1.858 -2.774 177 HA SER 22 HA SER 22 4.820 -2.435 -3.586 178 1HB SER 22 1HB SER 22 3.571 -2.529 -0.897 179 2HB SER 22 2HB SER 22 3.394 -3.632 -2.257 180 HG SER 22 HG SER 22 5.510 -4.401 -1.764 181 H VAL 23 H VAL 23 5.738 0.212 -3.207 182 HA VAL 23 HA VAL 23 3.339 1.686 -2.237 183 HB VAL 23 HB VAL 23 5.877 2.981 -3.213 184 1HG1 VAL 23 1HG1 VAL 23 3.581 3.655 -1.394 185 2HG1 VAL 23 2HG1 VAL 23 5.132 4.469 -1.178 186 3HG1 VAL 23 3HG1 VAL 23 4.271 4.602 -2.711 187 1HG2 VAL 23 1HG2 VAL 23 6.376 1.101 -1.558 188 2HG2 VAL 23 2HG2 VAL 23 6.907 2.710 -1.068 189 3HG2 VAL 23 3HG2 VAL 23 5.440 2.018 -0.376 190 H ILE 24 H ILE 24 5.561 1.634 -5.042 191 HA ILE 24 HA ILE 24 3.364 2.811 -6.672 192 HB ILE 24 HB ILE 24 6.335 2.566 -7.238 193 1HG1 ILE 24 1HG1 ILE 24 5.869 4.253 -5.551 194 2HG1 ILE 24 2HG1 ILE 24 6.212 5.073 -7.075 195 1HG2 ILE 24 1HG2 ILE 24 4.037 3.072 -8.960 196 2HG2 ILE 24 2HG2 ILE 24 5.178 4.416 -8.981 197 3HG2 ILE 24 3HG2 ILE 24 5.721 2.791 -9.399 198 1HD1 ILE 24 1HD1 ILE 24 3.628 4.951 -7.437 199 2HD1 ILE 24 2HD1 ILE 24 3.567 4.690 -5.694 200 3HD1 ILE 24 3HD1 ILE 24 4.274 6.171 -6.340 201 H LYS 25 H LYS 25 3.425 0.042 -5.827 202 HA LYS 25 HA LYS 25 2.734 -1.244 -8.274 203 1HB LYS 25 1HB LYS 25 5.424 -1.056 -8.183 204 2HB LYS 25 2HB LYS 25 5.213 -2.546 -7.262 205 1HG LYS 25 1HG LYS 25 5.473 -2.977 -9.700 206 2HG LYS 25 2HG LYS 25 3.913 -3.528 -9.088 207 1HD LYS 25 1HD LYS 25 2.760 -2.016 -10.330 208 2HD LYS 25 2HD LYS 25 3.919 -0.728 -10.001 209 1HE LYS 25 1HE LYS 25 4.995 -1.082 -11.970 210 2HE LYS 25 2HE LYS 25 5.046 -2.836 -11.702 211 1HZ LYS 25 1HZ LYS 25 2.632 -1.311 -12.527 212 2HZ LYS 25 2HZ LYS 25 3.596 -2.231 -13.577 213 3HZ LYS 25 3HZ LYS 25 2.738 -2.997 -12.326 214 H ALA 26 H ALA 26 1.018 -2.172 -7.173 215 HA ALA 26 HA ALA 26 1.352 -4.574 -5.733 216 1HB ALA 26 1HB ALA 26 1.062 -2.124 -3.973 217 2HB ALA 26 2HB ALA 26 0.745 -3.767 -3.417 218 3HB ALA 26 3HB ALA 26 2.367 -3.311 -3.940 Start of MODEL 6 1 1H MET 1 1H MET 1 -14.019 3.476 -6.925 2 2H MET 1 2H MET 1 -13.270 4.575 -5.873 3 3H MET 1 3H MET 1 -12.391 3.902 -7.161 4 HA MET 1 HA MET 1 -11.633 2.571 -5.476 5 1HB MET 1 1HB MET 1 -13.175 2.053 -3.550 6 2HB MET 1 2HB MET 1 -12.909 3.779 -3.795 7 1HG MET 1 1HG MET 1 -15.111 2.994 -5.436 8 2HG MET 1 2HG MET 1 -15.390 2.358 -3.815 9 1HE MET 1 1HE MET 1 -16.184 3.344 -2.092 10 2HE MET 1 2HE MET 1 -14.783 4.253 -1.534 11 3HE MET 1 3HE MET 1 -16.355 5.051 -1.687 12 HA PRO 2 HA PRO 2 -14.104 -0.463 -8.008 13 1HB PRO 2 1HB PRO 2 -12.006 -1.332 -9.537 14 2HB PRO 2 2HB PRO 2 -13.010 0.062 -9.982 15 1HG PRO 2 1HG PRO 2 -10.309 -0.005 -8.740 16 2HG PRO 2 2HG PRO 2 -10.969 1.105 -9.950 17 1HD PRO 2 1HD PRO 2 -10.718 1.724 -7.297 18 2HD PRO 2 2HD PRO 2 -11.922 2.461 -8.377 19 H GLY 3 H GLY 3 -14.135 -1.607 -5.908 20 1HA GLY 3 1HA GLY 3 -13.058 -4.124 -5.800 21 2HA GLY 3 2HA GLY 3 -11.774 -3.137 -5.095 22 H THR 4 H THR 4 -12.713 -4.878 -3.347 23 HA THR 4 HA THR 4 -14.886 -3.542 -1.804 24 HB THR 4 HB THR 4 -15.032 -6.017 -2.354 25 HG1 THR 4 HG1 THR 4 -16.138 -6.147 -0.581 26 1HG2 THR 4 1HG2 THR 4 -12.386 -5.933 -1.297 27 2HG2 THR 4 2HG2 THR 4 -13.366 -6.921 -0.212 28 3HG2 THR 4 3HG2 THR 4 -13.262 -7.330 -1.924 29 H ILE 5 H ILE 5 -12.622 -2.079 -1.656 30 HA ILE 5 HA ILE 5 -10.903 -2.948 0.534 31 HB ILE 5 HB ILE 5 -11.142 -0.239 -0.796 32 1HG1 ILE 5 1HG1 ILE 5 -8.770 -1.513 -1.557 33 2HG1 ILE 5 2HG1 ILE 5 -9.994 -2.780 -1.639 34 1HG2 ILE 5 1HG2 ILE 5 -9.956 -0.737 1.576 35 2HG2 ILE 5 2HG2 ILE 5 -8.642 -1.208 0.498 36 3HG2 ILE 5 3HG2 ILE 5 -9.305 0.424 0.420 37 1HD1 ILE 5 1HD1 ILE 5 -11.431 -0.987 -2.868 38 2HD1 ILE 5 2HD1 ILE 5 -9.894 -0.162 -3.122 39 3HD1 ILE 5 3HD1 ILE 5 -10.140 -1.786 -3.764 40 H LYS 6 H LYS 6 -12.265 0.267 0.515 41 HA LYS 6 HA LYS 6 -13.646 1.370 2.078 42 1HB LYS 6 1HB LYS 6 -14.980 -0.830 1.926 43 2HB LYS 6 2HB LYS 6 -14.127 -1.310 3.392 44 1HG LYS 6 1HG LYS 6 -16.215 -0.302 4.060 45 2HG LYS 6 2HG LYS 6 -14.920 0.826 4.463 46 1HD LYS 6 1HD LYS 6 -15.352 2.085 2.394 47 2HD LYS 6 2HD LYS 6 -16.633 0.950 1.963 48 1HE LYS 6 1HE LYS 6 -17.943 1.592 3.909 49 2HE LYS 6 2HE LYS 6 -16.624 2.622 4.499 50 1HZ LYS 6 1HZ LYS 6 -17.833 2.937 1.811 51 2HZ LYS 6 2HZ LYS 6 -18.385 3.797 3.169 52 3HZ LYS 6 3HZ LYS 6 -16.795 4.013 2.618 53 H GLU 7 H GLU 7 -10.894 1.262 2.442 54 HA GLU 7 HA GLU 7 -10.591 1.963 5.174 55 1HB GLU 7 1HB GLU 7 -10.918 -0.589 5.344 56 2HB GLU 7 2HB GLU 7 -9.328 -0.722 4.592 57 1HG GLU 7 1HG GLU 7 -8.386 0.710 6.399 58 2HG GLU 7 2HG GLU 7 -9.969 0.724 7.178 59 H ASN 8 H ASN 8 -9.653 3.488 3.384 60 HA ASN 8 HA ASN 8 -7.754 4.496 2.486 61 1HB ASN 8 1HB ASN 8 -6.651 4.338 4.554 62 2HB ASN 8 2HB ASN 8 -6.588 2.582 4.493 63 1HD2 ASN 8 2HD2 ASN 8 -4.751 5.390 3.941 64 2HD2 ASN 8 1HD2 ASN 8 -3.507 4.692 3.021 65 H ILE 9 H ILE 9 -8.065 3.866 0.399 66 HA ILE 9 HA ILE 9 -8.106 1.661 -1.041 67 HB ILE 9 HB ILE 9 -6.241 3.956 -1.616 68 1HG1 ILE 9 1HG1 ILE 9 -8.808 4.250 -1.314 69 2HG1 ILE 9 2HG1 ILE 9 -8.067 4.917 -2.765 70 1HG2 ILE 9 1HG2 ILE 9 -6.625 1.422 -2.974 71 2HG2 ILE 9 2HG2 ILE 9 -7.102 2.768 -4.010 72 3HG2 ILE 9 3HG2 ILE 9 -5.476 2.712 -3.328 73 1HD1 ILE 9 1HD1 ILE 9 -9.431 2.212 -2.589 74 2HD1 ILE 9 2HD1 ILE 9 -10.142 3.665 -3.292 75 3HD1 ILE 9 3HD1 ILE 9 -8.730 2.923 -4.042 76 H ILE 10 H ILE 10 -4.850 2.652 -1.538 77 HA ILE 10 HA ILE 10 -3.634 0.264 -1.865 78 HB ILE 10 HB ILE 10 -2.598 2.732 -0.476 79 1HG1 ILE 10 1HG1 ILE 10 -1.104 2.440 -2.665 80 2HG1 ILE 10 2HG1 ILE 10 -2.480 1.471 -3.190 81 1HG2 ILE 10 1HG2 ILE 10 -1.327 0.044 -0.684 82 2HG2 ILE 10 2HG2 ILE 10 -0.315 1.433 -1.074 83 3HG2 ILE 10 3HG2 ILE 10 -1.077 1.315 0.512 84 1HD1 ILE 10 1HD1 ILE 10 -3.424 3.905 -1.963 85 2HD1 ILE 10 2HD1 ILE 10 -2.254 4.291 -3.225 86 3HD1 ILE 10 3HD1 ILE 10 -3.679 3.327 -3.610 87 H PHE 11 H PHE 11 -4.494 -1.412 -0.643 88 HA PHE 11 HA PHE 11 -5.163 -2.525 1.360 89 1HB PHE 11 1HB PHE 11 -2.213 -2.708 1.643 90 2HB PHE 11 2HB PHE 11 -3.428 -3.975 1.621 91 HD1 PHE 11 HD1 PHE 11 -4.610 -4.501 -0.570 92 HD2 PHE 11 HD2 PHE 11 -1.057 -2.101 -0.335 93 HE1 PHE 11 HE1 PHE 11 -4.209 -4.862 -2.990 94 HE2 PHE 11 HE2 PHE 11 -0.653 -2.460 -2.756 95 HZ PHE 11 HZ PHE 11 -2.229 -3.842 -4.083 96 H GLY 12 H GLY 12 -5.305 0.138 2.203 97 1HA GLY 12 1HA GLY 12 -5.239 1.366 4.215 98 2HA GLY 12 2HA GLY 12 -4.871 -0.158 5.011 99 H VAL 13 H VAL 13 -2.619 0.507 2.599 100 HA VAL 13 HA VAL 13 -0.300 0.751 2.856 101 HB VAL 13 HB VAL 13 -1.480 3.006 2.422 102 1HG1 VAL 13 1HG1 VAL 13 -2.214 3.302 4.786 103 2HG1 VAL 13 2HG1 VAL 13 -0.526 3.469 5.261 104 3HG1 VAL 13 3HG1 VAL 13 -1.260 4.660 4.191 105 1HG2 VAL 13 1HG2 VAL 13 1.160 2.214 2.661 106 2HG2 VAL 13 2HG2 VAL 13 0.599 3.721 1.938 107 3HG2 VAL 13 3HG2 VAL 13 1.088 3.684 3.632 108 H SER 14 H SER 14 -1.505 -0.562 5.152 109 HA SER 14 HA SER 14 0.046 0.534 7.433 110 1HB SER 14 1HB SER 14 -2.395 -0.350 7.583 111 2HB SER 14 2HB SER 14 -1.665 -1.950 7.511 112 HG SER 14 HG SER 14 -0.518 -0.133 9.269 113 H TYR 15 H TYR 15 1.686 -0.386 5.402 114 HA TYR 15 HA TYR 15 2.729 -2.941 6.558 115 1HB TYR 15 1HB TYR 15 2.500 -2.055 3.683 116 2HB TYR 15 2HB TYR 15 3.673 -3.278 4.172 117 HD1 TYR 15 HD1 TYR 15 0.074 -2.462 3.935 118 HD2 TYR 15 HD2 TYR 15 2.974 -5.484 4.880 119 HE1 TYR 15 HE1 TYR 15 -1.714 -4.181 3.917 120 HE2 TYR 15 HE2 TYR 15 1.188 -7.203 4.861 121 HH TYR 15 HH TYR 15 -0.968 -7.605 4.159 122 H ASP 16 H ASP 16 3.639 -0.652 7.680 123 HA ASP 16 HA ASP 16 5.481 0.815 7.914 124 1HB ASP 16 1HB ASP 16 6.343 -1.264 8.824 125 2HB ASP 16 2HB ASP 16 6.747 -1.844 7.208 126 H GLU 17 H GLU 17 4.445 1.434 5.527 127 HA GLU 17 HA GLU 17 4.898 2.213 3.365 128 1HB GLU 17 1HB GLU 17 7.038 2.998 5.155 129 2HB GLU 17 2HB GLU 17 7.642 2.794 3.510 130 1HG GLU 17 1HG GLU 17 6.199 4.416 2.635 131 2HG GLU 17 2HG GLU 17 5.072 4.278 3.984 132 H TYR 18 H TYR 18 4.774 -0.372 3.093 133 HA TYR 18 HA TYR 18 5.549 -2.180 1.804 134 1HB TYR 18 1HB TYR 18 6.208 0.031 0.388 135 2HB TYR 18 2HB TYR 18 7.820 -0.591 0.723 136 HD1 TYR 18 HD1 TYR 18 4.451 -1.822 -0.382 137 HD2 TYR 18 HD2 TYR 18 8.718 -2.166 -0.741 138 HE1 TYR 18 HE1 TYR 18 4.165 -3.520 -2.169 139 HE2 TYR 18 HE2 TYR 18 8.432 -3.861 -2.528 140 HH TYR 18 HH TYR 18 5.257 -5.146 -3.350 141 H ARG 19 H ARG 19 6.548 -1.622 4.485 142 HA ARG 19 HA ARG 19 8.341 -2.111 5.928 143 1HB ARG 19 1HB ARG 19 7.410 -4.328 5.316 144 2HB ARG 19 2HB ARG 19 8.524 -4.398 3.955 145 1HG ARG 19 1HG ARG 19 10.442 -4.400 5.441 146 2HG ARG 19 2HG ARG 19 9.411 -4.088 6.836 147 1HD ARG 19 1HD ARG 19 8.788 -6.264 7.011 148 2HD ARG 19 2HD ARG 19 8.648 -6.463 5.264 149 HE ARG 19 HE ARG 19 11.167 -6.690 5.246 150 1HH1 ARG 19 1HH2 ARG 19 10.029 -9.127 6.492 151 2HH1 ARG 19 2HH2 ARG 19 10.910 -9.245 7.979 152 1HH2 ARG 19 1HH1 ARG 19 12.033 -5.962 7.876 153 2HH2 ARG 19 2HH1 ARG 19 12.053 -7.451 8.760 154 H TYR 20 H TYR 20 9.182 -0.150 4.230 155 HA TYR 20 HA TYR 20 11.949 -0.203 4.288 156 1HB TYR 20 1HB TYR 20 10.965 -2.009 2.268 157 2HB TYR 20 2HB TYR 20 11.891 -0.713 1.519 158 HD1 TYR 20 HD1 TYR 20 13.847 -0.069 3.656 159 HD2 TYR 20 HD2 TYR 20 12.423 -3.865 2.235 160 HE1 TYR 20 HE1 TYR 20 15.951 -1.143 4.413 161 HE2 TYR 20 HE2 TYR 20 14.527 -4.938 2.992 162 HH TYR 20 HH TYR 20 16.365 -4.641 4.316 163 H ARG 21 H ARG 21 9.083 1.027 2.919 164 HA ARG 21 HA ARG 21 8.592 3.092 1.939 165 1HB ARG 21 1HB ARG 21 9.807 4.005 3.836 166 2HB ARG 21 2HB ARG 21 11.342 3.684 3.033 167 1HG ARG 21 1HG ARG 21 11.015 5.386 1.452 168 2HG ARG 21 2HG ARG 21 9.269 5.385 1.675 169 1HD ARG 21 1HD ARG 21 9.436 6.509 3.767 170 2HD ARG 21 2HD ARG 21 11.173 6.219 3.868 171 HE ARG 21 HE ARG 21 9.976 8.032 1.807 172 1HH1 ARG 21 1HH2 ARG 21 10.780 9.455 4.237 173 2HH1 ARG 21 2HH2 ARG 21 12.440 9.852 3.938 174 1HH2 ARG 21 1HH1 ARG 21 12.805 7.561 1.366 175 2HH2 ARG 21 2HH1 ARG 21 13.583 8.785 2.313 176 H SER 22 H SER 22 9.497 1.073 0.232 177 HA SER 22 HA SER 22 11.066 2.666 -1.745 178 1HB SER 22 1HB SER 22 11.719 0.123 -0.580 179 2HB SER 22 2HB SER 22 11.356 -0.119 -2.287 180 HG SER 22 HG SER 22 13.287 0.645 -2.593 181 H VAL 23 H VAL 23 8.329 2.842 -1.666 182 HA VAL 23 HA VAL 23 6.748 0.966 -2.954 183 HB VAL 23 HB VAL 23 5.824 3.054 -2.137 184 1HG1 VAL 23 1HG1 VAL 23 8.031 4.162 -3.591 185 2HG1 VAL 23 2HG1 VAL 23 6.543 4.886 -4.197 186 3HG1 VAL 23 3HG1 VAL 23 6.932 4.979 -2.479 187 1HG2 VAL 23 1HG2 VAL 23 4.847 1.848 -4.200 188 2HG2 VAL 23 2HG2 VAL 23 4.311 3.500 -3.894 189 3HG2 VAL 23 3HG2 VAL 23 5.524 3.182 -5.134 190 H ILE 24 H ILE 24 9.373 2.836 -4.283 191 HA ILE 24 HA ILE 24 8.602 2.161 -7.037 192 HB ILE 24 HB ILE 24 10.196 4.194 -5.802 193 1HG1 ILE 24 1HG1 ILE 24 10.294 4.636 -8.522 194 2HG1 ILE 24 2HG1 ILE 24 8.878 3.597 -8.354 195 1HG2 ILE 24 1HG2 ILE 24 12.088 2.549 -6.340 196 2HG2 ILE 24 2HG2 ILE 24 11.714 2.842 -8.039 197 3HG2 ILE 24 3HG2 ILE 24 12.247 4.173 -7.011 198 1HD1 ILE 24 1HD1 ILE 24 9.195 5.838 -6.404 199 2HD1 ILE 24 2HD1 ILE 24 8.701 6.242 -8.048 200 3HD1 ILE 24 3HD1 ILE 24 7.724 5.138 -7.080 201 H LYS 25 H LYS 25 9.515 0.256 -4.830 202 HA LYS 25 HA LYS 25 10.791 -1.692 -4.677 203 1HB LYS 25 1HB LYS 25 10.748 -1.505 -7.701 204 2HB LYS 25 2HB LYS 25 10.904 -2.955 -6.716 205 1HG LYS 25 1HG LYS 25 8.663 -3.153 -6.795 206 2HG LYS 25 2HG LYS 25 8.577 -1.712 -5.781 207 1HD LYS 25 1HD LYS 25 7.511 -0.714 -7.502 208 2HD LYS 25 2HD LYS 25 9.068 -0.704 -8.332 209 1HE LYS 25 1HE LYS 25 8.165 -2.072 -9.897 210 2HE LYS 25 2HE LYS 25 8.015 -3.325 -8.647 211 1HZ LYS 25 1HZ LYS 25 6.077 -1.100 -8.980 212 2HZ LYS 25 2HZ LYS 25 5.860 -2.632 -9.679 213 3HZ LYS 25 3HZ LYS 25 5.915 -2.471 -7.989 214 H ALA 26 H ALA 26 12.575 -1.571 -7.560 215 HA ALA 26 HA ALA 26 15.065 -1.302 -6.218 216 1HB ALA 26 1HB ALA 26 14.216 -1.103 -9.099 217 2HB ALA 26 2HB ALA 26 15.879 -0.742 -8.637 218 3HB ALA 26 3HB ALA 26 15.203 -2.339 -8.319 Start of MODEL 7 1 1H MET 1 1H MET 1 -13.133 -2.533 -3.151 2 2H MET 1 2H MET 1 -12.326 -3.640 -2.146 3 3H MET 1 3H MET 1 -13.905 -3.971 -2.674 4 HA MET 1 HA MET 1 -14.867 -2.631 -1.137 5 1HB MET 1 1HB MET 1 -12.135 -3.499 -0.221 6 2HB MET 1 2HB MET 1 -13.176 -2.592 0.879 7 1HG MET 1 1HG MET 1 -13.741 -4.832 1.336 8 2HG MET 1 2HG MET 1 -15.004 -4.317 0.218 9 1HE MET 1 1HE MET 1 -15.748 -5.400 -1.408 10 2HE MET 1 2HE MET 1 -15.077 -6.746 -2.341 11 3HE MET 1 3HE MET 1 -15.552 -6.985 -0.662 12 HA PRO 2 HA PRO 2 -13.789 1.618 -1.218 13 1HB PRO 2 1HB PRO 2 -14.518 2.481 1.275 14 2HB PRO 2 2HB PRO 2 -15.697 2.039 0.024 15 1HG PRO 2 1HG PRO 2 -14.757 0.478 2.373 16 2HG PRO 2 2HG PRO 2 -16.375 0.586 1.661 17 1HD PRO 2 1HD PRO 2 -14.671 -1.516 1.259 18 2HD PRO 2 2HD PRO 2 -15.939 -1.035 0.112 19 H GLY 3 H GLY 3 -12.438 3.341 -0.029 20 1HA GLY 3 1HA GLY 3 -10.665 2.811 2.088 21 2HA GLY 3 2HA GLY 3 -9.848 2.265 0.622 22 H THR 4 H THR 4 -8.342 4.104 1.321 23 HA THR 4 HA THR 4 -9.352 6.822 0.848 24 HB THR 4 HB THR 4 -7.523 6.210 2.530 25 HG1 THR 4 HG1 THR 4 -7.872 8.340 1.833 26 1HG2 THR 4 1HG2 THR 4 -6.385 5.037 0.254 27 2HG2 THR 4 2HG2 THR 4 -5.408 6.474 0.557 28 3HG2 THR 4 3HG2 THR 4 -5.607 5.259 1.821 29 H ILE 5 H ILE 5 -9.805 5.310 -1.401 30 HA ILE 5 HA ILE 5 -9.118 4.875 -3.638 31 HB ILE 5 HB ILE 5 -9.261 7.821 -3.117 32 1HG1 ILE 5 1HG1 ILE 5 -11.270 6.749 -4.856 33 2HG1 ILE 5 2HG1 ILE 5 -11.148 5.716 -3.432 34 1HG2 ILE 5 1HG2 ILE 5 -8.332 6.386 -5.490 35 2HG2 ILE 5 2HG2 ILE 5 -9.727 7.407 -5.836 36 3HG2 ILE 5 3HG2 ILE 5 -8.268 8.114 -5.140 37 1HD1 ILE 5 1HD1 ILE 5 -11.018 8.559 -2.761 38 2HD1 ILE 5 2HD1 ILE 5 -12.524 8.126 -3.569 39 3HD1 ILE 5 3HD1 ILE 5 -12.049 7.297 -2.088 40 H LYS 6 H LYS 6 -6.969 4.062 -2.754 41 HA LYS 6 HA LYS 6 -4.836 4.676 -4.412 42 1HB LYS 6 1HB LYS 6 -5.174 6.861 -2.715 43 2HB LYS 6 2HB LYS 6 -3.897 5.939 -1.938 44 1HG LYS 6 1HG LYS 6 -3.076 7.620 -3.629 45 2HG LYS 6 2HG LYS 6 -2.549 5.966 -3.932 46 1HD LYS 6 1HD LYS 6 -3.629 5.897 -5.912 47 2HD LYS 6 2HD LYS 6 -5.113 6.529 -5.200 48 1HE LYS 6 1HE LYS 6 -2.876 8.474 -5.522 49 2HE LYS 6 2HE LYS 6 -3.698 7.946 -7.004 50 1HZ LYS 6 1HZ LYS 6 -5.826 8.413 -5.937 51 2HZ LYS 6 2HZ LYS 6 -5.023 8.964 -4.545 52 3HZ LYS 6 3HZ LYS 6 -4.869 9.812 -6.010 53 H GLU 7 H GLU 7 -5.683 2.316 -3.340 54 HA GLU 7 HA GLU 7 -3.270 1.383 -2.000 55 1HB GLU 7 1HB GLU 7 -4.961 2.411 -0.230 56 2HB GLU 7 2HB GLU 7 -5.744 0.840 -0.412 57 1HG GLU 7 1HG GLU 7 -4.039 -0.273 0.613 58 2HG GLU 7 2HG GLU 7 -2.802 0.750 -0.120 59 H ASN 8 H ASN 8 -3.985 0.449 -4.344 60 HA ASN 8 HA ASN 8 -5.553 -2.047 -3.846 61 1HB ASN 8 1HB ASN 8 -5.914 -0.212 -5.840 62 2HB ASN 8 2HB ASN 8 -4.820 -1.352 -6.627 63 1HD2 ASN 8 2HD2 ASN 8 -8.101 -0.831 -5.722 64 2HD2 ASN 8 1HD2 ASN 8 -8.676 -2.392 -6.061 65 H ILE 9 H ILE 9 -2.901 -1.844 -2.922 66 HA ILE 9 HA ILE 9 -1.134 -3.129 -4.882 67 HB ILE 9 HB ILE 9 -0.464 -2.950 -1.983 68 1HG1 ILE 9 1HG1 ILE 9 -1.519 -0.816 -2.237 69 2HG1 ILE 9 2HG1 ILE 9 0.205 -0.525 -2.417 70 1HG2 ILE 9 1HG2 ILE 9 0.884 -3.116 -4.568 71 2HG2 ILE 9 2HG2 ILE 9 1.546 -1.837 -3.550 72 3HG2 ILE 9 3HG2 ILE 9 1.496 -3.497 -2.958 73 1HD1 ILE 9 1HD1 ILE 9 -0.674 -1.164 -4.997 74 2HD1 ILE 9 2HD1 ILE 9 -1.927 -0.110 -4.340 75 3HD1 ILE 9 3HD1 ILE 9 -0.252 0.440 -4.399 76 H ILE 10 H ILE 10 -0.097 -5.196 -4.421 77 HA ILE 10 HA ILE 10 -1.977 -7.113 -3.209 78 HB ILE 10 HB ILE 10 0.578 -7.505 -4.781 79 1HG1 ILE 10 1HG1 ILE 10 -1.265 -8.523 -6.338 80 2HG1 ILE 10 2HG1 ILE 10 -2.353 -7.508 -5.403 81 1HG2 ILE 10 1HG2 ILE 10 -1.020 -9.325 -3.137 82 2HG2 ILE 10 2HG2 ILE 10 -0.876 -9.876 -4.805 83 3HG2 ILE 10 3HG2 ILE 10 0.574 -9.569 -3.849 84 1HD1 ILE 10 1HD1 ILE 10 0.154 -6.256 -6.411 85 2HD1 ILE 10 2HD1 ILE 10 -1.115 -6.593 -7.590 86 3HD1 ILE 10 3HD1 ILE 10 -1.451 -5.554 -6.205 87 H PHE 11 H PHE 11 -0.064 -5.163 -1.890 88 HA PHE 11 HA PHE 11 0.991 -7.077 0.110 89 1HB PHE 11 1HB PHE 11 2.701 -5.952 -1.618 90 2HB PHE 11 2HB PHE 11 2.579 -4.615 -0.477 91 HD1 PHE 11 HD1 PHE 11 2.962 -8.354 -0.433 92 HD2 PHE 11 HD2 PHE 11 4.061 -4.585 1.306 93 HE1 PHE 11 HE1 PHE 11 4.523 -9.518 1.101 94 HE2 PHE 11 HE2 PHE 11 5.623 -5.745 2.839 95 HZ PHE 11 HZ PHE 11 5.855 -8.213 2.738 96 H GLY 12 H GLY 12 -1.309 -5.173 -0.217 97 1HA GLY 12 1HA GLY 12 -0.765 -3.292 2.030 98 2HA GLY 12 2HA GLY 12 -2.124 -3.184 0.923 99 H VAL 13 H VAL 13 -0.876 -5.853 2.853 100 HA VAL 13 HA VAL 13 -3.564 -6.674 3.640 101 HB VAL 13 HB VAL 13 -1.740 -8.295 3.205 102 1HG1 VAL 13 1HG1 VAL 13 -0.477 -6.627 5.334 103 2HG1 VAL 13 2HG1 VAL 13 -0.130 -8.355 5.352 104 3HG1 VAL 13 3HG1 VAL 13 0.254 -7.393 3.926 105 1HG2 VAL 13 1HG2 VAL 13 -3.662 -8.491 5.056 106 2HG2 VAL 13 2HG2 VAL 13 -2.438 -9.747 4.865 107 3HG2 VAL 13 3HG2 VAL 13 -2.269 -8.538 6.138 108 H SER 14 H SER 14 -3.087 -4.075 4.559 109 HA SER 14 HA SER 14 -3.346 -2.786 6.483 110 1HB SER 14 1HB SER 14 -4.990 -4.145 7.376 111 2HB SER 14 2HB SER 14 -3.946 -5.555 7.445 112 HG SER 14 HG SER 14 -3.475 -3.239 8.999 113 H TYR 15 H TYR 15 -0.995 -2.394 6.013 114 HA TYR 15 HA TYR 15 0.636 -3.257 8.355 115 1HB TYR 15 1HB TYR 15 1.085 -4.125 5.744 116 2HB TYR 15 2HB TYR 15 2.218 -2.789 5.943 117 HD1 TYR 15 HD1 TYR 15 0.899 -5.276 8.412 118 HD2 TYR 15 HD2 TYR 15 4.330 -3.722 6.348 119 HE1 TYR 15 HE1 TYR 15 2.378 -6.727 9.777 120 HE2 TYR 15 HE2 TYR 15 5.810 -5.173 7.711 121 HH TYR 15 HH TYR 15 4.983 -6.530 10.500 122 H ASP 16 H ASP 16 -0.702 -0.919 8.446 123 HA ASP 16 HA ASP 16 -0.507 1.424 8.465 124 1HB ASP 16 1HB ASP 16 0.961 0.928 10.294 125 2HB ASP 16 2HB ASP 16 2.260 0.456 9.199 126 H GLU 17 H GLU 17 -0.705 0.946 5.940 127 HA GLU 17 HA GLU 17 -0.008 1.493 3.759 128 1HB GLU 17 1HB GLU 17 0.614 3.744 5.561 129 2HB GLU 17 2HB GLU 17 1.497 3.765 4.033 130 1HG GLU 17 1HG GLU 17 -0.475 3.835 2.751 131 2HG GLU 17 2HG GLU 17 -1.470 3.249 4.085 132 H TYR 18 H TYR 18 1.487 -0.516 4.249 133 HA TYR 18 HA TYR 18 3.606 -1.530 4.121 134 1HB TYR 18 1HB TYR 18 4.876 0.388 2.423 135 2HB TYR 18 2HB TYR 18 4.233 -1.188 1.983 136 HD1 TYR 18 HD1 TYR 18 1.631 -1.309 1.667 137 HD2 TYR 18 HD2 TYR 18 3.912 2.329 1.547 138 HE1 TYR 18 HE1 TYR 18 -0.202 -0.203 0.417 139 HE2 TYR 18 HE2 TYR 18 2.078 3.436 0.297 140 HH TYR 18 HH TYR 18 -0.945 2.414 0.179 141 H ARG 19 H ARG 19 3.524 -0.143 6.434 142 HA ARG 19 HA ARG 19 4.741 1.208 7.941 143 1HB ARG 19 1HB ARG 19 6.026 -0.899 7.818 144 2HB ARG 19 2HB ARG 19 6.940 -0.254 6.459 145 1HG ARG 19 1HG ARG 19 7.987 1.404 7.818 146 2HG ARG 19 2HG ARG 19 6.837 1.158 9.130 147 1HD ARG 19 1HD ARG 19 7.954 -0.659 9.932 148 2HD ARG 19 2HD ARG 19 8.341 -1.254 8.318 149 HE ARG 19 HE ARG 19 9.818 1.147 9.175 150 1HH1 ARG 19 1HH1 ARG 19 10.070 -1.660 7.472 151 2HH1 ARG 19 2HH1 ARG 19 11.597 -2.159 8.119 152 1HH2 ARG 19 1HH2 ARG 19 11.622 0.245 10.616 153 2HH2 ARG 19 2HH2 ARG 19 12.476 -1.080 9.900 154 H TYR 20 H TYR 20 4.004 2.658 5.650 155 HA TYR 20 HA TYR 20 4.558 4.619 4.486 156 1HB TYR 20 1HB TYR 20 5.169 5.314 6.835 157 2HB TYR 20 2HB TYR 20 6.823 4.803 6.495 158 HD1 TYR 20 HD1 TYR 20 4.119 7.114 5.397 159 HD2 TYR 20 HD2 TYR 20 8.303 6.166 5.243 160 HE1 TYR 20 HE1 TYR 20 4.573 9.295 4.304 161 HE2 TYR 20 HE2 TYR 20 8.759 8.346 4.151 162 HH TYR 20 HH TYR 20 6.106 10.581 3.334 163 H ARG 21 H ARG 21 5.358 2.510 3.100 164 HA ARG 21 HA ARG 21 7.738 3.433 1.734 165 1HB ARG 21 1HB ARG 21 8.527 2.096 3.845 166 2HB ARG 21 2HB ARG 21 8.042 0.683 2.908 167 1HG ARG 21 1HG ARG 21 9.477 1.521 1.023 168 2HG ARG 21 2HG ARG 21 10.059 2.796 2.096 169 1HD ARG 21 1HD ARG 21 11.419 1.377 3.224 170 2HD ARG 21 2HD ARG 21 10.184 0.120 3.298 171 HE ARG 21 HE ARG 21 11.055 -0.804 1.288 172 1HH1 ARG 21 1HH1 ARG 21 11.597 2.433 0.834 173 2HH1 ARG 21 2HH1 ARG 21 13.189 2.275 0.170 174 1HH2 ARG 21 1HH2 ARG 21 13.464 -1.093 0.948 175 2HH2 ARG 21 2HH2 ARG 21 14.247 0.276 0.232 176 H SER 22 H SER 22 6.304 3.333 -0.053 177 HA SER 22 HA SER 22 5.113 0.747 -0.783 178 1HB SER 22 1HB SER 22 4.480 3.448 -1.314 179 2HB SER 22 2HB SER 22 4.989 2.767 -2.858 180 HG SER 22 HG SER 22 3.538 0.918 -1.977 181 H VAL 23 H VAL 23 7.650 0.239 -0.657 182 HA VAL 23 HA VAL 23 9.575 0.869 -2.464 183 HB VAL 23 HB VAL 23 9.760 -0.952 -0.792 184 1HG1 VAL 23 1HG1 VAL 23 7.445 -1.891 -1.845 185 2HG1 VAL 23 2HG1 VAL 23 8.601 -2.927 -2.683 186 3HG1 VAL 23 3HG1 VAL 23 8.560 -2.899 -0.920 187 1HG2 VAL 23 1HG2 VAL 23 10.394 -1.752 -3.648 188 2HG2 VAL 23 2HG2 VAL 23 11.423 -0.786 -2.589 189 3HG2 VAL 23 3HG2 VAL 23 11.109 -2.480 -2.209 190 H ILE 24 H ILE 24 6.549 -0.748 -3.255 191 HA ILE 24 HA ILE 24 7.503 -1.339 -5.963 192 HB ILE 24 HB ILE 24 5.621 -2.517 -4.300 193 1HG1 ILE 24 1HG1 ILE 24 5.035 -3.749 -6.541 194 2HG1 ILE 24 2HG1 ILE 24 6.326 -2.747 -7.208 195 1HG2 ILE 24 1HG2 ILE 24 4.088 -0.576 -5.122 196 2HG2 ILE 24 2HG2 ILE 24 4.047 -1.465 -6.644 197 3HG2 ILE 24 3HG2 ILE 24 3.457 -2.223 -5.165 198 1HD1 ILE 24 1HD1 ILE 24 6.760 -4.289 -4.658 199 2HD1 ILE 24 2HD1 ILE 24 6.950 -5.081 -6.223 200 3HD1 ILE 24 3HD1 ILE 24 7.958 -3.695 -5.808 201 H LYS 25 H LYS 25 7.090 1.443 -4.812 202 HA LYS 25 HA LYS 25 6.150 3.502 -5.516 203 1HB LYS 25 1HB LYS 25 7.749 2.458 -7.435 204 2HB LYS 25 2HB LYS 25 6.236 2.560 -8.337 205 1HG LYS 25 1HG LYS 25 6.158 4.870 -8.212 206 2HG LYS 25 2HG LYS 25 7.072 4.926 -6.705 207 1HD LYS 25 1HD LYS 25 9.103 4.185 -7.980 208 2HD LYS 25 2HD LYS 25 8.168 4.329 -9.467 209 1HE LYS 25 1HE LYS 25 8.498 6.569 -9.519 210 2HE LYS 25 2HE LYS 25 7.911 6.738 -7.852 211 1HZ LYS 25 1HZ LYS 25 10.537 5.508 -8.330 212 2HZ LYS 25 2HZ LYS 25 10.405 7.201 -8.405 213 3HZ LYS 25 3HZ LYS 25 9.987 6.381 -6.981 214 H ALA 26 H ALA 26 4.676 3.696 -8.144 215 HA ALA 26 HA ALA 26 2.379 2.047 -8.188 216 1HB ALA 26 1HB ALA 26 2.368 4.135 -6.110 217 2HB ALA 26 2HB ALA 26 0.952 4.161 -7.161 218 3HB ALA 26 3HB ALA 26 1.358 2.697 -6.265 Start of MODEL 8 1 1H MET 1 1H MET 1 -25.424 4.325 0.334 2 2H MET 1 2H MET 1 -24.130 4.662 1.382 3 3H MET 1 3H MET 1 -24.414 5.654 0.032 4 HA MET 1 HA MET 1 -23.614 4.093 -1.469 5 1HB MET 1 1HB MET 1 -22.191 4.870 0.844 6 2HB MET 1 2HB MET 1 -21.756 3.185 0.556 7 1HG MET 1 1HG MET 1 -21.733 4.318 -1.988 8 2HG MET 1 2HG MET 1 -21.029 5.570 -0.964 9 1HE MET 1 1HE MET 1 -19.642 4.340 -3.242 10 2HE MET 1 2HE MET 1 -18.430 3.087 -2.945 11 3HE MET 1 3HE MET 1 -20.126 2.649 -3.134 12 HA PRO 2 HA PRO 2 -25.223 0.043 -0.635 13 1HB PRO 2 1HB PRO 2 -24.583 -1.059 -3.050 14 2HB PRO 2 2HB PRO 2 -25.938 0.063 -2.830 15 1HG PRO 2 1HG PRO 2 -23.269 0.536 -4.012 16 2HG PRO 2 2HG PRO 2 -24.825 1.282 -4.395 17 1HD PRO 2 1HD PRO 2 -22.801 2.431 -2.864 18 2HD PRO 2 2HD PRO 2 -24.494 2.966 -2.920 19 H GLY 3 H GLY 3 -22.645 0.543 0.514 20 1HA GLY 3 1HA GLY 3 -21.590 -1.920 1.043 21 2HA GLY 3 2HA GLY 3 -20.797 -1.513 -0.476 22 H THR 4 H THR 4 -19.522 -1.858 2.079 23 HA THR 4 HA THR 4 -18.419 0.887 2.468 24 HB THR 4 HB THR 4 -19.837 -0.042 4.363 25 HG1 THR 4 HG1 THR 4 -17.763 1.392 4.400 26 1HG2 THR 4 1HG2 THR 4 -18.277 -2.317 3.920 27 2HG2 THR 4 2HG2 THR 4 -17.675 -1.655 5.440 28 3HG2 THR 4 3HG2 THR 4 -19.386 -2.050 5.265 29 H ILE 5 H ILE 5 -17.047 -0.227 0.610 30 HA ILE 5 HA ILE 5 -14.720 -1.508 1.949 31 HB ILE 5 HB ILE 5 -15.989 -2.271 -0.682 32 1HG1 ILE 5 1HG1 ILE 5 -15.068 -4.259 1.308 33 2HG1 ILE 5 2HG1 ILE 5 -16.396 -3.228 1.846 34 1HG2 ILE 5 1HG2 ILE 5 -13.197 -2.253 0.130 35 2HG2 ILE 5 2HG2 ILE 5 -13.758 -3.894 -0.188 36 3HG2 ILE 5 3HG2 ILE 5 -13.896 -2.656 -1.438 37 1HD1 ILE 5 1HD1 ILE 5 -17.378 -3.782 -0.539 38 2HD1 ILE 5 2HD1 ILE 5 -16.313 -5.183 -0.420 39 3HD1 ILE 5 3HD1 ILE 5 -17.571 -4.926 0.790 40 H LYS 6 H LYS 6 -14.041 0.764 1.984 41 HA LYS 6 HA LYS 6 -12.745 1.527 -0.589 42 1HB LYS 6 1HB LYS 6 -14.503 3.179 1.186 43 2HB LYS 6 2HB LYS 6 -13.162 3.969 0.360 44 1HG LYS 6 1HG LYS 6 -14.957 2.155 -1.212 45 2HG LYS 6 2HG LYS 6 -15.521 3.780 -0.819 46 1HD LYS 6 1HD LYS 6 -12.913 3.116 -2.219 47 2HD LYS 6 2HD LYS 6 -14.364 3.745 -3.001 48 1HE LYS 6 1HE LYS 6 -14.220 5.732 -1.399 49 2HE LYS 6 2HE LYS 6 -12.597 5.148 -0.978 50 1HZ LYS 6 1HZ LYS 6 -12.203 5.021 -3.455 51 2HZ LYS 6 2HZ LYS 6 -13.609 5.956 -3.643 52 3HZ LYS 6 3HZ LYS 6 -12.281 6.584 -2.796 53 H GLU 7 H GLU 7 -11.209 0.154 1.080 54 HA GLU 7 HA GLU 7 -9.386 2.207 2.144 55 1HB GLU 7 1HB GLU 7 -11.041 1.289 3.977 56 2HB GLU 7 2HB GLU 7 -9.983 -0.121 3.940 57 1HG GLU 7 1HG GLU 7 -8.130 1.080 4.701 58 2HG GLU 7 2HG GLU 7 -8.784 2.625 4.157 59 H ASN 8 H ASN 8 -9.565 0.112 0.035 60 HA ASN 8 HA ASN 8 -8.415 -1.960 -0.531 61 1HB ASN 8 1HB ASN 8 -6.280 0.090 -0.858 62 2HB ASN 8 2HB ASN 8 -6.905 -1.083 -2.005 63 1HD2 ASN 8 2HD2 ASN 8 -8.185 -0.179 -3.613 64 2HD2 ASN 8 1HD2 ASN 8 -9.099 1.242 -3.445 65 H ILE 9 H ILE 9 -8.255 -2.471 1.985 66 HA ILE 9 HA ILE 9 -5.895 -2.123 3.454 67 HB ILE 9 HB ILE 9 -7.608 -4.613 3.277 68 1HG1 ILE 9 1HG1 ILE 9 -8.685 -2.352 3.870 69 2HG1 ILE 9 2HG1 ILE 9 -8.917 -3.667 5.020 70 1HG2 ILE 9 1HG2 ILE 9 -5.568 -3.683 5.313 71 2HG2 ILE 9 2HG2 ILE 9 -6.738 -4.964 5.626 72 3HG2 ILE 9 3HG2 ILE 9 -5.525 -5.167 4.364 73 1HD1 ILE 9 1HD1 ILE 9 -6.472 -2.106 5.499 74 2HD1 ILE 9 2HD1 ILE 9 -7.954 -1.165 5.662 75 3HD1 ILE 9 3HD1 ILE 9 -7.718 -2.617 6.636 76 H ILE 10 H ILE 10 -6.076 -5.444 2.626 77 HA ILE 10 HA ILE 10 -4.441 -6.861 1.733 78 HB ILE 10 HB ILE 10 -4.343 -4.486 -0.132 79 1HG1 ILE 10 1HG1 ILE 10 -5.462 -6.268 -1.623 80 2HG1 ILE 10 2HG1 ILE 10 -5.680 -7.192 -0.134 81 1HG2 ILE 10 1HG2 ILE 10 -2.965 -7.179 -0.349 82 2HG2 ILE 10 2HG2 ILE 10 -3.152 -6.058 -1.698 83 3HG2 ILE 10 3HG2 ILE 10 -2.188 -5.597 -0.295 84 1HD1 ILE 10 1HD1 ILE 10 -6.480 -4.330 -0.035 85 2HD1 ILE 10 2HD1 ILE 10 -7.497 -5.395 -1.007 86 3HD1 ILE 10 3HD1 ILE 10 -7.242 -5.738 0.704 87 H PHE 11 H PHE 11 -1.974 -6.930 1.261 88 HA PHE 11 HA PHE 11 -0.651 -5.327 3.342 89 1HB PHE 11 1HB PHE 11 -0.189 -7.865 2.018 90 2HB PHE 11 2HB PHE 11 1.269 -6.873 1.991 91 HD1 PHE 11 HD1 PHE 11 -1.522 -7.197 4.472 92 HD2 PHE 11 HD2 PHE 11 2.690 -7.554 3.714 93 HE1 PHE 11 HE1 PHE 11 -1.136 -7.702 6.866 94 HE2 PHE 11 HE2 PHE 11 3.080 -8.058 6.111 95 HZ PHE 11 HZ PHE 11 1.166 -8.133 7.688 96 H GLY 12 H GLY 12 -1.480 -3.625 1.335 97 1HA GLY 12 1HA GLY 12 1.135 -2.718 0.291 98 2HA GLY 12 2HA GLY 12 -0.082 -3.101 -0.919 99 H VAL 13 H VAL 13 -1.453 -1.880 1.948 100 HA VAL 13 HA VAL 13 -2.008 0.641 0.543 101 HB VAL 13 HB VAL 13 -3.864 -0.719 1.540 102 1HG1 VAL 13 1HG1 VAL 13 -2.179 -1.055 3.646 103 2HG1 VAL 13 2HG1 VAL 13 -3.177 0.266 4.253 104 3HG1 VAL 13 3HG1 VAL 13 -3.928 -1.253 3.763 105 1HG2 VAL 13 1HG2 VAL 13 -3.339 2.094 1.803 106 2HG2 VAL 13 2HG2 VAL 13 -4.884 1.280 1.544 107 3HG2 VAL 13 3HG2 VAL 13 -4.292 1.547 3.183 108 H SER 14 H SER 14 0.470 -0.213 2.176 109 HA SER 14 HA SER 14 1.294 2.362 2.992 110 1HB SER 14 1HB SER 14 -0.580 1.709 4.718 111 2HB SER 14 2HB SER 14 0.689 0.724 5.429 112 HG SER 14 HG SER 14 0.895 2.684 6.382 113 H TYR 15 H TYR 15 2.236 -0.352 1.930 114 HA TYR 15 HA TYR 15 4.889 -0.207 2.965 115 1HB TYR 15 1HB TYR 15 4.398 -2.848 3.734 116 2HB TYR 15 2HB TYR 15 4.696 -1.482 4.800 117 HD1 TYR 15 HD1 TYR 15 1.792 -2.597 2.696 118 HD2 TYR 15 HD2 TYR 15 3.197 -1.380 6.568 119 HE1 TYR 15 HE1 TYR 15 -0.518 -2.760 3.587 120 HE2 TYR 15 HE2 TYR 15 0.889 -1.541 7.459 121 HH TYR 15 HH TYR 15 -1.798 -2.669 5.409 122 H ASP 16 H ASP 16 3.374 -0.379 0.488 123 HA ASP 16 HA ASP 16 5.129 -2.208 -0.911 124 1HB ASP 16 1HB ASP 16 3.135 -3.620 0.015 125 2HB ASP 16 2HB ASP 16 2.201 -2.818 -1.247 126 H GLU 17 H GLU 17 4.154 0.597 -0.797 127 HA GLU 17 HA GLU 17 3.729 0.891 -3.720 128 1HB GLU 17 1HB GLU 17 1.552 1.160 -2.328 129 2HB GLU 17 2HB GLU 17 2.271 2.667 -1.760 130 1HG GLU 17 1HG GLU 17 2.036 3.702 -3.783 131 2HG GLU 17 2HG GLU 17 2.364 2.226 -4.691 132 H TYR 18 H TYR 18 5.703 1.423 -1.241 133 HA TYR 18 HA TYR 18 6.336 4.251 -1.752 134 1HB TYR 18 1HB TYR 18 6.947 2.265 0.285 135 2HB TYR 18 2HB TYR 18 8.417 3.058 -0.281 136 HD1 TYR 18 HD1 TYR 18 8.745 5.460 -0.013 137 HD2 TYR 18 HD2 TYR 18 5.175 3.527 1.385 138 HE1 TYR 18 HE1 TYR 18 8.174 7.478 1.314 139 HE2 TYR 18 HE2 TYR 18 4.601 5.544 2.713 140 HH TYR 18 HH TYR 18 6.251 8.536 2.306 141 H ARG 19 H ARG 19 6.645 1.764 -3.679 142 HA ARG 19 HA ARG 19 8.228 1.038 -5.256 143 1HB ARG 19 1HB ARG 19 7.937 3.336 -6.043 144 2HB ARG 19 2HB ARG 19 9.075 3.913 -4.830 145 1HG ARG 19 1HG ARG 19 10.918 2.946 -5.920 146 2HG ARG 19 2HG ARG 19 9.909 1.818 -6.823 147 1HD ARG 19 1HD ARG 19 9.083 3.559 -8.247 148 2HD ARG 19 2HD ARG 19 9.779 4.814 -7.222 149 HE ARG 19 HE ARG 19 11.595 2.881 -8.578 150 1HH1 ARG 19 1HH1 ARG 19 11.506 5.822 -7.082 151 2HH1 ARG 19 2HH1 ARG 19 12.282 6.717 -8.346 152 1HH2 ARG 19 1HH2 ARG 19 12.106 4.128 -10.649 153 2HH2 ARG 19 2HH2 ARG 19 12.619 5.759 -10.367 154 H TYR 20 H TYR 20 8.685 0.627 -2.457 155 HA TYR 20 HA TYR 20 10.396 0.173 -0.905 156 1HB TYR 20 1HB TYR 20 11.814 -0.723 -3.420 157 2HB TYR 20 2HB TYR 20 11.988 -1.374 -1.790 158 HD1 TYR 20 HD1 TYR 20 9.478 -0.857 -4.508 159 HD2 TYR 20 HD2 TYR 20 10.595 -3.109 -1.024 160 HE1 TYR 20 HE1 TYR 20 7.592 -2.417 -4.911 161 HE2 TYR 20 HE2 TYR 20 8.712 -4.670 -1.428 162 HH TYR 20 HH TYR 20 6.802 -4.527 -4.361 163 H ARG 21 H ARG 21 10.532 2.773 -1.170 164 HA ARG 21 HA ARG 21 13.211 3.569 -2.143 165 1HB ARG 21 1HB ARG 21 11.064 4.935 -2.520 166 2HB ARG 21 2HB ARG 21 11.168 5.350 -0.809 167 1HG ARG 21 1HG ARG 21 13.251 6.456 -1.089 168 2HG ARG 21 2HG ARG 21 13.505 5.741 -2.681 169 1HD ARG 21 1HD ARG 21 12.567 8.252 -2.340 170 2HD ARG 21 2HD ARG 21 12.145 7.255 -3.732 171 HE ARG 21 HE ARG 21 9.980 6.842 -2.727 172 1HH1 ARG 21 1HH1 ARG 21 11.001 6.970 0.157 173 2HH1 ARG 21 2HH1 ARG 21 10.224 8.414 0.715 174 1HH2 ARG 21 1HH2 ARG 21 9.428 9.535 -2.468 175 2HH2 ARG 21 2HH2 ARG 21 9.337 9.869 -0.770 176 H SER 22 H SER 22 13.244 1.802 0.064 177 HA SER 22 HA SER 22 15.069 2.939 1.808 178 1HB SER 22 1HB SER 22 12.297 3.749 2.440 179 2HB SER 22 2HB SER 22 13.223 3.138 3.809 180 HG SER 22 HG SER 22 13.826 5.289 2.067 181 H VAL 23 H VAL 23 14.408 0.404 0.704 182 HA VAL 23 HA VAL 23 14.257 -1.186 3.221 183 HB VAL 23 HB VAL 23 12.910 -2.006 0.636 184 1HG1 VAL 23 1HG1 VAL 23 13.295 -3.180 3.348 185 2HG1 VAL 23 2HG1 VAL 23 11.718 -3.420 2.595 186 3HG1 VAL 23 3HG1 VAL 23 13.179 -3.982 1.783 187 1HG2 VAL 23 1HG2 VAL 23 11.806 -0.006 1.606 188 2HG2 VAL 23 2HG2 VAL 23 10.785 -1.437 1.752 189 3HG2 VAL 23 3HG2 VAL 23 11.673 -0.840 3.153 190 H ILE 24 H ILE 24 14.789 -1.586 -0.303 191 HA ILE 24 HA ILE 24 16.918 -3.526 0.263 192 HB ILE 24 HB ILE 24 15.051 -3.385 -1.712 193 1HG1 ILE 24 1HG1 ILE 24 16.418 -5.105 -2.857 194 2HG1 ILE 24 2HG1 ILE 24 17.805 -4.634 -1.870 195 1HG2 ILE 24 1HG2 ILE 24 16.625 -1.388 -2.573 196 2HG2 ILE 24 2HG2 ILE 24 17.487 -2.744 -3.300 197 3HG2 ILE 24 3HG2 ILE 24 15.787 -2.474 -3.684 198 1HD1 ILE 24 1HD1 ILE 24 15.523 -5.040 -0.168 199 2HD1 ILE 24 2HD1 ILE 24 15.749 -6.461 -1.189 200 3HD1 ILE 24 3HD1 ILE 24 17.067 -5.893 -0.162 201 H LYS 25 H LYS 25 17.297 -0.744 1.054 202 HA LYS 25 HA LYS 25 19.932 -0.348 -0.171 203 1HB LYS 25 1HB LYS 25 17.883 0.927 -1.429 204 2HB LYS 25 2HB LYS 25 18.308 2.131 -0.213 205 1HG LYS 25 1HG LYS 25 20.468 2.411 -1.047 206 2HG LYS 25 2HG LYS 25 20.489 0.818 -1.805 207 1HD LYS 25 1HD LYS 25 18.819 1.589 -3.461 208 2HD LYS 25 2HD LYS 25 18.830 3.189 -2.716 209 1HE LYS 25 1HE LYS 25 21.389 3.161 -3.141 210 2HE LYS 25 2HE LYS 25 21.043 1.826 -4.258 211 1HZ LYS 25 1HZ LYS 25 19.370 4.243 -4.337 212 2HZ LYS 25 2HZ LYS 25 20.891 4.273 -5.094 213 3HZ LYS 25 3HZ LYS 25 19.725 3.141 -5.579 214 H ALA 26 H ALA 26 21.259 1.065 1.118 215 HA ALA 26 HA ALA 26 20.026 2.107 3.615 216 1HB ALA 26 1HB ALA 26 20.939 -0.198 4.053 217 2HB ALA 26 2HB ALA 26 22.535 0.403 3.600 218 3HB ALA 26 3HB ALA 26 21.711 1.063 5.012 Start of MODEL 9 1 1H MET 1 1H MET 1 -27.440 -1.227 -0.714 2 2H MET 1 2H MET 1 -26.364 -2.378 -1.350 3 3H MET 1 3H MET 1 -27.947 -2.831 -0.932 4 HA MET 1 HA MET 1 -27.517 -2.563 1.384 5 1HB MET 1 1HB MET 1 -26.728 -4.568 -0.044 6 2HB MET 1 2HB MET 1 -25.106 -3.904 0.154 7 1HG MET 1 1HG MET 1 -25.340 -5.444 1.942 8 2HG MET 1 2HG MET 1 -25.621 -3.866 2.677 9 1HE MET 1 1HE MET 1 -26.232 -7.061 2.589 10 2HE MET 1 2HE MET 1 -27.758 -7.337 3.427 11 3HE MET 1 3HE MET 1 -27.696 -7.375 1.660 12 HA PRO 2 HA PRO 2 -24.575 0.824 1.827 13 1HB PRO 2 1HB PRO 2 -25.483 1.603 4.287 14 2HB PRO 2 2HB PRO 2 -26.279 2.072 2.770 15 1HG PRO 2 1HG PRO 2 -27.030 -0.030 4.731 16 2HG PRO 2 2HG PRO 2 -28.061 1.046 3.776 17 1HD PRO 2 1HD PRO 2 -27.593 -1.588 3.164 18 2HD PRO 2 2HD PRO 2 -28.066 -0.353 1.975 19 H GLY 3 H GLY 3 -23.401 -1.570 2.127 20 1HA GLY 3 1HA GLY 3 -22.026 -1.329 4.748 21 2HA GLY 3 2HA GLY 3 -22.690 -2.901 4.302 22 H THR 4 H THR 4 -20.139 -3.160 4.629 23 HA THR 4 HA THR 4 -17.994 -3.371 3.660 24 HB THR 4 HB THR 4 -19.273 -5.313 2.877 25 HG1 THR 4 HG1 THR 4 -17.393 -5.567 1.965 26 1HG2 THR 4 1HG2 THR 4 -20.026 -3.424 0.643 27 2HG2 THR 4 2HG2 THR 4 -20.203 -5.174 0.515 28 3HG2 THR 4 3HG2 THR 4 -21.105 -4.284 1.742 29 H ILE 5 H ILE 5 -18.682 -0.726 3.389 30 HA ILE 5 HA ILE 5 -17.514 -0.090 0.747 31 HB ILE 5 HB ILE 5 -20.069 1.085 1.848 32 1HG1 ILE 5 1HG1 ILE 5 -19.728 0.249 -0.977 33 2HG1 ILE 5 2HG1 ILE 5 -19.687 -1.053 0.214 34 1HG2 ILE 5 1HG2 ILE 5 -18.023 2.149 -0.057 35 2HG2 ILE 5 2HG2 ILE 5 -19.725 2.419 -0.437 36 3HG2 ILE 5 3HG2 ILE 5 -19.055 3.018 1.081 37 1HD1 ILE 5 1HD1 ILE 5 -21.814 -0.184 1.178 38 2HD1 ILE 5 2HD1 ILE 5 -21.875 1.010 -0.120 39 3HD1 ILE 5 3HD1 ILE 5 -21.984 -0.710 -0.497 40 H LYS 6 H LYS 6 -15.671 0.255 2.143 41 HA LYS 6 HA LYS 6 -15.611 2.999 3.235 42 1HB LYS 6 1HB LYS 6 -16.174 1.648 5.197 43 2HB LYS 6 2HB LYS 6 -14.847 0.540 4.845 44 1HG LYS 6 1HG LYS 6 -13.981 1.994 6.507 45 2HG LYS 6 2HG LYS 6 -13.317 2.609 4.992 46 1HD LYS 6 1HD LYS 6 -15.332 4.175 4.901 47 2HD LYS 6 2HD LYS 6 -15.653 3.703 6.571 48 1HE LYS 6 1HE LYS 6 -14.162 5.278 7.227 49 2HE LYS 6 2HE LYS 6 -12.886 4.326 6.441 50 1HZ LYS 6 1HZ LYS 6 -13.978 5.382 4.307 51 2HZ LYS 6 2HZ LYS 6 -14.407 6.603 5.408 52 3HZ LYS 6 3HZ LYS 6 -12.774 6.200 5.176 53 H GLU 7 H GLU 7 -14.298 3.152 1.230 54 HA GLU 7 HA GLU 7 -12.224 3.358 0.204 55 1HB GLU 7 1HB GLU 7 -10.984 2.238 2.714 56 2HB GLU 7 2HB GLU 7 -10.310 3.383 1.559 57 1HG GLU 7 1HG GLU 7 -11.749 5.133 2.279 58 2HG GLU 7 2HG GLU 7 -12.762 4.016 3.191 59 H ASN 8 H ASN 8 -12.619 1.707 -1.288 60 HA ASN 8 HA ASN 8 -12.312 -1.089 -0.668 61 1HB ASN 8 1HB ASN 8 -12.884 -1.436 -2.908 62 2HB ASN 8 2HB ASN 8 -13.697 0.071 -2.537 63 1HD2 ASN 8 2HD2 ASN 8 -12.376 2.117 -3.128 64 2HD2 ASN 8 1HD2 ASN 8 -11.426 2.046 -4.532 65 H ILE 9 H ILE 9 -9.997 0.133 0.222 66 HA ILE 9 HA ILE 9 -7.793 0.416 -1.417 67 HB ILE 9 HB ILE 9 -8.075 -0.866 1.290 68 1HG1 ILE 9 1HG1 ILE 9 -6.527 1.264 1.670 69 2HG1 ILE 9 2HG1 ILE 9 -7.265 1.784 0.153 70 1HG2 ILE 9 1HG2 ILE 9 -5.771 -0.933 -0.558 71 2HG2 ILE 9 2HG2 ILE 9 -5.396 -0.326 1.056 72 3HG2 ILE 9 3HG2 ILE 9 -6.107 -1.929 0.858 73 1HD1 ILE 9 1HD1 ILE 9 -8.938 0.749 2.443 74 2HD1 ILE 9 2HD1 ILE 9 -8.472 2.447 2.337 75 3HD1 ILE 9 3HD1 ILE 9 -9.450 1.721 1.064 76 H ILE 10 H ILE 10 -7.753 -2.604 0.293 77 HA ILE 10 HA ILE 10 -7.266 -4.774 -0.417 78 HB ILE 10 HB ILE 10 -8.771 -3.674 -2.786 79 1HG1 ILE 10 1HG1 ILE 10 -10.407 -5.450 -1.871 80 2HG1 ILE 10 2HG1 ILE 10 -9.367 -5.474 -0.443 81 1HG2 ILE 10 1HG2 ILE 10 -7.211 -6.169 -2.522 82 2HG2 ILE 10 2HG2 ILE 10 -8.875 -6.402 -3.059 83 3HG2 ILE 10 3HG2 ILE 10 -7.792 -5.356 -3.976 84 1HD1 ILE 10 1HD1 ILE 10 -10.175 -2.799 -1.442 85 2HD1 ILE 10 2HD1 ILE 10 -11.439 -3.769 -0.688 86 3HD1 ILE 10 3HD1 ILE 10 -9.978 -3.367 0.215 87 H PHE 11 H PHE 11 -5.262 -5.470 -0.978 88 HA PHE 11 HA PHE 11 -3.176 -5.522 -2.000 89 1HB PHE 11 1HB PHE 11 -4.112 -6.004 -4.087 90 2HB PHE 11 2HB PHE 11 -4.987 -4.481 -4.155 91 HD1 PHE 11 HD1 PHE 11 -1.403 -5.527 -3.754 92 HD2 PHE 11 HD2 PHE 11 -4.236 -3.026 -5.789 93 HE1 PHE 11 HE1 PHE 11 0.437 -4.514 -5.067 94 HE2 PHE 11 HE2 PHE 11 -2.400 -2.009 -7.103 95 HZ PHE 11 HZ PHE 11 -0.059 -2.755 -6.746 96 H GLY 12 H GLY 12 -4.322 -3.140 -0.511 97 1HA GLY 12 1HA GLY 12 -2.910 -0.815 -1.536 98 2HA GLY 12 2HA GLY 12 -3.675 -0.931 0.040 99 H VAL 13 H VAL 13 -2.509 -2.457 1.551 100 HA VAL 13 HA VAL 13 -0.601 -2.514 2.936 101 HB VAL 13 HB VAL 13 -0.734 -4.563 1.423 102 1HG1 VAL 13 1HG1 VAL 13 -0.010 -3.325 -0.631 103 2HG1 VAL 13 2HG1 VAL 13 1.596 -3.164 0.079 104 3HG1 VAL 13 3HG1 VAL 13 0.960 -4.760 -0.307 105 1HG2 VAL 13 1HG2 VAL 13 0.834 -4.092 3.432 106 2HG2 VAL 13 2HG2 VAL 13 1.237 -5.427 2.352 107 3HG2 VAL 13 3HG2 VAL 13 2.089 -3.889 2.210 108 H SER 14 H SER 14 -0.695 -0.021 1.463 109 HA SER 14 HA SER 14 0.720 1.806 1.040 110 1HB SER 14 1HB SER 14 1.801 1.547 3.083 111 2HB SER 14 2HB SER 14 2.420 -0.047 2.670 112 HG SER 14 HG SER 14 4.165 1.092 2.262 113 H TYR 15 H TYR 15 3.126 -0.798 0.723 114 HA TYR 15 HA TYR 15 4.480 -1.358 -1.099 115 1HB TYR 15 1HB TYR 15 2.371 -2.199 -2.032 116 2HB TYR 15 2HB TYR 15 1.963 -0.582 -2.605 117 HD1 TYR 15 HD1 TYR 15 5.121 -2.611 -2.682 118 HD2 TYR 15 HD2 TYR 15 2.140 -0.487 -4.932 119 HE1 TYR 15 HE1 TYR 15 6.394 -3.032 -4.767 120 HE2 TYR 15 HE2 TYR 15 3.414 -0.909 -7.017 121 HH TYR 15 HH TYR 15 6.502 -1.719 -7.149 122 H ASP 16 H ASP 16 4.311 1.408 -0.076 123 HA ASP 16 HA ASP 16 6.045 2.640 -2.016 124 1HB ASP 16 1HB ASP 16 3.490 2.973 -2.757 125 2HB ASP 16 2HB ASP 16 3.602 4.298 -1.599 126 H GLU 17 H GLU 17 5.803 1.971 0.853 127 HA GLU 17 HA GLU 17 6.599 4.641 1.899 128 1HB GLU 17 1HB GLU 17 4.647 2.732 3.213 129 2HB GLU 17 2HB GLU 17 5.405 4.086 4.053 130 1HG GLU 17 1HG GLU 17 4.493 5.353 1.831 131 2HG GLU 17 2HG GLU 17 3.268 4.095 2.001 132 H TYR 18 H TYR 18 7.528 1.548 1.344 133 HA TYR 18 HA TYR 18 9.570 1.711 3.474 134 1HB TYR 18 1HB TYR 18 7.794 0.274 4.414 135 2HB TYR 18 2HB TYR 18 7.899 -0.767 2.994 136 HD1 TYR 18 HD1 TYR 18 9.864 0.566 5.870 137 HD2 TYR 18 HD2 TYR 18 9.557 -2.457 2.835 138 HE1 TYR 18 HE1 TYR 18 11.737 -0.677 6.919 139 HE2 TYR 18 HE2 TYR 18 11.429 -3.701 3.884 140 HH TYR 18 HH TYR 18 13.118 -3.551 5.391 141 H ARG 19 H ARG 19 8.413 0.145 0.564 142 HA ARG 19 HA ARG 19 11.225 -0.599 -0.093 143 1HB ARG 19 1HB ARG 19 9.289 -2.335 -0.124 144 2HB ARG 19 2HB ARG 19 8.802 -1.542 -1.623 145 1HG ARG 19 1HG ARG 19 10.686 -2.239 -2.768 146 2HG ARG 19 2HG ARG 19 11.677 -2.301 -1.309 147 1HD ARG 19 1HD ARG 19 9.387 -4.186 -1.399 148 2HD ARG 19 2HD ARG 19 10.702 -4.517 -2.526 149 HE ARG 19 HE ARG 19 11.894 -4.017 -0.018 150 1HH1 ARG 19 1HH1 ARG 19 10.810 -6.491 -2.002 151 2HH1 ARG 19 2HH1 ARG 19 10.760 -7.703 -0.764 152 1HH2 ARG 19 1HH2 ARG 19 11.370 -5.469 1.816 153 2HH2 ARG 19 2HH2 ARG 19 11.074 -7.123 1.397 154 H TYR 20 H TYR 20 10.269 2.086 -0.291 155 HA TYR 20 HA TYR 20 10.332 2.463 -3.257 156 1HB TYR 20 1HB TYR 20 8.993 4.427 -3.013 157 2HB TYR 20 2HB TYR 20 8.215 3.205 -2.009 158 HD1 TYR 20 HD1 TYR 20 8.623 3.193 0.481 159 HD2 TYR 20 HD2 TYR 20 9.933 6.408 -2.055 160 HE1 TYR 20 HE1 TYR 20 8.901 4.650 2.468 161 HE2 TYR 20 HE2 TYR 20 10.210 7.862 -0.065 162 HH TYR 20 HH TYR 20 10.663 7.313 2.565 163 H ARG 21 H ARG 21 12.088 2.740 -0.442 164 HA ARG 21 HA ARG 21 13.886 4.743 -1.713 165 1HB ARG 21 1HB ARG 21 12.293 5.412 0.417 166 2HB ARG 21 2HB ARG 21 13.762 4.875 1.232 167 1HG ARG 21 1HG ARG 21 15.104 6.409 -0.148 168 2HG ARG 21 2HG ARG 21 13.646 6.936 -0.989 169 1HD ARG 21 1HD ARG 21 13.661 8.579 0.605 170 2HD ARG 21 2HD ARG 21 12.868 7.338 1.574 171 HE ARG 21 HE ARG 21 15.169 6.791 2.475 172 1HH1 ARG 21 1HH2 ARG 21 14.361 9.374 3.645 173 2HH1 ARG 21 2HH2 ARG 21 15.700 10.406 3.271 174 1HH2 ARG 21 1HH1 ARG 21 16.973 8.312 0.819 175 2HH2 ARG 21 2HH1 ARG 21 17.177 9.808 1.670 176 H SER 22 H SER 22 14.547 2.229 -2.074 177 HA SER 22 HA SER 22 16.859 1.856 -0.317 178 1HB SER 22 1HB SER 22 16.141 -0.681 -0.186 179 2HB SER 22 2HB SER 22 15.499 0.471 0.982 180 HG SER 22 HG SER 22 14.279 -0.611 -1.328 181 H VAL 23 H VAL 23 16.345 2.532 -3.096 182 HA VAL 23 HA VAL 23 16.701 0.385 -4.893 183 HB VAL 23 HB VAL 23 16.238 2.534 -5.814 184 1HG1 VAL 23 1HG1 VAL 23 17.785 3.496 -3.721 185 2HG1 VAL 23 2HG1 VAL 23 18.756 3.873 -5.142 186 3HG1 VAL 23 3HG1 VAL 23 17.101 4.471 -5.021 187 1HG2 VAL 23 1HG2 VAL 23 18.090 1.007 -6.896 188 2HG2 VAL 23 2HG2 VAL 23 17.808 2.628 -7.531 189 3HG2 VAL 23 3HG2 VAL 23 19.164 2.330 -6.442 190 H ILE 24 H ILE 24 19.190 2.379 -3.259 191 HA ILE 24 HA ILE 24 21.155 0.249 -3.948 192 HB ILE 24 HB ILE 24 21.616 3.155 -3.203 193 1HG1 ILE 24 1HG1 ILE 24 20.734 2.926 -5.461 194 2HG1 ILE 24 2HG1 ILE 24 22.460 3.276 -5.565 195 1HG2 ILE 24 1HG2 ILE 24 23.357 0.826 -3.194 196 2HG2 ILE 24 2HG2 ILE 24 23.928 2.046 -4.333 197 3HG2 ILE 24 3HG2 ILE 24 23.688 2.466 -2.638 198 1HD1 ILE 24 1HD1 ILE 24 22.729 0.676 -5.577 199 2HD1 ILE 24 2HD1 ILE 24 21.029 0.674 -6.048 200 3HD1 ILE 24 3HD1 ILE 24 22.223 1.486 -7.059 201 H LYS 25 H LYS 25 19.223 0.238 -1.726 202 HA LYS 25 HA LYS 25 20.843 0.694 0.690 203 1HB LYS 25 1HB LYS 25 18.261 0.935 0.439 204 2HB LYS 25 2HB LYS 25 18.239 -0.818 0.623 205 1HG LYS 25 1HG LYS 25 19.484 -0.602 2.751 206 2HG LYS 25 2HG LYS 25 19.469 1.153 2.572 207 1HD LYS 25 1HD LYS 25 17.083 1.243 2.760 208 2HD LYS 25 2HD LYS 25 16.941 -0.508 2.604 209 1HE LYS 25 1HE LYS 25 16.962 -0.574 4.879 210 2HE LYS 25 2HE LYS 25 18.681 -0.142 4.777 211 1HZ LYS 25 1HZ LYS 25 17.733 2.226 4.395 212 2HZ LYS 25 2HZ LYS 25 16.349 1.613 5.160 213 3HZ LYS 25 3HZ LYS 25 17.839 1.616 5.977 214 H ALA 26 H ALA 26 22.256 -0.805 1.431 215 HA ALA 26 HA ALA 26 22.572 -3.383 0.233 216 1HB ALA 26 1HB ALA 26 23.676 -2.000 2.641 217 2HB ALA 26 2HB ALA 26 23.869 -3.749 2.535 218 3HB ALA 26 3HB ALA 26 24.525 -2.712 1.268 Start of MODEL 10 1 1H MET 1 1H MET 1 -6.340 10.633 -4.130 2 2H MET 1 2H MET 1 -6.729 11.962 -5.108 3 3H MET 1 3H MET 1 -6.831 12.096 -3.418 4 HA MET 1 HA MET 1 -8.855 11.138 -3.316 5 1HB MET 1 1HB MET 1 -8.487 12.818 -5.423 6 2HB MET 1 2HB MET 1 -9.099 11.393 -6.265 7 1HG MET 1 1HG MET 1 -10.884 11.414 -4.300 8 2HG MET 1 2HG MET 1 -10.457 13.122 -4.232 9 1HE MET 1 1HE MET 1 -10.660 10.349 -6.656 10 2HE MET 1 2HE MET 1 -12.418 10.346 -6.467 11 3HE MET 1 3HE MET 1 -11.693 10.860 -7.989 12 HA PRO 2 HA PRO 2 -7.843 6.919 -4.700 13 1HB PRO 2 1HB PRO 2 -9.000 5.697 -2.541 14 2HB PRO 2 2HB PRO 2 -7.346 6.339 -2.517 15 1HG PRO 2 1HG PRO 2 -9.846 7.507 -1.411 16 2HG PRO 2 2HG PRO 2 -8.200 7.543 -0.765 17 1HD PRO 2 1HD PRO 2 -9.378 9.645 -2.066 18 2HD PRO 2 2HD PRO 2 -7.623 9.383 -1.989 19 H GLY 3 H GLY 3 -9.216 5.829 -6.073 20 1HA GLY 3 1HA GLY 3 -11.883 6.616 -6.564 21 2HA GLY 3 2HA GLY 3 -11.204 5.063 -7.057 22 H THR 4 H THR 4 -13.530 4.408 -6.500 23 HA THR 4 HA THR 4 -14.039 4.172 -3.599 24 HB THR 4 HB THR 4 -15.901 4.760 -5.146 25 HG1 THR 4 HG1 THR 4 -17.162 3.688 -3.869 26 1HG2 THR 4 1HG2 THR 4 -14.769 2.928 -6.827 27 2HG2 THR 4 2HG2 THR 4 -16.118 2.002 -6.169 28 3HG2 THR 4 3HG2 THR 4 -16.418 3.535 -6.988 29 H ILE 5 H ILE 5 -11.772 2.767 -4.617 30 HA ILE 5 HA ILE 5 -12.584 0.011 -3.901 31 HB ILE 5 HB ILE 5 -10.965 0.758 -6.342 32 1HG1 ILE 5 1HG1 ILE 5 -13.145 -1.198 -6.527 33 2HG1 ILE 5 2HG1 ILE 5 -13.687 0.394 -5.995 34 1HG2 ILE 5 1HG2 ILE 5 -11.126 -1.711 -4.683 35 2HG2 ILE 5 2HG2 ILE 5 -11.144 -1.925 -6.434 36 3HG2 ILE 5 3HG2 ILE 5 -9.791 -1.100 -5.660 37 1HD1 ILE 5 1HD1 ILE 5 -11.985 1.094 -7.993 38 2HD1 ILE 5 2HD1 ILE 5 -12.588 -0.446 -8.606 39 3HD1 ILE 5 3HD1 ILE 5 -13.717 0.854 -8.222 40 H LYS 6 H LYS 6 -11.541 0.764 -1.905 41 HA LYS 6 HA LYS 6 -8.696 0.069 -1.875 42 1HB LYS 6 1HB LYS 6 -9.635 2.869 -1.670 43 2HB LYS 6 2HB LYS 6 -8.495 2.369 -0.420 44 1HG LYS 6 1HG LYS 6 -7.995 1.823 -3.350 45 2HG LYS 6 2HG LYS 6 -7.481 3.323 -2.578 46 1HD LYS 6 1HD LYS 6 -5.952 2.237 -1.180 47 2HD LYS 6 2HD LYS 6 -6.772 0.681 -1.331 48 1HE LYS 6 1HE LYS 6 -5.287 0.143 -2.958 49 2HE LYS 6 2HE LYS 6 -6.004 1.423 -3.960 50 1HZ LYS 6 1HZ LYS 6 -4.595 3.039 -2.842 51 2HZ LYS 6 2HZ LYS 6 -3.895 1.811 -1.900 52 3HZ LYS 6 3HZ LYS 6 -3.647 1.842 -3.580 53 H GLU 7 H GLU 7 -10.858 -1.242 -0.718 54 HA GLU 7 HA GLU 7 -10.879 -0.438 2.138 55 1HB GLU 7 1HB GLU 7 -12.368 -2.811 1.064 56 2HB GLU 7 2HB GLU 7 -12.816 -1.711 2.369 57 1HG GLU 7 1HG GLU 7 -13.191 0.091 0.732 58 2HG GLU 7 2HG GLU 7 -12.734 -0.998 -0.576 59 H ASN 8 H ASN 8 -8.394 -1.316 1.383 60 HA ASN 8 HA ASN 8 -8.231 -3.923 2.814 61 1HB ASN 8 1HB ASN 8 -8.094 -4.132 0.236 62 2HB ASN 8 2HB ASN 8 -6.511 -3.370 0.400 63 1HD2 ASN 8 2HD2 ASN 8 -6.619 -6.011 -0.548 64 2HD2 ASN 8 1HD2 ASN 8 -6.021 -7.068 0.639 65 H ILE 9 H ILE 9 -7.688 -1.789 4.278 66 HA ILE 9 HA ILE 9 -4.791 -1.198 4.014 67 HB ILE 9 HB ILE 9 -6.827 0.060 5.864 68 1HG1 ILE 9 1HG1 ILE 9 -6.507 1.993 4.182 69 2HG1 ILE 9 2HG1 ILE 9 -5.841 0.767 3.102 70 1HG2 ILE 9 1HG2 ILE 9 -4.134 0.060 6.142 71 2HG2 ILE 9 2HG2 ILE 9 -4.315 1.419 5.034 72 3HG2 ILE 9 3HG2 ILE 9 -5.140 1.436 6.592 73 1HD1 ILE 9 1HD1 ILE 9 -8.357 -0.046 4.369 74 2HD1 ILE 9 2HD1 ILE 9 -8.517 1.374 3.336 75 3HD1 ILE 9 3HD1 ILE 9 -7.870 -0.126 2.678 76 H ILE 10 H ILE 10 -5.760 -0.725 7.193 77 HA ILE 10 HA ILE 10 -5.129 -1.793 9.164 78 HB ILE 10 HB ILE 10 -6.040 -4.099 7.440 79 1HG1 ILE 10 1HG1 ILE 10 -7.956 -3.961 9.146 80 2HG1 ILE 10 2HG1 ILE 10 -7.260 -2.413 9.633 81 1HG2 ILE 10 1HG2 ILE 10 -5.243 -4.053 10.367 82 2HG2 ILE 10 2HG2 ILE 10 -6.161 -5.362 9.621 83 3HG2 ILE 10 3HG2 ILE 10 -4.514 -5.025 9.087 84 1HD1 ILE 10 1HD1 ILE 10 -7.668 -2.846 6.714 85 2HD1 ILE 10 2HD1 ILE 10 -9.113 -2.598 7.695 86 3HD1 ILE 10 3HD1 ILE 10 -7.843 -1.374 7.669 87 H PHE 11 H PHE 11 -3.489 -3.394 10.051 88 HA PHE 11 HA PHE 11 -1.012 -3.155 8.569 89 1HB PHE 11 1HB PHE 11 -1.367 -4.837 11.035 90 2HB PHE 11 2HB PHE 11 -0.002 -3.848 10.551 91 HD1 PHE 11 HD1 PHE 11 -0.553 -1.252 10.253 92 HD2 PHE 11 HD2 PHE 11 -2.783 -3.999 12.690 93 HE1 PHE 11 HE1 PHE 11 -1.443 0.645 11.580 94 HE2 PHE 11 HE2 PHE 11 -3.671 -2.102 14.015 95 HZ PHE 11 HZ PHE 11 -3.002 0.220 13.461 96 H GLY 12 H GLY 12 -2.736 -4.673 7.017 97 1HA GLY 12 1HA GLY 12 -1.422 -7.347 7.148 98 2HA GLY 12 2HA GLY 12 -3.170 -7.245 6.936 99 H VAL 13 H VAL 13 -1.783 -4.620 5.419 100 HA VAL 13 HA VAL 13 -2.222 -5.826 2.772 101 HB VAL 13 HB VAL 13 -3.124 -3.591 3.228 102 1HG1 VAL 13 1HG1 VAL 13 -0.423 -3.264 4.334 103 2HG1 VAL 13 2HG1 VAL 13 -0.936 -1.905 3.335 104 3HG1 VAL 13 3HG1 VAL 13 -1.907 -2.394 4.724 105 1HG2 VAL 13 1HG2 VAL 13 -1.390 -4.263 1.079 106 2HG2 VAL 13 2HG2 VAL 13 -2.689 -3.069 1.081 107 3HG2 VAL 13 3HG2 VAL 13 -1.047 -2.589 1.512 108 H SER 14 H SER 14 0.051 -6.776 4.268 109 HA SER 14 HA SER 14 2.351 -7.170 3.990 110 1HB SER 14 1HB SER 14 1.909 -7.963 1.817 111 2HB SER 14 2HB SER 14 1.405 -6.376 1.245 112 HG SER 14 HG SER 14 3.637 -7.274 0.729 113 H TYR 15 H TYR 15 1.548 -4.645 5.071 114 HA TYR 15 HA TYR 15 2.323 -2.464 5.434 115 1HB TYR 15 1HB TYR 15 4.367 -4.302 5.754 116 2HB TYR 15 2HB TYR 15 5.078 -3.095 4.686 117 HD1 TYR 15 HD1 TYR 15 5.006 -0.655 5.353 118 HD2 TYR 15 HD2 TYR 15 3.965 -3.829 8.053 119 HE1 TYR 15 HE1 TYR 15 5.281 0.890 7.276 120 HE2 TYR 15 HE2 TYR 15 4.240 -2.284 9.975 121 HH TYR 15 HH TYR 15 4.080 0.343 10.257 122 H ASP 16 H ASP 16 1.163 -1.960 3.312 123 HA ASP 16 HA ASP 16 1.148 -1.064 1.131 124 1HB ASP 16 1HB ASP 16 1.694 0.891 2.422 125 2HB ASP 16 2HB ASP 16 3.384 0.402 2.543 126 H GLU 17 H GLU 17 2.160 -3.411 0.648 127 HA GLU 17 HA GLU 17 3.555 -4.598 -0.813 128 1HB GLU 17 1HB GLU 17 3.552 -1.839 -1.772 129 2HB GLU 17 2HB GLU 17 5.041 -2.694 -2.175 130 1HG GLU 17 1HG GLU 17 3.800 -4.486 -3.230 131 2HG GLU 17 2HG GLU 17 2.268 -3.798 -2.692 132 H TYR 18 H TYR 18 4.572 -4.759 1.557 133 HA TYR 18 HA TYR 18 6.536 -4.876 2.842 134 1HB TYR 18 1HB TYR 18 7.161 -6.324 0.921 135 2HB TYR 18 2HB TYR 18 7.813 -4.906 0.100 136 HD1 TYR 18 HD1 TYR 18 8.091 -6.858 3.272 137 HD2 TYR 18 HD2 TYR 18 10.028 -4.208 0.501 138 HE1 TYR 18 HE1 TYR 18 10.225 -7.133 4.504 139 HE2 TYR 18 HE2 TYR 18 12.164 -4.484 1.734 140 HH TYR 18 HH TYR 18 12.834 -6.875 3.741 141 H ARG 19 H ARG 19 5.675 -2.351 2.865 142 HA ARG 19 HA ARG 19 6.297 -0.077 2.836 143 1HB ARG 19 1HB ARG 19 7.437 -0.849 4.830 144 2HB ARG 19 2HB ARG 19 8.771 -1.485 3.868 145 1HG ARG 19 1HG ARG 19 8.661 1.132 3.023 146 2HG ARG 19 2HG ARG 19 8.222 1.277 4.719 147 1HD ARG 19 1HD ARG 19 10.390 -0.578 4.517 148 2HD ARG 19 2HD ARG 19 10.817 0.869 3.606 149 HE ARG 19 HE ARG 19 11.175 1.856 5.706 150 1HH1 ARG 19 1HH2 ARG 19 10.313 -0.964 6.855 151 2HH1 ARG 19 2HH2 ARG 19 9.188 -0.434 8.063 152 1HH2 ARG 19 1HH1 ARG 19 8.978 2.800 6.825 153 2HH2 ARG 19 2HH1 ARG 19 8.432 1.697 8.044 154 H TYR 20 H TYR 20 6.272 -0.519 0.354 155 HA TYR 20 HA TYR 20 7.182 0.167 -1.682 156 1HB TYR 20 1HB TYR 20 9.737 0.983 -0.371 157 2HB TYR 20 2HB TYR 20 8.818 1.778 -1.645 158 HD1 TYR 20 HD1 TYR 20 6.100 1.769 -0.426 159 HD2 TYR 20 HD2 TYR 20 9.933 2.697 1.272 160 HE1 TYR 20 HE1 TYR 20 5.000 3.222 1.256 161 HE2 TYR 20 HE2 TYR 20 8.836 4.154 2.954 162 HH TYR 20 HH TYR 20 6.578 5.481 3.047 163 H ARG 21 H ARG 21 7.263 -2.349 -1.588 164 HA ARG 21 HA ARG 21 9.735 -3.744 -1.287 165 1HB ARG 21 1HB ARG 21 7.216 -4.573 -1.609 166 2HB ARG 21 2HB ARG 21 7.718 -4.664 -3.295 167 1HG ARG 21 1HG ARG 21 9.852 -5.843 -2.128 168 2HG ARG 21 2HG ARG 21 8.595 -6.292 -0.974 169 1HD ARG 21 1HD ARG 21 8.732 -6.909 -3.926 170 2HD ARG 21 2HD ARG 21 8.555 -8.034 -2.578 171 HE ARG 21 HE ARG 21 6.385 -6.111 -3.319 172 1HH1 ARG 21 1HH2 ARG 21 7.130 -9.219 -4.022 173 2HH1 ARG 21 2HH2 ARG 21 5.773 -9.952 -3.232 174 1HH2 ARG 21 1HH1 ARG 21 4.811 -7.045 -1.607 175 2HH2 ARG 21 2HH1 ARG 21 4.462 -8.721 -1.865 176 H SER 22 H SER 22 10.590 -1.589 -2.611 177 HA SER 22 HA SER 22 12.067 -1.120 -4.385 178 1HB SER 22 1HB SER 22 11.116 -3.428 -6.011 179 2HB SER 22 2HB SER 22 12.750 -2.809 -5.786 180 HG SER 22 HG SER 22 12.804 -3.763 -3.773 181 H VAL 23 H VAL 23 9.562 0.041 -4.163 182 HA VAL 23 HA VAL 23 8.748 0.274 -7.031 183 HB VAL 23 HB VAL 23 6.913 0.790 -4.681 184 1HG1 VAL 23 1HG1 VAL 23 6.728 1.262 -7.441 185 2HG1 VAL 23 2HG1 VAL 23 5.756 -0.183 -7.162 186 3HG1 VAL 23 3HG1 VAL 23 5.405 1.301 -6.276 187 1HG2 VAL 23 1HG2 VAL 23 7.960 -1.730 -5.528 188 2HG2 VAL 23 2HG2 VAL 23 6.691 -1.425 -4.341 189 3HG2 VAL 23 3HG2 VAL 23 6.274 -1.649 -6.040 190 H ILE 24 H ILE 24 10.817 1.787 -5.859 191 HA ILE 24 HA ILE 24 11.442 3.970 -5.203 192 HB ILE 24 HB ILE 24 10.940 3.867 -7.757 193 1HG1 ILE 24 1HG1 ILE 24 11.402 6.304 -7.939 194 2HG1 ILE 24 2HG1 ILE 24 11.012 6.485 -6.229 195 1HG2 ILE 24 1HG2 ILE 24 8.380 4.625 -6.800 196 2HG2 ILE 24 2HG2 ILE 24 9.057 6.040 -7.599 197 3HG2 ILE 24 3HG2 ILE 24 8.913 4.518 -8.476 198 1HD1 ILE 24 1HD1 ILE 24 13.107 4.524 -7.160 199 2HD1 ILE 24 2HD1 ILE 24 13.505 6.213 -6.850 200 3HD1 ILE 24 3HD1 ILE 24 12.880 5.200 -5.548 201 H LYS 25 H LYS 25 9.389 3.063 -3.516 202 HA LYS 25 HA LYS 25 7.588 3.793 -2.188 203 1HB LYS 25 1HB LYS 25 8.151 5.731 -0.978 204 2HB LYS 25 2HB LYS 25 9.706 5.115 -1.525 205 1HG LYS 25 1HG LYS 25 9.786 6.715 -3.332 206 2HG LYS 25 2HG LYS 25 8.131 7.235 -3.013 207 1HD LYS 25 1HD LYS 25 9.082 7.740 -0.602 208 2HD LYS 25 2HD LYS 25 10.626 7.800 -1.452 209 1HE LYS 25 1HE LYS 25 8.631 9.258 -2.959 210 2HE LYS 25 2HE LYS 25 8.714 9.872 -1.296 211 1HZ LYS 25 1HZ LYS 25 11.119 9.951 -1.474 212 2HZ LYS 25 2HZ LYS 25 11.047 9.375 -3.071 213 3HZ LYS 25 3HZ LYS 25 10.413 10.901 -2.693 214 H ALA 26 H ALA 26 6.362 6.313 -1.977 215 HA ALA 26 HA ALA 26 4.632 7.554 -2.961 216 1HB ALA 26 1HB ALA 26 6.719 8.135 -4.442 217 2HB ALA 26 2HB ALA 26 5.913 7.129 -5.646 218 3HB ALA 26 3HB ALA 26 5.107 8.565 -5.014
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