NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11135 | 1qzp | 5968 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA PRO 9 HA PRO 9 1.436 15.769 4.411 2 1HB PRO 9 2HB PRO 9 0.937 14.456 6.960 3 2HB PRO 9 1HB PRO 9 1.983 15.834 6.596 4 1HG PRO 9 2HG PRO 9 -0.332 16.078 7.989 5 2HG PRO 9 1HG PRO 9 0.318 17.367 6.960 6 1HD PRO 9 2HD PRO 9 -1.861 15.386 6.370 7 2HD PRO 9 1HD PRO 9 -1.804 17.125 6.025 8 H GLY 10 H GLY 10 1.151 14.239 2.723 9 1HA GLY 10 2HA GLY 10 0.740 11.482 3.703 10 2HA GLY 10 1HA GLY 10 0.119 12.022 2.150 11 H LEU 11 H LEU 11 1.941 9.831 2.685 12 HA LEU 11 HA LEU 11 4.573 10.565 2.014 13 1HB LEU 11 2HB LEU 11 3.377 7.863 1.498 14 2HB LEU 11 1HB LEU 11 5.043 8.258 1.876 15 HG LEU 11 HG LEU 11 3.741 9.152 4.112 16 1HD1 LEU 11 1HD1 LEU 11 1.958 7.358 2.777 17 2HD1 LEU 11 2HD1 LEU 11 1.740 8.219 4.300 18 3HD1 LEU 11 3HD1 LEU 11 2.509 6.632 4.287 19 1HD2 LEU 11 1HD2 LEU 11 5.437 6.927 3.338 20 2HD2 LEU 11 2HD2 LEU 11 4.409 6.542 4.718 21 3HD2 LEU 11 3HD2 LEU 11 5.486 7.937 4.782 22 H GLN 12 H GLN 12 5.675 10.426 0.057 23 HA GLN 12 HA GLN 12 4.314 11.216 -2.227 24 1HB GLN 12 2HB GLN 12 6.978 10.938 -1.458 25 2HB GLN 12 1HB GLN 12 6.810 9.883 -2.854 26 1HG GLN 12 2HG GLN 12 5.862 12.727 -2.881 27 2HG GLN 12 1HG GLN 12 7.520 12.280 -3.280 28 1HE2 GLN 12 1HE2 GLN 12 4.153 11.798 -4.173 29 2HE2 GLN 12 2HE2 GLN 12 4.454 11.402 -5.827 30 H ILE 13 H ILE 13 3.628 10.178 -4.062 31 HA ILE 13 HA ILE 13 2.767 7.492 -3.799 32 HB ILE 13 HB ILE 13 2.886 9.212 -6.277 33 1HG1 ILE 13 2HG1 ILE 13 1.543 9.909 -4.104 34 2HG1 ILE 13 1HG1 ILE 13 0.854 10.121 -5.709 35 1HG2 ILE 13 1HG2 ILE 13 1.849 6.508 -5.736 36 2HG2 ILE 13 2HG2 ILE 13 2.408 7.235 -7.243 37 3HG2 ILE 13 3HG2 ILE 13 0.785 7.578 -6.647 38 1HD1 ILE 13 1HD1 ILE 13 0.352 7.600 -4.204 39 2HD1 ILE 13 2HD1 ILE 13 -0.627 8.381 -5.447 40 3HD1 ILE 13 3HD1 ILE 13 -0.561 9.059 -3.819 41 H TYR 14 H TYR 14 3.873 5.691 -4.140 42 HA TYR 14 HA TYR 14 6.308 5.810 -5.782 43 1HB TYR 14 2HB TYR 14 5.484 3.770 -3.704 44 2HB TYR 14 1HB TYR 14 6.998 3.761 -4.602 45 HD1 TYR 14 1HD TYR 14 6.842 7.032 -4.298 46 HD2 TYR 14 2HD TYR 14 7.030 3.675 -1.691 47 HE1 TYR 14 1HE TYR 14 7.876 8.440 -2.568 48 HE2 TYR 14 2HE TYR 14 8.062 5.074 0.046 49 HH TYR 14 HH TYR 14 9.518 7.823 -0.430 50 HA PRO 15 HA PRO 15 4.343 3.413 -8.921 51 1HB PRO 15 2HB PRO 15 6.562 2.219 -9.990 52 2HB PRO 15 1HB PRO 15 6.097 3.893 -10.312 53 1HG PRO 15 2HG PRO 15 8.119 2.826 -8.383 54 2HG PRO 15 1HG PRO 15 8.226 4.236 -9.453 55 1HD PRO 15 2HD PRO 15 7.690 4.474 -6.822 56 2HD PRO 15 1HD PRO 15 6.983 5.568 -8.030 57 H TYR 16 H TYR 16 3.985 2.251 -6.495 58 HA TYR 16 HA TYR 16 3.806 0.268 -5.365 59 1HB TYR 16 2HB TYR 16 2.234 0.002 -7.272 60 2HB TYR 16 1HB TYR 16 3.516 -0.815 -8.159 61 HD1 TYR 16 1HD TYR 16 2.105 -1.083 -4.698 62 HD2 TYR 16 2HD TYR 16 3.189 -3.090 -8.289 63 HE1 TYR 16 1HE TYR 16 1.407 -3.222 -3.707 64 HE2 TYR 16 2HE TYR 16 2.493 -5.234 -7.309 65 HH TYR 16 HH TYR 16 2.025 -5.721 -4.098 66 H GLU 17 H GLU 17 5.317 -0.931 -8.236 67 HA GLU 17 HA GLU 17 6.858 -2.917 -7.237 68 1HB GLU 17 2HB GLU 17 8.159 -1.159 -9.266 69 2HB GLU 17 1HB GLU 17 8.034 -2.912 -9.221 70 1HG GLU 17 2HG GLU 17 5.551 -2.579 -9.682 71 2HG GLU 17 1HG GLU 17 5.972 -0.914 -10.082 72 H MET 18 H MET 18 7.283 0.460 -6.834 73 HA MET 18 HA MET 18 10.000 0.502 -6.109 74 1HB MET 18 2HB MET 18 7.844 2.368 -6.262 75 2HB MET 18 1HB MET 18 8.614 2.535 -4.690 76 1HG MET 18 2HG MET 18 10.305 2.434 -7.139 77 2HG MET 18 1HG MET 18 9.443 3.919 -6.739 78 1HE MET 18 1HE MET 18 11.657 4.747 -7.091 79 2HE MET 18 2HE MET 18 13.121 4.138 -6.320 80 3HE MET 18 3HE MET 18 12.258 5.506 -5.617 81 H LEU 19 H LEU 19 7.146 -0.483 -4.525 82 HA LEU 19 HA LEU 19 8.598 -0.819 -1.986 83 1HB LEU 19 2HB LEU 19 5.630 -0.445 -2.389 84 2HB LEU 19 1HB LEU 19 6.447 -0.627 -0.846 85 HG LEU 19 HG LEU 19 7.335 1.619 -2.568 86 1HD1 LEU 19 1HD1 LEU 19 5.051 1.978 -2.924 87 2HD1 LEU 19 2HD1 LEU 19 5.445 2.991 -1.535 88 3HD1 LEU 19 3HD1 LEU 19 4.624 1.449 -1.295 89 1HD2 LEU 19 1HD2 LEU 19 7.639 0.766 0.094 90 2HD2 LEU 19 2HD2 LEU 19 6.702 2.259 0.145 91 3HD2 LEU 19 3HD2 LEU 19 8.274 2.231 -0.655 92 H VAL 20 H VAL 20 6.867 -2.262 -4.546 93 HA VAL 20 HA VAL 20 5.893 -4.591 -3.290 94 HB VAL 20 HB VAL 20 6.780 -4.386 -6.164 95 1HG1 VAL 20 1HG1 VAL 20 6.219 -6.596 -5.773 96 2HG1 VAL 20 2HG1 VAL 20 4.699 -5.918 -6.356 97 3HG1 VAL 20 3HG1 VAL 20 4.944 -6.180 -4.629 98 1HG2 VAL 20 1HG2 VAL 20 5.182 -2.546 -5.150 99 2HG2 VAL 20 2HG2 VAL 20 3.978 -3.815 -5.354 100 3HG2 VAL 20 3HG2 VAL 20 4.893 -3.237 -6.746 101 H VAL 21 H VAL 21 7.995 -4.771 -1.956 102 HA VAL 21 HA VAL 21 10.381 -5.681 -3.002 103 HB VAL 21 HB VAL 21 9.107 -6.472 -0.382 104 1HG1 VAL 21 1HG1 VAL 21 11.713 -7.091 -1.609 105 2HG1 VAL 21 2HG1 VAL 21 10.798 -7.965 -0.380 106 3HG1 VAL 21 3HG1 VAL 21 11.763 -6.560 0.072 107 1HG2 VAL 21 1HG2 VAL 21 9.698 -3.969 -1.105 108 2HG2 VAL 21 2HG2 VAL 21 11.289 -4.477 -0.537 109 3HG2 VAL 21 3HG2 VAL 21 9.898 -4.558 0.545 110 H THR 22 H THR 22 10.726 -7.372 -4.291 111 HA THR 22 HA THR 22 9.242 -9.815 -3.820 112 HB THR 22 HB THR 22 10.250 -9.713 -6.469 113 HG1 THR 22 1HG THR 22 9.807 -7.361 -5.823 114 1HG2 THR 22 1HG2 THR 22 7.412 -9.430 -6.354 115 2HG2 THR 22 2HG2 THR 22 7.957 -10.615 -5.167 116 3HG2 THR 22 3HG2 THR 22 8.381 -10.811 -6.867 117 H ASN 23 H ASN 23 11.198 -10.004 -2.316 118 HA ASN 23 HA ASN 23 12.817 -12.053 -3.045 119 1HB ASN 23 2HB ASN 23 13.617 -9.874 -4.550 120 2HB ASN 23 1HB ASN 23 14.771 -9.886 -3.220 121 1HD2 ASN 23 1HD2 ASN 23 13.153 -12.629 -4.727 122 2HD2 ASN 23 2HD2 ASN 23 14.590 -13.384 -5.317 123 H LYS 24 H LYS 24 11.742 -11.708 -0.754 124 HA LYS 24 HA LYS 24 11.991 -10.906 1.463 125 1HB LYS 24 2HB LYS 24 13.557 -12.482 2.537 126 2HB LYS 24 1HB LYS 24 12.511 -13.273 1.367 127 1HG LYS 24 2HG LYS 24 15.151 -12.327 0.415 128 2HG LYS 24 1HG LYS 24 15.116 -13.733 1.481 129 1HD LYS 24 2HD LYS 24 13.965 -13.396 -1.257 130 2HD LYS 24 1HD LYS 24 14.959 -14.704 -0.613 131 1HE LYS 24 2HE LYS 24 13.010 -15.303 0.866 132 2HE LYS 24 1HE LYS 24 12.051 -14.152 -0.064 133 1HZ LYS 24 1HZ LYS 24 13.369 -15.822 -1.870 134 2HZ LYS 24 2HZ LYS 24 11.709 -15.724 -1.562 135 3HZ LYS 24 3HZ LYS 24 12.666 -16.814 -0.693 136 H GLY 25 H GLY 25 15.038 -11.490 2.277 137 1HA GLY 25 2HA GLY 25 16.829 -10.177 2.852 138 2HA GLY 25 1HA GLY 25 16.565 -9.350 1.324 139 H ARG 26 H ARG 26 16.767 -8.898 4.566 140 HA ARG 26 HA ARG 26 14.706 -7.188 5.245 141 1HB ARG 26 2HB ARG 26 17.586 -7.172 6.146 142 2HB ARG 26 1HB ARG 26 16.310 -6.233 6.909 143 1HG ARG 26 2HG ARG 26 16.487 -8.113 8.253 144 2HG ARG 26 1HG ARG 26 15.111 -8.481 7.212 145 1HD ARG 26 2HD ARG 26 16.244 -10.087 6.047 146 2HD ARG 26 1HD ARG 26 17.811 -9.320 6.301 147 HE ARG 26 HE ARG 26 16.397 -11.041 8.213 148 1HH1 ARG 26 1HH1 ARG 26 19.257 -9.309 7.236 149 2HH1 ARG 26 2HH1 ARG 26 20.278 -10.075 8.406 150 1HH2 ARG 26 1HH2 ARG 26 17.733 -12.055 9.758 151 2HH2 ARG 26 2HH2 ARG 26 19.412 -11.637 9.840 152 H THR 27 H THR 27 14.748 -6.292 2.860 153 HA THR 27 HA THR 27 16.567 -4.247 2.231 154 HB THR 27 HB THR 27 15.598 -4.744 0.287 155 HG1 THR 27 1HG THR 27 14.751 -2.608 0.888 156 1HG2 THR 27 1HG2 THR 27 13.177 -5.529 0.130 157 2HG2 THR 27 2HG2 THR 27 13.243 -5.667 1.887 158 3HG2 THR 27 3HG2 THR 27 14.344 -6.614 0.886 159 H LYS 28 H LYS 28 16.043 -1.974 1.950 160 HA LYS 28 HA LYS 28 14.486 -0.988 4.238 161 1HB LYS 28 2HB LYS 28 16.487 0.548 2.578 162 2HB LYS 28 1HB LYS 28 15.804 1.017 4.129 163 1HG LYS 28 2HG LYS 28 16.907 -1.160 4.994 164 2HG LYS 28 1HG LYS 28 17.876 -1.045 3.524 165 1HD LYS 28 2HD LYS 28 17.656 1.463 5.025 166 2HD LYS 28 1HD LYS 28 18.476 0.165 5.895 167 1HE LYS 28 2HE LYS 28 20.020 -0.131 4.045 168 2HE LYS 28 1HE LYS 28 19.173 1.104 3.115 169 1HZ LYS 28 1HZ LYS 28 20.442 1.645 5.738 170 2HZ LYS 28 2HZ LYS 28 19.868 2.772 4.616 171 3HZ LYS 28 3HZ LYS 28 21.245 1.856 4.264 172 H LEU 29 H LEU 29 12.770 0.345 3.981 173 HA LEU 29 HA LEU 29 11.633 0.565 1.383 174 1HB LEU 29 2HB LEU 29 10.720 1.479 4.098 175 2HB LEU 29 1HB LEU 29 9.793 1.775 2.632 176 HG LEU 29 HG LEU 29 10.521 -0.948 3.722 177 1HD1 LEU 29 1HD1 LEU 29 8.374 0.873 4.326 178 2HD1 LEU 29 2HD1 LEU 29 8.773 -0.679 5.063 179 3HD1 LEU 29 3HD1 LEU 29 7.754 -0.621 3.624 180 1HD2 LEU 29 1HD2 LEU 29 8.699 -1.575 1.992 181 2HD2 LEU 29 2HD2 LEU 29 10.346 -1.274 1.436 182 3HD2 LEU 29 3HD2 LEU 29 9.111 -0.029 1.249 183 HA PRO 30 HA PRO 30 12.782 4.557 -0.036 184 1HB PRO 30 2HB PRO 30 9.877 5.250 0.025 185 2HB PRO 30 1HB PRO 30 11.051 5.438 -1.284 186 1HG PRO 30 2HG PRO 30 9.276 3.460 -1.341 187 2HG PRO 30 1HG PRO 30 10.945 3.195 -1.877 188 1HD PRO 30 2HD PRO 30 9.606 2.342 0.646 189 2HD PRO 30 1HD PRO 30 10.870 1.525 -0.296 190 HA PRO 31 HA PRO 31 13.181 7.228 3.452 191 1HB PRO 31 2HB PRO 31 12.877 9.427 1.464 192 2HB PRO 31 1HB PRO 31 14.149 9.160 2.661 193 1HG PRO 31 2HG PRO 31 14.584 8.659 0.082 194 2HG PRO 31 1HG PRO 31 15.247 7.600 1.342 195 1HD PRO 31 2HD PRO 31 12.919 7.163 -0.473 196 2HD PRO 31 1HD PRO 31 14.103 5.995 0.147 197 H GLY 32 H GLY 32 11.024 6.610 4.213 198 1HA GLY 32 2HA GLY 32 9.303 7.929 5.350 199 2HA GLY 32 1HA GLY 32 9.095 8.817 3.848 200 H VAL 33 H VAL 33 8.997 5.440 4.984 201 HA VAL 33 HA VAL 33 6.619 5.062 3.393 202 HB VAL 33 HB VAL 33 8.785 3.132 3.961 203 1HG1 VAL 33 1HG1 VAL 33 6.155 2.584 2.624 204 2HG1 VAL 33 2HG1 VAL 33 6.607 2.039 4.238 205 3HG1 VAL 33 3HG1 VAL 33 7.474 1.432 2.826 206 1HG2 VAL 33 1HG2 VAL 33 8.270 4.893 1.842 207 2HG2 VAL 33 2HG2 VAL 33 7.993 3.259 1.238 208 3HG2 VAL 33 3HG2 VAL 33 9.548 3.684 1.956 209 H ASP 34 H ASP 34 5.015 3.716 4.157 210 HA ASP 34 HA ASP 34 5.091 3.382 7.070 211 1HB ASP 34 2HB ASP 34 3.523 5.077 5.586 212 2HB ASP 34 1HB ASP 34 2.451 3.698 5.849 213 H ARG 35 H ARG 35 5.530 1.206 7.185 214 HA ARG 35 HA ARG 35 4.838 -0.863 5.601 215 1HB ARG 35 2HB ARG 35 5.459 -0.555 8.413 216 2HB ARG 35 1HB ARG 35 4.318 -1.869 8.161 217 1HG ARG 35 2HG ARG 35 5.926 -2.702 6.370 218 2HG ARG 35 1HG ARG 35 7.088 -1.565 7.057 219 1HD ARG 35 2HD ARG 35 5.716 -3.278 9.011 220 2HD ARG 35 1HD ARG 35 6.766 -4.132 7.881 221 HE ARG 35 HE ARG 35 7.916 -1.811 9.190 222 1HH1 ARG 35 1HH1 ARG 35 7.524 -5.270 9.150 223 2HH1 ARG 35 2HH1 ARG 35 8.919 -5.571 10.132 224 1HH2 ARG 35 1HH2 ARG 35 9.756 -2.194 10.484 225 2HH2 ARG 35 2HH2 ARG 35 10.188 -3.821 10.891 226 H MET 36 H MET 36 2.863 -0.319 8.503 227 HA MET 36 HA MET 36 0.644 -1.703 7.590 228 1HB MET 36 2HB MET 36 0.895 0.485 9.649 229 2HB MET 36 1HB MET 36 -0.602 -0.392 9.365 230 1HG MET 36 2HG MET 36 0.198 -2.334 10.271 231 2HG MET 36 1HG MET 36 1.878 -1.937 9.916 232 1HE MET 36 1HE MET 36 3.059 0.129 11.030 233 2HE MET 36 2HE MET 36 3.499 -1.326 11.924 234 3HE MET 36 3HE MET 36 3.086 0.151 12.794 235 H ARG 37 H ARG 37 1.837 1.271 6.574 236 HA ARG 37 HA ARG 37 -0.695 1.857 5.201 237 1HB ARG 37 2HB ARG 37 0.394 3.429 7.236 238 2HB ARG 37 1HB ARG 37 0.826 4.263 5.749 239 1HG ARG 37 2HG ARG 37 -1.199 5.215 6.209 240 2HG ARG 37 1HG ARG 37 -1.691 3.887 5.156 241 1HD ARG 37 2HD ARG 37 -2.829 2.871 6.792 242 2HD ARG 37 1HD ARG 37 -1.535 3.123 7.963 243 HE ARG 37 HE ARG 37 -3.167 5.438 7.314 244 1HH1 ARG 37 1HH1 ARG 37 -2.520 2.800 9.493 245 2HH1 ARG 37 2HH1 ARG 37 -3.365 3.520 10.822 246 1HH2 ARG 37 1HH2 ARG 37 -4.283 6.396 9.058 247 2HH2 ARG 37 2HH2 ARG 37 -4.368 5.564 10.575 248 H LEU 38 H LEU 38 0.953 0.432 3.802 249 HA LEU 38 HA LEU 38 2.945 1.969 2.417 250 1HB LEU 38 2HB LEU 38 2.133 -0.791 2.629 251 2HB LEU 38 1HB LEU 38 2.337 -0.340 0.952 252 HG LEU 38 HG LEU 38 4.470 -0.995 1.345 253 1HD1 LEU 38 1HD1 LEU 38 4.574 1.712 2.656 254 2HD1 LEU 38 2HD1 LEU 38 4.591 1.427 0.916 255 3HD1 LEU 38 3HD1 LEU 38 5.925 0.853 1.917 256 1HD2 LEU 38 1HD2 LEU 38 3.648 -0.645 4.142 257 2HD2 LEU 38 2HD2 LEU 38 5.372 -0.424 3.830 258 3HD2 LEU 38 3HD2 LEU 38 4.581 -1.937 3.385 259 H GLU 39 H GLU 39 -0.318 1.124 2.054 260 HA GLU 39 HA GLU 39 -0.787 1.441 -0.661 261 1HB GLU 39 2HB GLU 39 -2.993 2.622 0.614 262 2HB GLU 39 1HB GLU 39 -2.837 0.956 0.077 263 1HG GLU 39 2HG GLU 39 -3.537 1.044 2.385 264 2HG GLU 39 1HG GLU 39 -1.928 0.338 2.260 265 H ARG 40 H ARG 40 -0.218 3.831 1.809 266 HA ARG 40 HA ARG 40 -1.137 6.091 0.464 267 1HB ARG 40 2HB ARG 40 1.056 5.822 2.515 268 2HB ARG 40 1HB ARG 40 0.384 7.356 1.982 269 1HG ARG 40 2HG ARG 40 -1.697 5.542 2.822 270 2HG ARG 40 1HG ARG 40 -0.495 5.783 4.092 271 1HD ARG 40 2HD ARG 40 -1.163 7.882 4.468 272 2HD ARG 40 1HD ARG 40 -1.227 8.256 2.746 273 HE ARG 40 HE ARG 40 -3.408 6.628 3.703 274 1HH1 ARG 40 1HH1 ARG 40 -2.235 9.859 3.148 275 2HH1 ARG 40 2HH1 ARG 40 -3.818 10.560 3.071 276 1HH2 ARG 40 1HH2 ARG 40 -5.496 7.539 3.604 277 2HH2 ARG 40 2HH2 ARG 40 -5.672 9.240 3.331 278 H HIS 41 H HIS 41 1.237 4.036 -0.447 279 HA HIS 41 HA HIS 41 2.843 6.105 -1.776 280 1HB HIS 41 2HB HIS 41 3.400 3.174 -1.298 281 2HB HIS 41 1HB HIS 41 4.450 4.245 -2.221 282 HD1 HIS 41 1HD HIS 41 5.568 6.234 -0.835 283 HD2 HIS 41 2HD HIS 41 3.746 3.258 1.412 284 HE1 HIS 41 1HE HIS 41 6.437 6.531 1.505 285 HE2 HIS 41 2HE HIS 41 5.161 4.846 2.874 286 H LEU 42 H LEU 42 0.727 3.385 -2.342 287 HA LEU 42 HA LEU 42 1.215 2.951 -5.052 288 1HB LEU 42 2HB LEU 42 -0.827 2.326 -3.055 289 2HB LEU 42 1HB LEU 42 -1.430 2.417 -4.689 290 HG LEU 42 HG LEU 42 0.275 0.393 -3.424 291 1HD1 LEU 42 1HD1 LEU 42 -1.989 0.640 -5.252 292 2HD1 LEU 42 2HD1 LEU 42 -1.618 -0.617 -4.068 293 3HD1 LEU 42 3HD1 LEU 42 -0.865 -0.657 -5.663 294 1HD2 LEU 42 1HD2 LEU 42 0.900 1.550 -6.116 295 2HD2 LEU 42 2HD2 LEU 42 1.172 -0.160 -5.789 296 3HD2 LEU 42 3HD2 LEU 42 2.002 1.064 -4.829 297 H SER 43 H SER 43 0.791 4.168 -6.779 298 HA SER 43 HA SER 43 -0.495 6.675 -6.559 299 1HB SER 43 2HB SER 43 1.041 5.313 -8.494 300 2HB SER 43 1HB SER 43 -0.457 5.855 -9.248 301 HG SER 43 HG SER 43 0.458 7.734 -9.327 302 H ALA 44 H ALA 44 -2.373 7.302 -7.906 303 HA ALA 44 HA ALA 44 -4.630 5.850 -7.222 304 1HB ALA 44 1HB ALA 44 -4.406 7.738 -9.557 305 2HB ALA 44 2HB ALA 44 -4.581 8.257 -7.879 306 3HB ALA 44 3HB ALA 44 -5.867 7.331 -8.655 307 H GLU 45 H GLU 45 -2.627 5.704 -10.070 308 HA GLU 45 HA GLU 45 -4.354 4.041 -11.536 309 1HB GLU 45 2HB GLU 45 -1.412 4.576 -11.926 310 2HB GLU 45 1HB GLU 45 -2.478 3.811 -13.097 311 1HG GLU 45 2HG GLU 45 -3.757 5.857 -13.311 312 2HG GLU 45 1HG GLU 45 -2.757 6.631 -12.082 313 H ASP 46 H ASP 46 -2.066 3.634 -9.051 314 HA ASP 46 HA ASP 46 -1.716 0.860 -9.645 315 1HB ASP 46 2HB ASP 46 -0.420 2.648 -7.611 316 2HB ASP 46 1HB ASP 46 -0.196 0.899 -7.599 317 H PHE 47 H PHE 47 -3.143 2.916 -7.145 318 HA PHE 47 HA PHE 47 -3.851 0.765 -5.465 319 1HB PHE 47 2HB PHE 47 -3.850 3.058 -4.620 320 2HB PHE 47 1HB PHE 47 -5.161 3.466 -5.727 321 HD1 PHE 47 1HD PHE 47 -7.374 2.293 -5.458 322 HD2 PHE 47 2HD PHE 47 -4.292 2.120 -2.530 323 HE1 PHE 47 1HE PHE 47 -9.018 1.576 -3.777 324 HE2 PHE 47 2HE PHE 47 -5.926 1.398 -0.845 325 HZ PHE 47 HZ PHE 47 -8.297 1.128 -1.470 326 H SER 48 H SER 48 -5.577 2.538 -7.859 327 HA SER 48 HA SER 48 -7.953 1.085 -7.756 328 1HB SER 48 2HB SER 48 -6.770 2.963 -9.750 329 2HB SER 48 1HB SER 48 -8.233 2.067 -10.159 330 HG SER 48 HG SER 48 -8.596 4.160 -9.180 331 H ARG 49 H ARG 49 -4.995 0.528 -9.371 332 HA ARG 49 HA ARG 49 -6.101 -1.571 -10.956 333 1HB ARG 49 2HB ARG 49 -3.435 -0.228 -10.922 334 2HB ARG 49 1HB ARG 49 -3.662 -1.746 -11.778 335 1HG ARG 49 2HG ARG 49 -5.749 -0.232 -12.700 336 2HG ARG 49 1HG ARG 49 -4.459 0.958 -12.512 337 1HD ARG 49 2HD ARG 49 -3.888 -1.651 -13.850 338 2HD ARG 49 1HD ARG 49 -4.710 -0.375 -14.745 339 HE ARG 49 HE ARG 49 -2.243 0.373 -13.405 340 1HH1 ARG 49 1HH1 ARG 49 -3.815 -0.614 -16.352 341 2HH1 ARG 49 2HH1 ARG 49 -2.550 -0.025 -17.377 342 1HH2 ARG 49 1HH2 ARG 49 -0.571 1.153 -14.747 343 2HH2 ARG 49 2HH2 ARG 49 -0.705 0.980 -16.465 344 H VAL 50 H VAL 50 -4.508 -1.070 -8.085 345 HA VAL 50 HA VAL 50 -3.363 -3.680 -7.832 346 HB VAL 50 HB VAL 50 -3.346 -1.198 -6.218 347 1HG1 VAL 50 1HG1 VAL 50 -2.017 -3.383 -4.905 348 2HG1 VAL 50 2HG1 VAL 50 -3.756 -3.623 -4.962 349 3HG1 VAL 50 3HG1 VAL 50 -3.085 -2.163 -4.232 350 1HG2 VAL 50 1HG2 VAL 50 -1.400 -1.124 -7.227 351 2HG2 VAL 50 2HG2 VAL 50 -1.533 -2.775 -7.809 352 3HG2 VAL 50 3HG2 VAL 50 -0.876 -2.448 -6.202 353 H PHE 51 H PHE 51 -5.871 -1.764 -6.246 354 HA PHE 51 HA PHE 51 -6.859 -4.210 -4.977 355 1HB PHE 51 2HB PHE 51 -7.410 -1.337 -4.208 356 2HB PHE 51 1HB PHE 51 -7.910 -2.771 -3.317 357 HD1 PHE 51 1HD PHE 51 -6.115 -4.263 -2.353 358 HD2 PHE 51 2HD PHE 51 -5.322 -0.348 -3.826 359 HE1 PHE 51 1HE PHE 51 -4.026 -4.204 -1.061 360 HE2 PHE 51 2HE PHE 51 -3.237 -0.277 -2.525 361 HZ PHE 51 HZ PHE 51 -2.581 -2.209 -1.143 362 H ALA 52 H ALA 52 -7.375 -2.591 -7.670 363 HA ALA 52 HA ALA 52 -9.114 -2.170 -9.066 364 1HB ALA 52 1HB ALA 52 -9.170 -4.711 -8.244 365 2HB ALA 52 2HB ALA 52 -10.281 -4.055 -9.452 366 3HB ALA 52 3HB ALA 52 -10.794 -4.208 -7.768 367 H MET 53 H MET 53 -9.008 -0.562 -6.775 368 HA MET 53 HA MET 53 -11.772 0.234 -6.588 369 1HB MET 53 2HB MET 53 -10.152 -0.783 -4.361 370 2HB MET 53 1HB MET 53 -10.950 0.748 -4.034 371 1HG MET 53 2HG MET 53 -12.727 -0.440 -3.467 372 2HG MET 53 1HG MET 53 -12.934 -0.780 -5.185 373 1HE MET 53 1HE MET 53 -9.750 -2.169 -3.416 374 2HE MET 53 2HE MET 53 -10.380 -3.574 -2.555 375 3HE MET 53 3HE MET 53 -10.853 -1.950 -2.057 376 H SER 54 H SER 54 -12.050 2.474 -6.068 377 HA SER 54 HA SER 54 -10.007 4.131 -7.080 378 1HB SER 54 2HB SER 54 -11.504 5.999 -6.344 379 2HB SER 54 1HB SER 54 -12.315 4.798 -7.348 380 HG SER 54 HG SER 54 -13.624 5.207 -5.603 381 HA PRO 55 HA PRO 55 -7.187 4.446 -3.687 382 1HB PRO 55 2HB PRO 55 -7.248 7.328 -4.156 383 2HB PRO 55 1HB PRO 55 -5.905 6.202 -4.363 384 1HG PRO 55 2HG PRO 55 -7.784 7.220 -6.364 385 2HG PRO 55 1HG PRO 55 -6.247 6.376 -6.606 386 1HD PRO 55 2HD PRO 55 -8.635 5.271 -7.197 387 2HD PRO 55 1HD PRO 55 -7.262 4.300 -6.617 388 H GLU 56 H GLU 56 -9.936 6.439 -4.160 389 HA GLU 56 HA GLU 56 -10.221 7.471 -1.596 390 1HB GLU 56 2HB GLU 56 -12.586 7.821 -2.444 391 2HB GLU 56 1HB GLU 56 -11.309 8.632 -3.318 392 1HG GLU 56 2HG GLU 56 -11.665 6.122 -4.529 393 2HG GLU 56 1HG GLU 56 -13.275 6.769 -4.238 394 H GLU 57 H GLU 57 -11.724 4.785 -3.330 395 HA GLU 57 HA GLU 57 -13.564 3.865 -1.670 396 1HB GLU 57 2HB GLU 57 -11.713 2.679 -3.579 397 2HB GLU 57 1HB GLU 57 -12.307 1.554 -2.385 398 1HG GLU 57 2HG GLU 57 -14.135 3.293 -3.995 399 2HG GLU 57 1HG GLU 57 -13.597 1.709 -4.552 400 H PHE 58 H PHE 58 -10.224 3.743 -1.315 401 HA PHE 58 HA PHE 58 -10.180 2.128 1.030 402 1HB PHE 58 2HB PHE 58 -8.276 2.933 -0.872 403 2HB PHE 58 1HB PHE 58 -7.751 3.624 0.660 404 HD1 PHE 58 1HD PHE 58 -9.462 0.422 -0.109 405 HD2 PHE 58 2HD PHE 58 -5.995 2.323 1.421 406 HE1 PHE 58 1HE PHE 58 -8.573 -1.758 0.569 407 HE2 PHE 58 2HE PHE 58 -5.095 0.152 2.101 408 HZ PHE 58 HZ PHE 58 -6.391 -1.877 1.668 409 H GLY 59 H GLY 59 -9.724 5.539 0.240 410 1HA GLY 59 2HA GLY 59 -9.113 6.458 2.818 411 2HA GLY 59 1HA GLY 59 -9.837 7.427 1.542 412 H LYS 60 H LYS 60 -11.922 4.997 1.801 413 HA LYS 60 HA LYS 60 -13.421 6.259 3.894 414 1HB LYS 60 2HB LYS 60 -14.102 6.023 1.177 415 2HB LYS 60 1HB LYS 60 -15.187 4.968 2.072 416 1HG LYS 60 2HG LYS 60 -16.291 6.683 3.012 417 2HG LYS 60 1HG LYS 60 -14.829 7.651 3.214 418 1HD LYS 60 2HD LYS 60 -16.350 7.243 0.638 419 2HD LYS 60 1HD LYS 60 -16.366 8.701 1.633 420 1HE LYS 60 2HE LYS 60 -14.359 9.391 0.879 421 2HE LYS 60 1HE LYS 60 -13.695 7.758 0.852 422 1HZ LYS 60 1HZ LYS 60 -13.893 8.747 -1.370 423 2HZ LYS 60 2HZ LYS 60 -15.569 8.853 -1.175 424 3HZ LYS 60 3HZ LYS 60 -14.818 7.338 -1.217 425 H LEU 61 H LEU 61 -12.189 3.385 2.707 426 HA LEU 61 HA LEU 61 -13.973 1.520 3.779 427 1HB LEU 61 2HB LEU 61 -11.091 1.420 2.995 428 2HB LEU 61 1HB LEU 61 -11.838 0.044 3.771 429 HG LEU 61 HG LEU 61 -13.081 1.236 1.325 430 1HD1 LEU 61 1HD1 LEU 61 -11.230 -1.050 1.026 431 2HD1 LEU 61 2HD1 LEU 61 -10.515 0.550 1.191 432 3HD1 LEU 61 3HD1 LEU 61 -11.651 0.224 -0.118 433 1HD2 LEU 61 1HD2 LEU 61 -13.218 -1.313 2.848 434 2HD2 LEU 61 2HD2 LEU 61 -13.536 -1.340 1.114 435 3HD2 LEU 61 3HD2 LEU 61 -14.519 -0.331 2.176 436 H ALA 62 H ALA 62 -12.605 -0.184 5.366 437 HA ALA 62 HA ALA 62 -12.265 1.364 7.846 438 1HB ALA 62 1HB ALA 62 -12.922 -1.568 7.604 439 2HB ALA 62 2HB ALA 62 -14.135 -0.296 7.750 440 3HB ALA 62 3HB ALA 62 -12.982 -0.570 9.056 441 H LEU 63 H LEU 63 -10.990 -0.410 9.447 442 HA LEU 63 HA LEU 63 -8.332 -0.374 8.340 443 1HB LEU 63 2HB LEU 63 -9.483 -0.357 10.959 444 2HB LEU 63 1HB LEU 63 -8.318 -1.663 10.849 445 HG LEU 63 HG LEU 63 -7.251 0.331 11.716 446 1HD1 LEU 63 1HD1 LEU 63 -6.272 -1.240 9.750 447 2HD1 LEU 63 2HD1 LEU 63 -5.349 0.027 10.557 448 3HD1 LEU 63 3HD1 LEU 63 -6.117 0.350 9.003 449 1HD2 LEU 63 1HD2 LEU 63 -7.637 1.784 9.146 450 2HD2 LEU 63 2HD2 LEU 63 -7.337 2.413 10.766 451 3HD2 LEU 63 3HD2 LEU 63 -8.936 1.805 10.338 452 H TRP 64 H TRP 64 -10.791 -2.629 8.930 453 HA TRP 64 HA TRP 64 -9.174 -4.935 8.759 454 1HB TRP 64 2HB TRP 64 -11.435 -6.104 8.594 455 2HB TRP 64 1HB TRP 64 -11.125 -5.192 10.069 456 HD1 TRP 64 HD TRP 64 -12.426 -2.801 10.314 457 HE1 TRP 64 1HE TRP 64 -14.664 -2.019 9.296 458 HE3 TRP 64 3HE TRP 64 -12.923 -6.268 6.598 459 HZ2 TRP 64 2HZ TRP 64 -16.392 -2.750 7.235 460 HZ3 TRP 64 3HZ TRP 64 -14.910 -6.154 5.142 461 HH2 TRP 64 HH TRP 64 -16.602 -4.419 5.469 462 H LYS 65 H LYS 65 -11.842 -3.774 6.714 463 HA LYS 65 HA LYS 65 -11.382 -5.404 4.544 464 1HB LYS 65 2HB LYS 65 -12.453 -3.532 3.196 465 2HB LYS 65 1HB LYS 65 -13.382 -4.109 4.571 466 1HG LYS 65 2HG LYS 65 -12.171 -2.151 5.809 467 2HG LYS 65 1HG LYS 65 -11.994 -1.522 4.168 468 1HD LYS 65 2HD LYS 65 -14.389 -1.768 5.849 469 2HD LYS 65 1HD LYS 65 -14.035 -0.643 4.536 470 1HE LYS 65 2HE LYS 65 -14.421 -2.556 2.944 471 2HE LYS 65 1HE LYS 65 -15.021 -3.480 4.320 472 1HZ LYS 65 1HZ LYS 65 -16.143 -0.845 3.569 473 2HZ LYS 65 2HZ LYS 65 -16.812 -2.008 4.599 474 3HZ LYS 65 3HZ LYS 65 -16.737 -2.297 2.934 475 H ARG 66 H ARG 66 -9.907 -2.364 5.457 476 HA ARG 66 HA ARG 66 -8.380 -1.908 3.148 477 1HB ARG 66 2HB ARG 66 -8.343 -1.004 5.970 478 2HB ARG 66 1HB ARG 66 -6.829 -0.849 5.094 479 1HG ARG 66 2HG ARG 66 -8.868 0.133 3.409 480 2HG ARG 66 1HG ARG 66 -9.128 0.824 5.012 481 1HD ARG 66 2HD ARG 66 -7.442 1.862 3.180 482 2HD ARG 66 1HD ARG 66 -7.250 2.066 4.921 483 HE ARG 66 HE ARG 66 -5.952 -0.234 3.688 484 1HH1 ARG 66 1HH1 ARG 66 -5.688 2.977 5.009 485 2HH1 ARG 66 2HH1 ARG 66 -3.975 2.879 5.247 486 1HH2 ARG 66 1HH2 ARG 66 -3.697 -0.376 3.999 487 2HH2 ARG 66 2HH2 ARG 66 -2.842 0.972 4.672 488 H ASN 67 H ASN 67 -7.760 -3.747 6.110 489 HA ASN 67 HA ASN 67 -5.119 -4.452 5.502 490 1HB ASN 67 2HB ASN 67 -7.163 -5.110 7.497 491 2HB ASN 67 1HB ASN 67 -6.038 -6.418 7.160 492 1HD2 ASN 67 1HD2 ASN 67 -6.423 -4.706 9.537 493 2HD2 ASN 67 2HD2 ASN 67 -4.872 -4.015 9.860 494 H GLU 68 H GLU 68 -8.244 -6.061 5.006 495 HA GLU 68 HA GLU 68 -7.216 -8.439 4.001 496 1HB GLU 68 2HB GLU 68 -9.900 -7.171 3.509 497 2HB GLU 68 1HB GLU 68 -9.493 -8.838 3.126 498 1HG GLU 68 2HG GLU 68 -8.864 -8.270 5.867 499 2HG GLU 68 1HG GLU 68 -10.536 -7.834 5.516 500 H LEU 69 H LEU 69 -7.501 -5.382 2.657 501 HA LEU 69 HA LEU 69 -7.338 -6.330 -0.099 502 1HB LEU 69 2HB LEU 69 -7.553 -3.545 1.050 503 2HB LEU 69 1HB LEU 69 -7.472 -3.908 -0.670 504 HG LEU 69 HG LEU 69 -9.683 -4.612 1.252 505 1HD1 LEU 69 1HD1 LEU 69 -9.262 -2.608 -0.860 506 2HD1 LEU 69 2HD1 LEU 69 -10.303 -2.560 0.562 507 3HD1 LEU 69 3HD1 LEU 69 -10.825 -3.425 -0.884 508 1HD2 LEU 69 1HD2 LEU 69 -8.798 -6.151 -0.899 509 2HD2 LEU 69 2HD2 LEU 69 -10.217 -5.285 -1.491 510 3HD2 LEU 69 3HD2 LEU 69 -10.336 -6.290 -0.045 511 H LYS 70 H LYS 70 -5.527 -4.182 2.081 512 HA LYS 70 HA LYS 70 -3.365 -3.638 0.492 513 1HB LYS 70 2HB LYS 70 -2.550 -2.688 2.356 514 2HB LYS 70 1HB LYS 70 -4.091 -3.112 3.067 515 1HG LYS 70 2HG LYS 70 -2.977 -5.323 3.711 516 2HG LYS 70 1HG LYS 70 -1.457 -4.501 3.355 517 1HD LYS 70 2HD LYS 70 -3.522 -3.768 5.420 518 2HD LYS 70 1HD LYS 70 -1.844 -4.245 5.685 519 1HE LYS 70 2HE LYS 70 -1.018 -2.209 4.878 520 2HE LYS 70 1HE LYS 70 -2.543 -1.801 4.094 521 1HZ LYS 70 1HZ LYS 70 -1.678 -1.198 6.718 522 2HZ LYS 70 2HZ LYS 70 -3.107 -2.100 6.784 523 3HZ LYS 70 3HZ LYS 70 -3.059 -0.657 5.903 524 H LYS 71 H LYS 71 -4.048 -6.490 2.414 525 HA LYS 71 HA LYS 71 -1.539 -7.696 2.048 526 1HB LYS 71 2HB LYS 71 -4.008 -8.372 3.327 527 2HB LYS 71 1HB LYS 71 -3.482 -9.730 2.342 528 1HG LYS 71 2HG LYS 71 -1.469 -9.952 3.530 529 2HG LYS 71 1HG LYS 71 -1.648 -8.368 4.286 530 1HD LYS 71 2HD LYS 71 -2.779 -10.963 5.050 531 2HD LYS 71 1HD LYS 71 -2.430 -9.543 6.037 532 1HE LYS 71 2HE LYS 71 -4.471 -8.500 5.402 533 2HE LYS 71 1HE LYS 71 -4.771 -9.707 4.153 534 1HZ LYS 71 1HZ LYS 71 -4.751 -11.342 6.125 535 2HZ LYS 71 2HZ LYS 71 -6.126 -10.392 5.869 536 3HZ LYS 71 3HZ LYS 71 -5.020 -9.968 7.076 537 H LYS 72 H LYS 72 -4.304 -7.363 0.146 538 HA LYS 72 HA LYS 72 -3.813 -9.463 -1.647 539 1HB LYS 72 2HB LYS 72 -5.777 -7.353 -1.358 540 2HB LYS 72 1HB LYS 72 -5.308 -7.581 -3.037 541 1HG LYS 72 2HG LYS 72 -6.510 -9.436 -3.203 542 2HG LYS 72 1HG LYS 72 -5.793 -10.111 -1.738 543 1HD LYS 72 2HD LYS 72 -7.606 -7.983 -1.069 544 2HD LYS 72 1HD LYS 72 -8.415 -9.174 -2.089 545 1HE LYS 72 2HE LYS 72 -6.772 -9.998 0.282 546 2HE LYS 72 1HE LYS 72 -8.461 -9.523 0.456 547 1HZ LYS 72 1HZ LYS 72 -9.074 -11.262 -1.104 548 2HZ LYS 72 2HZ LYS 72 -8.234 -11.913 0.211 549 3HZ LYS 72 3HZ LYS 72 -7.453 -11.716 -1.276 550 H ALA 73 H ALA 73 -2.652 -6.353 -1.175 551 HA ALA 73 HA ALA 73 -1.376 -6.261 -3.773 552 1HB ALA 73 1HB ALA 73 -2.763 -4.310 -2.954 553 2HB ALA 73 2HB ALA 73 -1.135 -3.930 -3.518 554 3HB ALA 73 3HB ALA 73 -1.473 -4.016 -1.789 555 H SER 74 H SER 74 -0.797 -6.878 -0.477 556 HA SER 74 HA SER 74 1.124 -7.691 0.499 557 1HB SER 74 2HB SER 74 1.903 -7.531 -2.229 558 2HB SER 74 1HB SER 74 3.193 -6.804 -1.271 559 HG SER 74 HG SER 74 2.659 -8.888 0.072 560 H LEU 75 H LEU 75 0.119 -4.729 0.045 561 HA LEU 75 HA LEU 75 2.421 -3.189 0.832 562 1HB LEU 75 2HB LEU 75 -0.475 -2.350 0.885 563 2HB LEU 75 1HB LEU 75 0.932 -1.303 0.862 564 HG LEU 75 HG LEU 75 -0.197 -2.956 -1.377 565 1HD1 LEU 75 1HD1 LEU 75 -0.406 -0.921 -2.517 566 2HD1 LEU 75 2HD1 LEU 75 0.674 -0.085 -1.400 567 3HD1 LEU 75 3HD1 LEU 75 -0.937 -0.571 -0.871 568 1HD2 LEU 75 1HD2 LEU 75 2.014 -3.487 -1.701 569 2HD2 LEU 75 2HD2 LEU 75 2.594 -1.983 -0.985 570 3HD2 LEU 75 3HD2 LEU 75 1.891 -1.977 -2.603 571 H PHE 76 H PHE 76 0.230 -5.169 2.428 572 HA PHE 76 HA PHE 76 -0.370 -3.969 4.805 573 1HB PHE 76 2HB PHE 76 -0.836 -6.388 3.938 574 2HB PHE 76 1HB PHE 76 0.638 -6.794 4.811 575 HD1 PHE 76 1HD PHE 76 -2.840 -6.541 5.046 576 HD2 PHE 76 2HD PHE 76 0.717 -5.893 7.292 577 HE1 PHE 76 1HE PHE 76 -4.131 -6.714 7.132 578 HE2 PHE 76 2HE PHE 76 -0.568 -6.066 9.383 579 HZ PHE 76 HZ PHE 76 -2.995 -6.477 9.304 Start of MODEL 2 1 HA PRO 9 HA PRO 9 1.434 11.115 7.311 2 1HB PRO 9 2HB PRO 9 -0.599 10.051 5.655 3 2HB PRO 9 1HB PRO 9 0.221 9.248 7.000 4 1HG PRO 9 2HG PRO 9 -2.379 10.686 6.956 5 2HG PRO 9 1HG PRO 9 -1.878 9.294 7.931 6 1HD PRO 9 2HD PRO 9 -2.087 11.713 9.031 7 2HD PRO 9 1HD PRO 9 -0.758 10.627 9.485 8 H GLY 10 H GLY 10 2.220 11.269 5.176 9 1HA GLY 10 2HA GLY 10 0.871 12.688 3.116 10 2HA GLY 10 1HA GLY 10 2.013 13.742 3.939 11 H LEU 11 H LEU 11 2.286 10.287 3.196 12 HA LEU 11 HA LEU 11 4.938 10.570 2.268 13 1HB LEU 11 2HB LEU 11 3.284 8.184 1.580 14 2HB LEU 11 1HB LEU 11 4.974 8.269 2.037 15 HG LEU 11 HG LEU 11 3.786 9.109 4.335 16 1HD1 LEU 11 1HD1 LEU 11 1.779 7.653 2.788 17 2HD1 LEU 11 2HD1 LEU 11 1.590 8.707 4.189 18 3HD1 LEU 11 3HD1 LEU 11 2.040 7.016 4.412 19 1HD2 LEU 11 1HD2 LEU 11 5.363 7.027 3.530 20 2HD2 LEU 11 2HD2 LEU 11 3.937 6.196 4.149 21 3HD2 LEU 11 3HD2 LEU 11 4.824 7.317 5.183 22 H GLN 12 H GLN 12 5.769 10.374 0.165 23 HA GLN 12 HA GLN 12 4.114 11.474 -1.863 24 1HB GLN 12 2HB GLN 12 6.177 12.316 -2.219 25 2HB GLN 12 1HB GLN 12 6.964 10.970 -1.414 26 1HG GLN 12 2HG GLN 12 7.772 10.700 -3.505 27 2HG GLN 12 1HG GLN 12 6.326 9.708 -3.630 28 1HE2 GLN 12 1HE2 GLN 12 5.071 10.081 -5.321 29 2HE2 GLN 12 2HE2 GLN 12 5.025 11.534 -6.252 30 H ILE 13 H ILE 13 3.447 10.514 -3.789 31 HA ILE 13 HA ILE 13 2.750 7.780 -3.633 32 HB ILE 13 HB ILE 13 2.674 9.677 -5.971 33 1HG1 ILE 13 2HG1 ILE 13 1.384 10.204 -3.811 34 2HG1 ILE 13 1HG1 ILE 13 0.500 10.239 -5.328 35 1HG2 ILE 13 1HG2 ILE 13 1.858 6.849 -5.709 36 2HG2 ILE 13 2HG2 ILE 13 2.324 7.781 -7.132 37 3HG2 ILE 13 3HG2 ILE 13 0.699 7.935 -6.474 38 1HD1 ILE 13 1HD1 ILE 13 0.435 7.625 -4.087 39 2HD1 ILE 13 2HD1 ILE 13 -0.889 8.642 -4.657 40 3HD1 ILE 13 3HD1 ILE 13 -0.220 8.888 -3.044 41 H TYR 14 H TYR 14 3.631 6.002 -4.465 42 HA TYR 14 HA TYR 14 6.016 6.275 -6.167 43 1HB TYR 14 2HB TYR 14 5.499 4.116 -4.108 44 2HB TYR 14 1HB TYR 14 6.932 4.273 -5.116 45 HD1 TYR 14 1HD TYR 14 7.052 7.380 -4.774 46 HD2 TYR 14 2HD TYR 14 6.731 4.135 -2.042 47 HE1 TYR 14 1HE TYR 14 8.132 8.743 -3.036 48 HE2 TYR 14 2HE TYR 14 7.806 5.490 -0.297 49 HH TYR 14 HH TYR 14 7.976 8.498 -0.145 50 HA PRO 15 HA PRO 15 3.798 3.653 -8.935 51 1HB PRO 15 2HB PRO 15 6.199 2.562 -10.102 52 2HB PRO 15 1HB PRO 15 5.154 3.834 -10.735 53 1HG PRO 15 2HG PRO 15 7.723 4.242 -9.850 54 2HG PRO 15 1HG PRO 15 6.474 5.498 -9.903 55 1HD PRO 15 2HD PRO 15 7.440 3.878 -7.580 56 2HD PRO 15 1HD PRO 15 6.985 5.594 -7.650 57 H TYR 16 H TYR 16 3.964 2.442 -6.462 58 HA TYR 16 HA TYR 16 3.781 0.417 -5.430 59 1HB TYR 16 2HB TYR 16 2.243 0.030 -7.338 60 2HB TYR 16 1HB TYR 16 3.584 -0.665 -8.235 61 HD1 TYR 16 1HD TYR 16 1.679 -1.119 -5.050 62 HD2 TYR 16 2HD TYR 16 3.983 -2.951 -8.120 63 HE1 TYR 16 1HE TYR 16 1.145 -3.325 -4.118 64 HE2 TYR 16 2HE TYR 16 3.452 -5.157 -7.202 65 HH TYR 16 HH TYR 16 2.464 -5.750 -4.277 66 H GLU 17 H GLU 17 5.605 -0.350 -8.315 67 HA GLU 17 HA GLU 17 7.177 -2.386 -7.533 68 1HB GLU 17 2HB GLU 17 8.099 -0.041 -9.195 69 2HB GLU 17 1HB GLU 17 8.862 -1.625 -9.149 70 1HG GLU 17 2HG GLU 17 6.035 -1.789 -9.762 71 2HG GLU 17 1HG GLU 17 6.915 -0.783 -10.911 72 H MET 18 H MET 18 7.493 0.914 -6.529 73 HA MET 18 HA MET 18 10.122 0.764 -5.512 74 1HB MET 18 2HB MET 18 7.836 2.624 -5.262 75 2HB MET 18 1HB MET 18 9.020 2.679 -3.964 76 1HG MET 18 2HG MET 18 10.643 2.719 -6.123 77 2HG MET 18 1HG MET 18 9.226 3.556 -6.757 78 1HE MET 18 1HE MET 18 12.220 4.074 -6.191 79 2HE MET 18 2HE MET 18 12.631 4.843 -4.658 80 3HE MET 18 3HE MET 18 12.160 5.830 -6.041 81 H LEU 19 H LEU 19 7.080 -0.311 -4.391 82 HA LEU 19 HA LEU 19 8.199 -1.029 -1.766 83 1HB LEU 19 2HB LEU 19 5.292 -0.746 -2.470 84 2HB LEU 19 1HB LEU 19 5.994 -0.877 -0.867 85 HG LEU 19 HG LEU 19 6.754 1.449 -2.571 86 1HD1 LEU 19 1HD1 LEU 19 4.665 2.172 -2.792 87 2HD1 LEU 19 2HD1 LEU 19 4.572 2.271 -1.032 88 3HD1 LEU 19 3HD1 LEU 19 4.045 0.808 -1.857 89 1HD2 LEU 19 1HD2 LEU 19 7.761 1.972 -0.661 90 2HD2 LEU 19 2HD2 LEU 19 6.999 0.620 0.174 91 3HD2 LEU 19 3HD2 LEU 19 6.171 2.174 0.071 92 H VAL 20 H VAL 20 7.098 -2.219 -4.735 93 HA VAL 20 HA VAL 20 5.632 -4.414 -4.474 94 HB VAL 20 HB VAL 20 7.994 -3.830 -6.152 95 1HG1 VAL 20 1HG1 VAL 20 7.015 -6.626 -5.678 96 2HG1 VAL 20 2HG1 VAL 20 8.675 -6.030 -5.667 97 3HG1 VAL 20 3HG1 VAL 20 7.790 -6.150 -7.189 98 1HG2 VAL 20 1HG2 VAL 20 5.598 -3.301 -6.674 99 2HG2 VAL 20 2HG2 VAL 20 5.338 -5.035 -6.870 100 3HG2 VAL 20 3HG2 VAL 20 6.465 -4.187 -7.926 101 H VAL 21 H VAL 21 5.889 -6.629 -4.040 102 HA VAL 21 HA VAL 21 7.269 -7.248 -1.694 103 HB VAL 21 HB VAL 21 6.290 -9.214 -3.768 104 1HG1 VAL 21 1HG1 VAL 21 7.820 -10.007 -1.899 105 2HG1 VAL 21 2HG1 VAL 21 6.269 -10.831 -2.058 106 3HG1 VAL 21 3HG1 VAL 21 6.498 -9.621 -0.797 107 1HG2 VAL 21 1HG2 VAL 21 4.725 -7.343 -2.605 108 2HG2 VAL 21 2HG2 VAL 21 4.624 -8.639 -1.412 109 3HG2 VAL 21 3HG2 VAL 21 4.161 -8.943 -3.087 110 H THR 22 H THR 22 9.373 -7.389 -1.473 111 HA THR 22 HA THR 22 11.316 -7.425 -3.380 112 HB THR 22 HB THR 22 12.231 -8.939 -1.145 113 HG1 THR 22 1HG THR 22 10.843 -6.596 -0.409 114 1HG2 THR 22 1HG2 THR 22 13.914 -7.559 -1.486 115 2HG2 THR 22 2HG2 THR 22 12.941 -6.258 -0.802 116 3HG2 THR 22 3HG2 THR 22 12.921 -6.553 -2.540 117 H ASN 23 H ASN 23 13.050 -9.262 -3.497 118 HA ASN 23 HA ASN 23 12.280 -11.943 -3.415 119 1HB ASN 23 2HB ASN 23 11.275 -10.510 -5.687 120 2HB ASN 23 1HB ASN 23 12.465 -11.688 -6.233 121 1HD2 ASN 23 1HD2 ASN 23 11.656 -13.580 -6.726 122 2HD2 ASN 23 2HD2 ASN 23 10.247 -14.303 -6.035 123 H LYS 24 H LYS 24 14.282 -12.483 -2.757 124 HA LYS 24 HA LYS 24 16.483 -13.043 -2.900 125 1HB LYS 24 2HB LYS 24 16.522 -12.149 -5.771 126 2HB LYS 24 1HB LYS 24 17.479 -13.407 -5.002 127 1HG LYS 24 2HG LYS 24 14.544 -13.505 -5.663 128 2HG LYS 24 1HG LYS 24 15.844 -14.429 -6.418 129 1HD LYS 24 2HD LYS 24 16.106 -15.006 -3.725 130 2HD LYS 24 1HD LYS 24 14.359 -14.951 -3.971 131 1HE LYS 24 2HE LYS 24 15.229 -17.206 -4.314 132 2HE LYS 24 1HE LYS 24 14.559 -16.546 -5.806 133 1HZ LYS 24 1HZ LYS 24 16.948 -17.707 -5.646 134 2HZ LYS 24 2HZ LYS 24 17.397 -16.095 -5.392 135 3HZ LYS 24 3HZ LYS 24 16.561 -16.529 -6.798 136 H GLY 25 H GLY 25 16.338 -10.912 -1.577 137 1HA GLY 25 2HA GLY 25 18.474 -9.483 -1.394 138 2HA GLY 25 1HA GLY 25 17.889 -8.787 -2.898 139 H ARG 26 H ARG 26 17.201 -9.188 0.528 140 HA ARG 26 HA ARG 26 14.873 -7.700 0.723 141 1HB ARG 26 2HB ARG 26 17.119 -7.930 2.730 142 2HB ARG 26 1HB ARG 26 15.499 -7.346 3.086 143 1HG ARG 26 2HG ARG 26 15.135 -9.468 3.701 144 2HG ARG 26 1HG ARG 26 14.926 -9.738 1.969 145 1HD ARG 26 2HD ARG 26 16.962 -10.759 1.743 146 2HD ARG 26 1HD ARG 26 17.675 -9.878 3.093 147 HE ARG 26 HE ARG 26 16.278 -12.390 3.201 148 1HH1 ARG 26 1HH1 ARG 26 17.241 -9.569 5.016 149 2HH1 ARG 26 2HH1 ARG 26 17.161 -10.373 6.548 150 1HH2 ARG 26 1HH2 ARG 26 16.171 -13.448 5.214 151 2HH2 ARG 26 2HH2 ARG 26 16.552 -12.575 6.660 152 H THR 27 H THR 27 15.033 -5.909 -0.680 153 HA THR 27 HA THR 27 17.049 -3.933 -0.336 154 HB THR 27 HB THR 27 16.337 -3.783 -2.477 155 HG1 THR 27 1HG THR 27 15.988 -1.736 -1.652 156 1HG2 THR 27 1HG2 THR 27 13.855 -3.833 -3.107 157 2HG2 THR 27 2HG2 THR 27 13.611 -4.529 -1.505 158 3HG2 THR 27 3HG2 THR 27 14.638 -5.354 -2.678 159 H LYS 28 H LYS 28 16.585 -1.680 0.131 160 HA LYS 28 HA LYS 28 15.036 -1.477 2.576 161 1HB LYS 28 2HB LYS 28 17.049 0.249 1.189 162 2HB LYS 28 1HB LYS 28 15.992 0.964 2.399 163 1HG LYS 28 2HG LYS 28 16.887 -1.271 3.683 164 2HG LYS 28 1HG LYS 28 18.290 -0.806 2.719 165 1HD LYS 28 2HD LYS 28 16.771 1.094 4.498 166 2HD LYS 28 1HD LYS 28 18.205 0.203 5.013 167 1HE LYS 28 2HE LYS 28 19.610 1.439 3.702 168 2HE LYS 28 1HE LYS 28 18.368 1.772 2.496 169 1HZ LYS 28 1HZ LYS 28 19.199 3.629 4.107 170 2HZ LYS 28 2HZ LYS 28 18.081 2.939 5.171 171 3HZ LYS 28 3HZ LYS 28 17.566 3.538 3.676 172 H LEU 29 H LEU 29 13.372 0.031 2.940 173 HA LEU 29 HA LEU 29 11.701 0.484 0.668 174 1HB LEU 29 2HB LEU 29 11.432 0.812 3.614 175 2HB LEU 29 1HB LEU 29 10.324 1.695 2.574 176 HG LEU 29 HG LEU 29 10.661 -1.300 2.740 177 1HD1 LEU 29 1HD1 LEU 29 8.674 0.672 3.731 178 2HD1 LEU 29 2HD1 LEU 29 9.278 -0.807 4.482 179 3HD1 LEU 29 3HD1 LEU 29 8.088 -0.899 3.183 180 1HD2 LEU 29 1HD2 LEU 29 9.166 0.416 0.782 181 2HD2 LEU 29 2HD2 LEU 29 8.668 -1.238 1.137 182 3HD2 LEU 29 3HD2 LEU 29 10.267 -0.924 0.463 183 HA PRO 30 HA PRO 30 12.611 4.631 -0.475 184 1HB PRO 30 2HB PRO 30 9.734 5.254 -0.012 185 2HB PRO 30 1HB PRO 30 10.730 5.536 -1.446 186 1HG PRO 30 2HG PRO 30 8.959 3.553 -1.402 187 2HG PRO 30 1HG PRO 30 10.546 3.336 -2.166 188 1HD PRO 30 2HD PRO 30 9.556 2.345 0.472 189 2HD PRO 30 1HD PRO 30 10.636 1.558 -0.697 190 HA PRO 31 HA PRO 31 13.194 7.024 3.195 191 1HB PRO 31 2HB PRO 31 12.754 9.451 1.557 192 2HB PRO 31 1HB PRO 31 14.169 8.970 2.499 193 1HG PRO 31 2HG PRO 31 14.188 8.876 -0.173 194 2HG PRO 31 1HG PRO 31 15.016 7.647 0.801 195 1HD PRO 31 2HD PRO 31 12.391 7.484 -0.625 196 2HD PRO 31 1HD PRO 31 13.666 6.258 -0.464 197 H GLY 32 H GLY 32 11.386 6.675 4.448 198 1HA GLY 32 2HA GLY 32 9.657 7.700 5.688 199 2HA GLY 32 1HA GLY 32 9.369 8.792 4.342 200 H VAL 33 H VAL 33 9.143 5.338 5.164 201 HA VAL 33 HA VAL 33 6.686 5.220 3.636 202 HB VAL 33 HB VAL 33 8.803 3.154 3.885 203 1HG1 VAL 33 1HG1 VAL 33 6.008 2.855 2.844 204 2HG1 VAL 33 2HG1 VAL 33 6.754 1.962 4.169 205 3HG1 VAL 33 3HG1 VAL 33 7.300 1.703 2.511 206 1HG2 VAL 33 1HG2 VAL 33 8.197 5.123 1.975 207 2HG2 VAL 33 2HG2 VAL 33 7.870 3.554 1.242 208 3HG2 VAL 33 3HG2 VAL 33 9.465 3.902 1.912 209 H ASP 34 H ASP 34 5.054 3.887 4.343 210 HA ASP 34 HA ASP 34 5.116 3.449 7.233 211 1HB ASP 34 2HB ASP 34 3.432 4.948 5.696 212 2HB ASP 34 1HB ASP 34 2.523 3.442 5.843 213 H ARG 35 H ARG 35 5.797 1.345 7.420 214 HA ARG 35 HA ARG 35 5.255 -0.802 5.783 215 1HB ARG 35 2HB ARG 35 6.511 -0.430 8.227 216 2HB ARG 35 1HB ARG 35 5.209 -1.552 8.602 217 1HG ARG 35 2HG ARG 35 6.230 -3.246 7.578 218 2HG ARG 35 1HG ARG 35 6.644 -2.261 6.173 219 1HD ARG 35 2HD ARG 35 8.714 -2.850 7.071 220 2HD ARG 35 1HD ARG 35 8.438 -1.217 7.677 221 HE ARG 35 HE ARG 35 7.446 -2.788 9.645 222 1HH1 ARG 35 1HH1 ARG 35 10.507 -2.694 7.971 223 2HH1 ARG 35 2HH1 ARG 35 11.408 -3.286 9.326 224 1HH2 ARG 35 1HH2 ARG 35 8.630 -3.566 11.429 225 2HH2 ARG 35 2HH2 ARG 35 10.343 -3.782 11.289 226 H MET 36 H MET 36 3.278 0.529 8.378 227 HA MET 36 HA MET 36 1.237 -1.476 7.954 228 1HB MET 36 2HB MET 36 2.052 0.178 10.146 229 2HB MET 36 1HB MET 36 0.347 0.446 9.816 230 1HG MET 36 2HG MET 36 -0.248 -1.662 10.416 231 2HG MET 36 1HG MET 36 1.298 -2.356 9.931 232 1HE MET 36 1HE MET 36 3.569 -2.416 12.139 233 2HE MET 36 2HE MET 36 3.566 -0.722 12.630 234 3HE MET 36 3HE MET 36 3.379 -1.146 10.929 235 H ARG 37 H ARG 37 2.019 1.095 6.272 236 HA ARG 37 HA ARG 37 -0.679 1.578 5.375 237 1HB ARG 37 2HB ARG 37 0.271 3.272 7.327 238 2HB ARG 37 1HB ARG 37 0.676 4.137 5.852 239 1HG ARG 37 2HG ARG 37 -1.416 4.954 6.300 240 2HG ARG 37 1HG ARG 37 -1.794 3.624 5.203 241 1HD ARG 37 2HD ARG 37 -2.689 2.328 6.863 242 2HD ARG 37 1HD ARG 37 -1.686 3.052 8.117 243 HE ARG 37 HE ARG 37 -4.274 3.940 7.238 244 1HH1 ARG 37 1HH1 ARG 37 -1.294 4.891 8.784 245 2HH1 ARG 37 2HH1 ARG 37 -2.009 6.225 9.623 246 1HH2 ARG 37 1HH2 ARG 37 -5.217 5.695 8.341 247 2HH2 ARG 37 2HH2 ARG 37 -4.236 6.681 9.374 248 H LEU 38 H LEU 38 0.996 0.316 3.884 249 HA LEU 38 HA LEU 38 2.780 1.920 2.366 250 1HB LEU 38 2HB LEU 38 1.919 -0.860 2.499 251 2HB LEU 38 1HB LEU 38 2.192 -0.326 0.860 252 HG LEU 38 HG LEU 38 4.238 -1.245 1.462 253 1HD1 LEU 38 1HD1 LEU 38 4.435 1.682 2.118 254 2HD1 LEU 38 2HD1 LEU 38 4.594 0.946 0.525 255 3HD1 LEU 38 3HD1 LEU 38 5.805 0.629 1.769 256 1HD2 LEU 38 1HD2 LEU 38 3.421 -0.469 4.134 257 2HD2 LEU 38 2HD2 LEU 38 5.124 -0.127 3.833 258 3HD2 LEU 38 3HD2 LEU 38 4.501 -1.761 3.611 259 H GLU 39 H GLU 39 -0.513 0.988 2.101 260 HA GLU 39 HA GLU 39 -1.072 1.419 -0.583 261 1HB GLU 39 2HB GLU 39 -2.820 1.972 1.819 262 2HB GLU 39 1HB GLU 39 -3.392 1.896 0.157 263 1HG GLU 39 2HG GLU 39 -3.829 -0.240 0.667 264 2HG GLU 39 1HG GLU 39 -2.114 -0.469 0.337 265 H ARG 40 H ARG 40 -0.326 3.713 1.890 266 HA ARG 40 HA ARG 40 -1.492 5.975 0.667 267 1HB ARG 40 2HB ARG 40 0.791 5.900 2.632 268 2HB ARG 40 1HB ARG 40 -0.228 7.287 2.269 269 1HG ARG 40 2HG ARG 40 -1.888 5.103 3.046 270 2HG ARG 40 1HG ARG 40 -0.604 5.304 4.238 271 1HD ARG 40 2HD ARG 40 -1.424 7.263 4.972 272 2HD ARG 40 1HD ARG 40 -1.833 7.811 3.347 273 HE ARG 40 HE ARG 40 -3.697 5.918 3.840 274 1HH1 ARG 40 1HH1 ARG 40 -2.628 8.725 5.617 275 2HH1 ARG 40 2HH1 ARG 40 -4.171 9.002 6.352 276 1HH2 ARG 40 1HH2 ARG 40 -5.727 6.281 4.806 277 2HH2 ARG 40 2HH2 ARG 40 -5.931 7.615 5.893 278 H HIS 41 H HIS 41 1.097 4.123 -0.258 279 HA HIS 41 HA HIS 41 2.559 6.346 -1.483 280 1HB HIS 41 2HB HIS 41 3.223 3.426 -1.162 281 2HB HIS 41 1HB HIS 41 4.213 4.546 -2.091 282 HD1 HIS 41 1HD HIS 41 5.345 6.515 -0.679 283 HD2 HIS 41 2HD HIS 41 3.680 3.420 1.518 284 HE1 HIS 41 1HE HIS 41 6.339 6.710 1.626 285 HE2 HIS 41 2HE HIS 41 5.085 5.006 2.982 286 H LEU 42 H LEU 42 0.706 3.460 -2.285 287 HA LEU 42 HA LEU 42 1.234 3.207 -4.962 288 1HB LEU 42 2HB LEU 42 -0.944 2.531 -3.126 289 2HB LEU 42 1HB LEU 42 -1.429 2.667 -4.794 290 HG LEU 42 HG LEU 42 0.353 0.660 -3.505 291 1HD1 LEU 42 1HD1 LEU 42 -2.037 0.770 -5.261 292 2HD1 LEU 42 2HD1 LEU 42 -1.742 -0.203 -3.816 293 3HD1 LEU 42 3HD1 LEU 42 -0.992 -0.649 -5.348 294 1HD2 LEU 42 1HD2 LEU 42 0.786 1.879 -6.152 295 2HD2 LEU 42 2HD2 LEU 42 0.722 0.119 -6.135 296 3HD2 LEU 42 3HD2 LEU 42 1.895 0.968 -5.128 297 H SER 43 H SER 43 0.658 4.213 -6.773 298 HA SER 43 HA SER 43 -0.558 6.800 -6.598 299 1HB SER 43 2HB SER 43 1.062 5.456 -8.479 300 2HB SER 43 1HB SER 43 -0.452 5.873 -9.281 301 HG SER 43 HG SER 43 1.143 7.541 -9.402 302 H ALA 44 H ALA 44 -2.421 7.366 -7.938 303 HA ALA 44 HA ALA 44 -4.645 5.807 -7.302 304 1HB ALA 44 1HB ALA 44 -4.436 7.814 -9.539 305 2HB ALA 44 2HB ALA 44 -4.720 8.228 -7.846 306 3HB ALA 44 3HB ALA 44 -5.918 7.286 -8.738 307 H GLU 45 H GLU 45 -2.554 5.799 -10.062 308 HA GLU 45 HA GLU 45 -4.176 4.197 -11.710 309 1HB GLU 45 2HB GLU 45 -2.708 5.259 -13.072 310 2HB GLU 45 1HB GLU 45 -1.508 5.414 -11.798 311 1HG GLU 45 2HG GLU 45 -0.546 3.379 -12.270 312 2HG GLU 45 1HG GLU 45 -1.986 2.764 -13.078 313 H ASP 46 H ASP 46 -1.830 3.663 -9.206 314 HA ASP 46 HA ASP 46 -1.558 0.899 -9.868 315 1HB ASP 46 2HB ASP 46 -0.400 2.526 -7.619 316 2HB ASP 46 1HB ASP 46 -0.144 0.788 -7.784 317 H PHE 47 H PHE 47 -3.044 2.819 -7.255 318 HA PHE 47 HA PHE 47 -3.861 0.635 -5.721 319 1HB PHE 47 2HB PHE 47 -4.011 2.932 -4.881 320 2HB PHE 47 1HB PHE 47 -5.267 3.282 -6.071 321 HD1 PHE 47 1HD PHE 47 -7.465 2.193 -5.901 322 HD2 PHE 47 2HD PHE 47 -4.501 1.774 -2.881 323 HE1 PHE 47 1HE PHE 47 -9.177 1.362 -4.347 324 HE2 PHE 47 2HE PHE 47 -6.198 0.941 -1.318 325 HZ PHE 47 HZ PHE 47 -8.549 0.733 -2.058 326 H SER 48 H SER 48 -5.589 2.425 -8.139 327 HA SER 48 HA SER 48 -7.897 0.914 -8.246 328 1HB SER 48 2HB SER 48 -6.548 2.752 -10.153 329 2HB SER 48 1HB SER 48 -7.880 1.764 -10.751 330 HG SER 48 HG SER 48 -8.059 4.015 -9.443 331 H ARG 49 H ARG 49 -4.816 0.305 -9.655 332 HA ARG 49 HA ARG 49 -5.832 -1.904 -11.180 333 1HB ARG 49 2HB ARG 49 -3.174 -0.541 -11.074 334 2HB ARG 49 1HB ARG 49 -3.365 -2.092 -11.880 335 1HG ARG 49 2HG ARG 49 -5.171 -1.022 -13.269 336 2HG ARG 49 1HG ARG 49 -4.664 0.524 -12.584 337 1HD ARG 49 2HD ARG 49 -2.281 -0.384 -13.369 338 2HD ARG 49 1HD ARG 49 -3.293 -1.242 -14.530 339 HE ARG 49 HE ARG 49 -2.714 1.563 -14.484 340 1HH1 ARG 49 1HH1 ARG 49 -5.060 -0.831 -15.459 341 2HH1 ARG 49 2HH1 ARG 49 -5.734 0.158 -16.710 342 1HH2 ARG 49 1HH2 ARG 49 -3.601 2.865 -16.129 343 2HH2 ARG 49 2HH2 ARG 49 -4.907 2.256 -17.090 344 H VAL 50 H VAL 50 -4.353 -1.279 -8.233 345 HA VAL 50 HA VAL 50 -3.221 -3.890 -7.892 346 HB VAL 50 HB VAL 50 -3.204 -1.364 -6.317 347 1HG1 VAL 50 1HG1 VAL 50 -1.854 -3.701 -5.132 348 2HG1 VAL 50 2HG1 VAL 50 -3.587 -3.570 -4.866 349 3HG1 VAL 50 3HG1 VAL 50 -2.512 -2.273 -4.355 350 1HG2 VAL 50 1HG2 VAL 50 -1.260 -1.217 -7.305 351 2HG2 VAL 50 2HG2 VAL 50 -1.456 -2.791 -8.051 352 3HG2 VAL 50 3HG2 VAL 50 -0.705 -2.648 -6.459 353 H PHE 51 H PHE 51 -5.813 -1.953 -6.416 354 HA PHE 51 HA PHE 51 -6.770 -4.397 -5.120 355 1HB PHE 51 2HB PHE 51 -7.369 -1.523 -4.402 356 2HB PHE 51 1HB PHE 51 -7.906 -2.947 -3.518 357 HD1 PHE 51 1HD PHE 51 -6.195 -4.419 -2.437 358 HD2 PHE 51 2HD PHE 51 -5.257 -0.569 -4.001 359 HE1 PHE 51 1HE PHE 51 -4.145 -4.371 -1.086 360 HE2 PHE 51 2HE PHE 51 -3.216 -0.508 -2.629 361 HZ PHE 51 HZ PHE 51 -2.648 -2.416 -1.177 362 H ALA 52 H ALA 52 -7.350 -2.752 -7.840 363 HA ALA 52 HA ALA 52 -9.106 -2.467 -9.248 364 1HB ALA 52 1HB ALA 52 -9.096 -4.987 -8.345 365 2HB ALA 52 2HB ALA 52 -10.216 -4.393 -9.576 366 3HB ALA 52 3HB ALA 52 -10.733 -4.505 -7.890 367 H MET 53 H MET 53 -9.071 -0.719 -7.094 368 HA MET 53 HA MET 53 -11.883 -0.064 -6.886 369 1HB MET 53 2HB MET 53 -10.121 -0.774 -4.624 370 2HB MET 53 1HB MET 53 -11.110 0.659 -4.397 371 1HG MET 53 2HG MET 53 -12.714 -0.702 -3.723 372 2HG MET 53 1HG MET 53 -12.885 -1.188 -5.409 373 1HE MET 53 1HE MET 53 -9.599 -2.077 -3.357 374 2HE MET 53 2HE MET 53 -10.199 -3.437 -2.409 375 3HE MET 53 3HE MET 53 -10.863 -1.825 -2.151 376 H SER 54 H SER 54 -12.140 2.214 -5.953 377 HA SER 54 HA SER 54 -10.274 3.927 -7.304 378 1HB SER 54 2HB SER 54 -11.807 5.749 -6.440 379 2HB SER 54 1HB SER 54 -12.582 4.551 -7.477 380 HG SER 54 HG SER 54 -13.923 4.432 -5.851 381 HA PRO 55 HA PRO 55 -7.371 4.530 -4.022 382 1HB PRO 55 2HB PRO 55 -7.341 7.366 -4.454 383 2HB PRO 55 1HB PRO 55 -6.140 6.182 -4.974 384 1HG PRO 55 2HG PRO 55 -8.406 7.361 -6.485 385 2HG PRO 55 1HG PRO 55 -6.862 6.735 -7.083 386 1HD PRO 55 2HD PRO 55 -9.132 5.403 -7.461 387 2HD PRO 55 1HD PRO 55 -7.624 4.540 -7.082 388 H GLU 56 H GLU 56 -10.119 6.596 -4.457 389 HA GLU 56 HA GLU 56 -10.279 7.638 -1.869 390 1HB GLU 56 2HB GLU 56 -12.667 8.104 -2.655 391 2HB GLU 56 1HB GLU 56 -11.362 8.898 -3.508 392 1HG GLU 56 2HG GLU 56 -11.565 7.379 -5.333 393 2HG GLU 56 1HG GLU 56 -12.691 6.365 -4.429 394 H GLU 57 H GLU 57 -11.850 4.943 -3.524 395 HA GLU 57 HA GLU 57 -13.726 4.178 -1.751 396 1HB GLU 57 2HB GLU 57 -12.058 2.812 -3.723 397 2HB GLU 57 1HB GLU 57 -12.676 1.772 -2.465 398 1HG GLU 57 2HG GLU 57 -14.548 3.610 -3.855 399 2HG GLU 57 1HG GLU 57 -14.006 2.150 -4.681 400 H PHE 58 H PHE 58 -10.354 3.610 -1.672 401 HA PHE 58 HA PHE 58 -10.224 2.086 0.687 402 1HB PHE 58 2HB PHE 58 -8.404 2.863 -1.240 403 2HB PHE 58 1HB PHE 58 -7.875 3.751 0.183 404 HD1 PHE 58 1HD PHE 58 -9.302 0.359 -0.318 405 HD2 PHE 58 2HD PHE 58 -6.081 2.688 1.156 406 HE1 PHE 58 1HE PHE 58 -8.235 -1.676 0.546 407 HE2 PHE 58 2HE PHE 58 -5.006 0.664 2.028 408 HZ PHE 58 HZ PHE 58 -6.088 -1.512 1.714 409 H GLY 59 H GLY 59 -9.841 5.552 -0.001 410 1HA GLY 59 2HA GLY 59 -9.189 6.388 2.592 411 2HA GLY 59 1HA GLY 59 -10.001 7.377 1.387 412 H LYS 60 H LYS 60 -12.176 5.173 1.406 413 HA LYS 60 HA LYS 60 -13.625 6.309 3.612 414 1HB LYS 60 2HB LYS 60 -14.433 5.194 0.990 415 2HB LYS 60 1HB LYS 60 -15.588 5.123 2.313 416 1HG LYS 60 2HG LYS 60 -16.017 7.318 2.223 417 2HG LYS 60 1HG LYS 60 -14.325 7.740 1.957 418 1HD LYS 60 2HD LYS 60 -15.723 6.383 -0.270 419 2HD LYS 60 1HD LYS 60 -16.222 8.038 0.087 420 1HE LYS 60 2HE LYS 60 -13.314 7.565 -0.003 421 2HE LYS 60 1HE LYS 60 -14.163 7.394 -1.539 422 1HZ LYS 60 1HZ LYS 60 -14.898 9.739 -0.022 423 2HZ LYS 60 2HZ LYS 60 -14.528 9.584 -1.665 424 3HZ LYS 60 3HZ LYS 60 -13.283 9.722 -0.529 425 H LEU 61 H LEU 61 -12.427 3.324 2.448 426 HA LEU 61 HA LEU 61 -14.020 1.494 3.801 427 1HB LEU 61 2HB LEU 61 -11.108 1.373 3.077 428 2HB LEU 61 1HB LEU 61 -11.973 0.022 3.771 429 HG LEU 61 HG LEU 61 -12.896 1.311 1.222 430 1HD1 LEU 61 1HD1 LEU 61 -11.330 -1.175 1.074 431 2HD1 LEU 61 2HD1 LEU 61 -10.417 0.291 1.416 432 3HD1 LEU 61 3HD1 LEU 61 -11.404 0.189 -0.042 433 1HD2 LEU 61 1HD2 LEU 61 -13.319 -1.355 2.544 434 2HD2 LEU 61 2HD2 LEU 61 -13.796 -1.005 0.882 435 3HD2 LEU 61 3HD2 LEU 61 -14.524 -0.109 2.216 436 H ALA 62 H ALA 62 -12.841 -0.014 5.492 437 HA ALA 62 HA ALA 62 -12.379 1.658 7.850 438 1HB ALA 62 1HB ALA 62 -12.794 -1.333 7.826 439 2HB ALA 62 2HB ALA 62 -14.131 -0.176 7.831 440 3HB ALA 62 3HB ALA 62 -12.990 -0.205 9.173 441 H LEU 63 H LEU 63 -10.961 -0.031 9.459 442 HA LEU 63 HA LEU 63 -8.350 0.099 8.223 443 1HB LEU 63 2HB LEU 63 -9.322 0.422 10.843 444 2HB LEU 63 1HB LEU 63 -8.288 -0.995 10.874 445 HG LEU 63 HG LEU 63 -7.020 0.985 11.468 446 1HD1 LEU 63 1HD1 LEU 63 -6.247 -0.908 9.699 447 2HD1 LEU 63 2HD1 LEU 63 -5.186 0.346 10.342 448 3HD1 LEU 63 3HD1 LEU 63 -5.951 0.559 8.767 449 1HD2 LEU 63 1HD2 LEU 63 -7.212 2.170 8.769 450 2HD2 LEU 63 2HD2 LEU 63 -7.032 2.947 10.342 451 3HD2 LEU 63 3HD2 LEU 63 -8.615 2.370 9.820 452 H TRP 64 H TRP 64 -10.675 -2.207 9.125 453 HA TRP 64 HA TRP 64 -8.945 -4.449 9.033 454 1HB TRP 64 2HB TRP 64 -11.083 -5.744 9.253 455 2HB TRP 64 1HB TRP 64 -10.799 -4.569 10.533 456 HD1 TRP 64 HD TRP 64 -12.373 -2.357 10.535 457 HE1 TRP 64 1HE TRP 64 -14.716 -1.967 9.517 458 HE3 TRP 64 3HE TRP 64 -12.532 -6.262 7.282 459 HZ2 TRP 64 2HZ TRP 64 -16.397 -3.156 7.618 460 HZ3 TRP 64 3HZ TRP 64 -14.537 -6.581 5.889 461 HH2 TRP 64 HH TRP 64 -16.430 -5.041 6.061 462 H LYS 65 H LYS 65 -11.682 -3.365 7.017 463 HA LYS 65 HA LYS 65 -11.359 -5.309 5.051 464 1HB LYS 65 2HB LYS 65 -12.477 -3.459 3.545 465 2HB LYS 65 1HB LYS 65 -13.394 -4.257 4.809 466 1HG LYS 65 2HG LYS 65 -12.923 -2.329 6.283 467 2HG LYS 65 1HG LYS 65 -12.146 -1.536 4.913 468 1HD LYS 65 2HD LYS 65 -14.122 -0.834 4.175 469 2HD LYS 65 1HD LYS 65 -14.706 -2.496 4.093 470 1HE LYS 65 2HE LYS 65 -16.073 -2.098 5.793 471 2HE LYS 65 1HE LYS 65 -14.699 -1.685 6.814 472 1HZ LYS 65 1HZ LYS 65 -14.905 0.572 5.516 473 2HZ LYS 65 2HZ LYS 65 -15.849 0.258 6.883 474 3HZ LYS 65 3HZ LYS 65 -16.512 0.072 5.338 475 H ARG 66 H ARG 66 -9.842 -2.200 5.542 476 HA ARG 66 HA ARG 66 -8.493 -2.004 3.082 477 1HB ARG 66 2HB ARG 66 -8.371 -0.763 5.750 478 2HB ARG 66 1HB ARG 66 -6.849 -0.775 4.881 479 1HG ARG 66 2HG ARG 66 -8.366 0.145 2.922 480 2HG ARG 66 1HG ARG 66 -9.374 0.659 4.276 481 1HD ARG 66 2HD ARG 66 -7.602 2.296 3.394 482 2HD ARG 66 1HD ARG 66 -7.715 2.053 5.137 483 HE ARG 66 HE ARG 66 -5.832 0.278 3.960 484 1HH1 ARG 66 1HH1 ARG 66 -6.262 3.594 4.967 485 2HH1 ARG 66 2HH1 ARG 66 -4.578 3.854 5.269 486 1HH2 ARG 66 1HH2 ARG 66 -3.616 0.618 4.366 487 2HH2 ARG 66 2HH2 ARG 66 -3.075 2.164 4.925 488 H ASN 67 H ASN 67 -7.682 -3.437 6.222 489 HA ASN 67 HA ASN 67 -5.073 -4.222 5.610 490 1HB ASN 67 2HB ASN 67 -7.080 -4.745 7.688 491 2HB ASN 67 1HB ASN 67 -5.930 -6.049 7.446 492 1HD2 ASN 67 1HD2 ASN 67 -6.364 -4.059 9.636 493 2HD2 ASN 67 2HD2 ASN 67 -4.813 -3.343 9.893 494 H GLU 68 H GLU 68 -8.181 -5.923 5.386 495 HA GLU 68 HA GLU 68 -7.163 -8.355 4.507 496 1HB GLU 68 2HB GLU 68 -9.295 -8.866 4.935 497 2HB GLU 68 1HB GLU 68 -9.742 -7.170 4.916 498 1HG GLU 68 2HG GLU 68 -10.329 -7.226 2.661 499 2HG GLU 68 1HG GLU 68 -9.445 -8.724 2.372 500 H LEU 69 H LEU 69 -7.603 -5.392 2.912 501 HA LEU 69 HA LEU 69 -7.475 -6.536 0.246 502 1HB LEU 69 2HB LEU 69 -7.682 -3.712 1.276 503 2HB LEU 69 1HB LEU 69 -7.478 -4.090 -0.431 504 HG LEU 69 HG LEU 69 -9.775 -4.999 1.292 505 1HD1 LEU 69 1HD1 LEU 69 -10.142 -2.726 0.982 506 2HD1 LEU 69 2HD1 LEU 69 -11.024 -3.464 -0.356 507 3HD1 LEU 69 3HD1 LEU 69 -9.443 -2.734 -0.637 508 1HD2 LEU 69 1HD2 LEU 69 -8.749 -6.016 -1.125 509 2HD2 LEU 69 2HD2 LEU 69 -10.248 -5.169 -1.513 510 3HD2 LEU 69 3HD2 LEU 69 -10.248 -6.457 -0.307 511 H LYS 70 H LYS 70 -5.556 -4.232 2.163 512 HA LYS 70 HA LYS 70 -3.438 -3.868 0.487 513 1HB LYS 70 2HB LYS 70 -2.409 -2.909 2.273 514 2HB LYS 70 1HB LYS 70 -4.035 -2.980 2.908 515 1HG LYS 70 2HG LYS 70 -3.367 -5.181 3.976 516 2HG LYS 70 1HG LYS 70 -1.707 -4.749 3.565 517 1HD LYS 70 2HD LYS 70 -3.577 -3.052 5.215 518 2HD LYS 70 1HD LYS 70 -2.329 -4.110 5.874 519 1HE LYS 70 2HE LYS 70 -1.002 -2.565 3.986 520 2HE LYS 70 1HE LYS 70 -2.109 -1.439 4.772 521 1HZ LYS 70 1HZ LYS 70 0.297 -2.082 5.730 522 2HZ LYS 70 2HZ LYS 70 -0.663 -3.199 6.560 523 3HZ LYS 70 3HZ LYS 70 -0.985 -1.544 6.694 524 H LYS 71 H LYS 71 -4.228 -6.680 2.357 525 HA LYS 71 HA LYS 71 -1.699 -7.918 2.152 526 1HB LYS 71 2HB LYS 71 -4.280 -8.580 3.254 527 2HB LYS 71 1HB LYS 71 -3.617 -9.953 2.378 528 1HG LYS 71 2HG LYS 71 -1.659 -9.970 3.739 529 2HG LYS 71 1HG LYS 71 -2.114 -8.446 4.503 530 1HD LYS 71 2HD LYS 71 -3.800 -10.935 4.669 531 2HD LYS 71 1HD LYS 71 -2.554 -10.537 5.854 532 1HE LYS 71 2HE LYS 71 -3.765 -8.853 6.766 533 2HE LYS 71 1HE LYS 71 -4.504 -8.407 5.228 534 1HZ LYS 71 1HZ LYS 71 -5.375 -10.364 7.213 535 2HZ LYS 71 2HZ LYS 71 -5.659 -10.737 5.587 536 3HZ LYS 71 3HZ LYS 71 -6.292 -9.316 6.251 537 H LYS 72 H LYS 72 -4.534 -7.854 0.186 538 HA LYS 72 HA LYS 72 -3.860 -9.913 -1.562 539 1HB LYS 72 2HB LYS 72 -5.774 -7.685 -1.568 540 2HB LYS 72 1HB LYS 72 -5.278 -8.233 -3.163 541 1HG LYS 72 2HG LYS 72 -7.015 -9.638 -2.887 542 2HG LYS 72 1HG LYS 72 -5.803 -10.599 -2.039 543 1HD LYS 72 2HD LYS 72 -7.605 -10.572 -0.563 544 2HD LYS 72 1HD LYS 72 -6.546 -9.303 0.056 545 1HE LYS 72 2HE LYS 72 -8.543 -8.194 0.080 546 2HE LYS 72 1HE LYS 72 -7.994 -7.792 -1.545 547 1HZ LYS 72 1HZ LYS 72 -10.022 -8.541 -2.102 548 2HZ LYS 72 2HZ LYS 72 -10.202 -9.468 -0.699 549 3HZ LYS 72 3HZ LYS 72 -9.302 -10.068 -1.998 550 H ALA 73 H ALA 73 -2.972 -6.594 -1.356 551 HA ALA 73 HA ALA 73 -1.507 -6.654 -3.837 552 1HB ALA 73 1HB ALA 73 -1.798 -4.447 -1.811 553 2HB ALA 73 2HB ALA 73 -2.776 -4.649 -3.263 554 3HB ALA 73 3HB ALA 73 -1.052 -4.299 -3.402 555 H SER 74 H SER 74 -0.978 -7.358 -0.549 556 HA SER 74 HA SER 74 0.886 -8.145 0.506 557 1HB SER 74 2HB SER 74 2.720 -7.328 -1.711 558 2HB SER 74 1HB SER 74 2.786 -8.746 -0.665 559 HG SER 74 HG SER 74 1.655 -9.796 -2.082 560 H LEU 75 H LEU 75 -0.003 -5.200 0.065 561 HA LEU 75 HA LEU 75 2.394 -3.732 0.716 562 1HB LEU 75 2HB LEU 75 -0.480 -2.813 0.760 563 2HB LEU 75 1HB LEU 75 0.938 -1.787 0.797 564 HG LEU 75 HG LEU 75 -0.251 -3.285 -1.496 565 1HD1 LEU 75 1HD1 LEU 75 -0.104 -1.218 -2.614 566 2HD1 LEU 75 2HD1 LEU 75 1.012 -0.561 -1.416 567 3HD1 LEU 75 3HD1 LEU 75 -0.676 -0.843 -0.988 568 1HD2 LEU 75 1HD2 LEU 75 1.830 -4.114 -1.875 569 2HD2 LEU 75 2HD2 LEU 75 2.636 -2.809 -1.007 570 3HD2 LEU 75 3HD2 LEU 75 2.016 -2.532 -2.633 571 H PHE 76 H PHE 76 0.364 -5.695 2.441 572 HA PHE 76 HA PHE 76 -0.025 -4.288 4.832 573 1HB PHE 76 2HB PHE 76 -1.035 -6.553 3.989 574 2HB PHE 76 1HB PHE 76 0.360 -7.260 4.799 575 HD1 PHE 76 1HD PHE 76 -2.947 -6.794 5.227 576 HD2 PHE 76 2HD PHE 76 0.700 -5.896 7.232 577 HE1 PHE 76 1HE PHE 76 -4.146 -6.710 7.368 578 HE2 PHE 76 2HE PHE 76 -0.499 -5.805 9.378 579 HZ PHE 76 HZ PHE 76 -2.927 -6.212 9.446 Start of MODEL 3 1 HA PRO 9 HA PRO 9 -0.424 14.954 1.318 2 1HB PRO 9 2HB PRO 9 -2.284 14.144 3.389 3 2HB PRO 9 1HB PRO 9 -1.788 15.772 2.911 4 1HG PRO 9 2HG PRO 9 -4.278 14.774 2.441 5 2HG PRO 9 1HG PRO 9 -3.507 16.001 1.419 6 1HD PRO 9 2HD PRO 9 -3.741 13.039 0.976 7 2HD PRO 9 1HD PRO 9 -3.971 14.367 -0.178 8 H GLY 10 H GLY 10 0.693 14.065 3.233 9 1HA GLY 10 2HA GLY 10 1.379 12.270 4.602 10 2HA GLY 10 1HA GLY 10 0.452 11.173 3.590 11 H LEU 11 H LEU 11 2.031 9.705 3.140 12 HA LEU 11 HA LEU 11 4.670 10.406 2.419 13 1HB LEU 11 2HB LEU 11 3.421 7.796 1.668 14 2HB LEU 11 1HB LEU 11 5.071 8.128 2.156 15 HG LEU 11 HG LEU 11 3.300 8.787 4.318 16 1HD1 LEU 11 1HD1 LEU 11 1.966 7.001 2.966 17 2HD1 LEU 11 2HD1 LEU 11 2.109 6.864 4.718 18 3HD1 LEU 11 3HD1 LEU 11 3.133 5.881 3.670 19 1HD2 LEU 11 1HD2 LEU 11 5.598 6.954 3.819 20 2HD2 LEU 11 2HD2 LEU 11 4.681 6.818 5.318 21 3HD2 LEU 11 3HD2 LEU 11 5.480 8.336 4.906 22 H GLN 12 H GLN 12 5.692 10.313 0.383 23 HA GLN 12 HA GLN 12 4.148 11.293 -1.750 24 1HB GLN 12 2HB GLN 12 6.210 12.141 -2.023 25 2HB GLN 12 1HB GLN 12 6.962 10.833 -1.131 26 1HG GLN 12 2HG GLN 12 7.912 10.493 -3.141 27 2HG GLN 12 1HG GLN 12 6.469 9.515 -3.368 28 1HE2 GLN 12 1HE2 GLN 12 5.383 9.868 -5.172 29 2HE2 GLN 12 2HE2 GLN 12 5.420 11.310 -6.118 30 H ILE 13 H ILE 13 3.638 10.355 -3.734 31 HA ILE 13 HA ILE 13 2.869 7.636 -3.649 32 HB ILE 13 HB ILE 13 3.020 9.510 -6.003 33 1HG1 ILE 13 2HG1 ILE 13 1.657 10.179 -3.928 34 2HG1 ILE 13 1HG1 ILE 13 0.853 10.226 -5.489 35 1HG2 ILE 13 1HG2 ILE 13 2.028 6.750 -5.706 36 2HG2 ILE 13 2HG2 ILE 13 2.604 7.611 -7.133 37 3HG2 ILE 13 3HG2 ILE 13 0.963 7.873 -6.551 38 1HD1 ILE 13 1HD1 ILE 13 0.600 7.687 -4.047 39 2HD1 ILE 13 2HD1 ILE 13 -0.612 8.629 -4.916 40 3HD1 ILE 13 3HD1 ILE 13 -0.163 9.075 -3.269 41 H TYR 14 H TYR 14 3.799 5.838 -4.383 42 HA TYR 14 HA TYR 14 6.278 6.062 -5.956 43 1HB TYR 14 2HB TYR 14 5.618 4.013 -3.827 44 2HB TYR 14 1HB TYR 14 7.067 4.010 -4.825 45 HD1 TYR 14 1HD TYR 14 6.991 4.015 -1.809 46 HD2 TYR 14 2HD TYR 14 7.216 7.190 -4.626 47 HE1 TYR 14 1HE TYR 14 8.138 5.403 -0.139 48 HE2 TYR 14 2HE TYR 14 8.368 8.591 -2.964 49 HH TYR 14 HH TYR 14 9.678 7.359 -0.115 50 HA PRO 15 HA PRO 15 4.213 3.500 -8.902 51 1HB PRO 15 2HB PRO 15 6.781 2.329 -9.686 52 2HB PRO 15 1HB PRO 15 5.717 3.401 -10.598 53 1HG PRO 15 2HG PRO 15 8.105 4.211 -9.632 54 2HG PRO 15 1HG PRO 15 6.718 5.304 -9.785 55 1HD PRO 15 2HD PRO 15 7.780 3.921 -7.352 56 2HD PRO 15 1HD PRO 15 7.175 5.580 -7.531 57 H TYR 16 H TYR 16 4.010 2.351 -6.428 58 HA TYR 16 HA TYR 16 3.717 0.376 -5.334 59 1HB TYR 16 2HB TYR 16 2.259 0.026 -7.287 60 2HB TYR 16 1HB TYR 16 3.604 -0.710 -8.144 61 HD1 TYR 16 1HD TYR 16 3.451 -2.997 -8.322 62 HD2 TYR 16 2HD TYR 16 2.005 -1.141 -4.775 63 HE1 TYR 16 1HE TYR 16 2.796 -5.195 -7.445 64 HE2 TYR 16 2HE TYR 16 1.348 -3.339 -3.884 65 HH TYR 16 HH TYR 16 1.987 -5.725 -4.223 66 H GLU 17 H GLU 17 5.521 -0.801 -8.081 67 HA GLU 17 HA GLU 17 6.973 -2.766 -6.872 68 1HB GLU 17 2HB GLU 17 7.420 -1.087 -9.288 69 2HB GLU 17 1HB GLU 17 8.745 -2.099 -8.730 70 1HG GLU 17 2HG GLU 17 7.000 -3.994 -8.729 71 2HG GLU 17 1HG GLU 17 6.055 -2.910 -9.748 72 H MET 18 H MET 18 7.464 0.642 -6.644 73 HA MET 18 HA MET 18 10.172 0.686 -5.918 74 1HB MET 18 2HB MET 18 7.991 2.543 -6.012 75 2HB MET 18 1HB MET 18 8.833 2.729 -4.480 76 1HG MET 18 2HG MET 18 10.908 2.590 -6.239 77 2HG MET 18 1HG MET 18 9.678 3.419 -7.192 78 1HE MET 18 1HE MET 18 9.308 5.792 -7.166 79 2HE MET 18 2HE MET 18 9.386 6.845 -5.753 80 3HE MET 18 3HE MET 18 8.200 5.541 -5.817 81 H LEU 19 H LEU 19 7.371 -0.359 -4.292 82 HA LEU 19 HA LEU 19 8.792 -0.521 -1.719 83 1HB LEU 19 2HB LEU 19 5.831 -0.729 -2.215 84 2HB LEU 19 1HB LEU 19 6.633 -0.550 -0.663 85 HG LEU 19 HG LEU 19 7.148 1.633 -2.567 86 1HD1 LEU 19 1HD1 LEU 19 5.065 2.280 -3.026 87 2HD1 LEU 19 2HD1 LEU 19 4.564 2.062 -1.350 88 3HD1 LEU 19 3HD1 LEU 19 4.530 0.698 -2.461 89 1HD2 LEU 19 1HD2 LEU 19 7.175 1.158 0.230 90 2HD2 LEU 19 2HD2 LEU 19 6.020 2.451 -0.088 91 3HD2 LEU 19 3HD2 LEU 19 7.685 2.601 -0.643 92 H VAL 20 H VAL 20 6.750 -2.207 -4.023 93 HA VAL 20 HA VAL 20 6.577 -4.676 -2.674 94 HB VAL 20 HB VAL 20 6.380 -4.211 -5.642 95 1HG1 VAL 20 1HG1 VAL 20 6.330 -6.479 -5.422 96 2HG1 VAL 20 2HG1 VAL 20 4.621 -6.111 -5.209 97 3HG1 VAL 20 3HG1 VAL 20 5.639 -6.429 -3.804 98 1HG2 VAL 20 1HG2 VAL 20 4.916 -2.879 -3.787 99 2HG2 VAL 20 2HG2 VAL 20 3.925 -4.315 -4.038 100 3HG2 VAL 20 3HG2 VAL 20 4.352 -3.286 -5.401 101 H VAL 21 H VAL 21 8.823 -4.951 -2.012 102 HA VAL 21 HA VAL 21 10.793 -5.529 -4.003 103 HB VAL 21 HB VAL 21 10.938 -6.051 -1.036 104 1HG1 VAL 21 1HG1 VAL 21 13.048 -5.863 -3.180 105 2HG1 VAL 21 2HG1 VAL 21 12.627 -7.275 -2.208 106 3HG1 VAL 21 3HG1 VAL 21 13.395 -5.879 -1.450 107 1HG2 VAL 21 1HG2 VAL 21 10.576 -3.604 -2.130 108 2HG2 VAL 21 2HG2 VAL 21 12.336 -3.723 -2.165 109 3HG2 VAL 21 3HG2 VAL 21 11.470 -3.899 -0.639 110 H THR 22 H THR 22 11.022 -7.431 -4.998 111 HA THR 22 HA THR 22 9.516 -9.707 -4.166 112 HB THR 22 HB THR 22 11.332 -10.407 -6.218 113 HG1 THR 22 1HG THR 22 10.096 -7.891 -6.591 114 1HG2 THR 22 1HG2 THR 22 9.483 -10.950 -7.426 115 2HG2 THR 22 2HG2 THR 22 8.567 -9.555 -6.855 116 3HG2 THR 22 3HG2 THR 22 8.805 -10.947 -5.798 117 H ASN 23 H ASN 23 11.029 -9.319 -2.077 118 HA ASN 23 HA ASN 23 12.419 -11.684 -1.687 119 1HB ASN 23 2HB ASN 23 14.016 -10.281 -3.244 120 2HB ASN 23 1HB ASN 23 14.420 -9.460 -1.740 121 1HD2 ASN 23 1HD2 ASN 23 13.849 -12.812 -2.769 122 2HD2 ASN 23 2HD2 ASN 23 15.272 -13.458 -2.033 123 H LYS 24 H LYS 24 10.783 -11.135 0.017 124 HA LYS 24 HA LYS 24 11.016 -9.126 1.879 125 1HB LYS 24 2HB LYS 24 9.784 -10.555 3.409 126 2HB LYS 24 1HB LYS 24 9.137 -10.712 1.782 127 1HG LYS 24 2HG LYS 24 11.147 -12.685 2.114 128 2HG LYS 24 1HG LYS 24 10.081 -12.742 3.519 129 1HD LYS 24 2HD LYS 24 9.118 -12.758 0.662 130 2HD LYS 24 1HD LYS 24 9.371 -14.211 1.630 131 1HE LYS 24 2HE LYS 24 7.801 -12.438 3.173 132 2HE LYS 24 1HE LYS 24 7.108 -12.470 1.553 133 1HZ LYS 24 1HZ LYS 24 6.079 -14.286 2.353 134 2HZ LYS 24 2HZ LYS 24 7.236 -14.567 3.555 135 3HZ LYS 24 3HZ LYS 24 7.531 -15.065 1.966 136 H GLY 25 H GLY 25 12.145 -8.796 3.760 137 1HA GLY 25 2HA GLY 25 13.564 -10.398 5.366 138 2HA GLY 25 1HA GLY 25 14.645 -10.259 3.989 139 H ARG 26 H ARG 26 16.232 -8.899 4.488 140 HA ARG 26 HA ARG 26 15.710 -6.641 6.215 141 1HB ARG 26 2HB ARG 26 18.369 -7.499 5.092 142 2HB ARG 26 1HB ARG 26 18.078 -6.446 6.471 143 1HG ARG 26 2HG ARG 26 18.293 -8.226 7.769 144 2HG ARG 26 1HG ARG 26 16.770 -8.820 7.102 145 1HD ARG 26 2HD ARG 26 18.155 -10.597 6.665 146 2HD ARG 26 1HD ARG 26 18.306 -9.682 5.166 147 HE ARG 26 HE ARG 26 20.503 -9.290 5.667 148 1HH1 ARG 26 1HH1 ARG 26 18.870 -10.382 8.551 149 2HH1 ARG 26 2HH1 ARG 26 20.328 -10.522 9.475 150 1HH2 ARG 26 1HH2 ARG 26 22.422 -9.475 6.879 151 2HH2 ARG 26 2HH2 ARG 26 22.345 -10.008 8.525 152 H THR 27 H THR 27 14.586 -6.501 3.621 153 HA THR 27 HA THR 27 16.196 -5.014 1.853 154 HB THR 27 HB THR 27 14.465 -5.877 0.677 155 HG1 THR 27 1HG THR 27 14.363 -3.689 0.254 156 1HG2 THR 27 1HG2 THR 27 12.031 -5.676 1.513 157 2HG2 THR 27 2HG2 THR 27 12.774 -5.437 3.094 158 3HG2 THR 27 3HG2 THR 27 13.076 -6.923 2.195 159 H LYS 28 H LYS 28 15.774 -2.818 1.158 160 HA LYS 28 HA LYS 28 15.324 -1.068 3.483 161 1HB LYS 28 2HB LYS 28 16.978 -0.710 0.988 162 2HB LYS 28 1HB LYS 28 16.601 0.624 2.069 163 1HG LYS 28 2HG LYS 28 17.631 -0.765 3.919 164 2HG LYS 28 1HG LYS 28 18.238 -1.825 2.644 165 1HD LYS 28 2HD LYS 28 19.095 0.455 1.631 166 2HD LYS 28 1HD LYS 28 18.996 0.977 3.314 167 1HE LYS 28 2HE LYS 28 20.884 -0.084 3.806 168 2HE LYS 28 1HE LYS 28 20.249 -1.599 3.167 169 1HZ LYS 28 1HZ LYS 28 21.108 0.346 1.190 170 2HZ LYS 28 2HZ LYS 28 21.325 -1.331 1.226 171 3HZ LYS 28 3HZ LYS 28 22.341 -0.329 2.133 172 H LEU 29 H LEU 29 13.461 -0.004 3.512 173 HA LEU 29 HA LEU 29 11.824 0.190 1.180 174 1HB LEU 29 2HB LEU 29 11.525 0.888 4.059 175 2HB LEU 29 1HB LEU 29 10.436 1.636 2.901 176 HG LEU 29 HG LEU 29 10.728 -1.302 3.518 177 1HD1 LEU 29 1HD1 LEU 29 8.758 0.830 4.093 178 2HD1 LEU 29 2HD1 LEU 29 9.240 -0.564 5.060 179 3HD1 LEU 29 3HD1 LEU 29 8.125 -0.772 3.710 180 1HD2 LEU 29 1HD2 LEU 29 8.662 -1.212 1.801 181 2HD2 LEU 29 2HD2 LEU 29 10.317 -1.578 1.312 182 3HD2 LEU 29 3HD2 LEU 29 9.679 0.054 1.115 183 HA PRO 30 HA PRO 30 12.927 4.125 -0.464 184 1HB PRO 30 2HB PRO 30 10.014 4.753 -0.317 185 2HB PRO 30 1HB PRO 30 11.126 4.895 -1.683 186 1HG PRO 30 2HG PRO 30 9.394 2.888 -1.576 187 2HG PRO 30 1HG PRO 30 11.051 2.616 -2.146 188 1HD PRO 30 2HD PRO 30 9.812 1.925 0.482 189 2HD PRO 30 1HD PRO 30 11.014 1.030 -0.469 190 HA PRO 31 HA PRO 31 13.073 7.200 2.685 191 1HB PRO 31 2HB PRO 31 12.106 9.294 0.842 192 2HB PRO 31 1HB PRO 31 13.658 9.159 1.674 193 1HG PRO 31 2HG PRO 31 13.449 8.752 -0.966 194 2HG PRO 31 1HG PRO 31 14.572 7.811 0.034 195 1HD PRO 31 2HD PRO 31 11.892 7.033 -1.054 196 2HD PRO 31 1HD PRO 31 13.382 6.073 -0.936 197 H GLY 32 H GLY 32 11.645 7.238 4.287 198 1HA GLY 32 2HA GLY 32 9.747 7.703 5.489 199 2HA GLY 32 1HA GLY 32 9.337 8.854 4.228 200 H VAL 33 H VAL 33 9.238 5.394 4.999 201 HA VAL 33 HA VAL 33 6.813 5.190 3.431 202 HB VAL 33 HB VAL 33 8.956 3.170 3.792 203 1HG1 VAL 33 1HG1 VAL 33 6.182 2.785 2.709 204 2HG1 VAL 33 2HG1 VAL 33 6.928 1.941 4.066 205 3HG1 VAL 33 3HG1 VAL 33 7.504 1.653 2.424 206 1HG2 VAL 33 1HG2 VAL 33 8.281 5.051 1.788 207 2HG2 VAL 33 2HG2 VAL 33 8.136 3.424 1.123 208 3HG2 VAL 33 3HG2 VAL 33 9.657 3.952 1.846 209 H ASP 34 H ASP 34 5.183 3.851 4.142 210 HA ASP 34 HA ASP 34 5.210 3.470 7.045 211 1HB ASP 34 2HB ASP 34 3.553 4.979 5.474 212 2HB ASP 34 1HB ASP 34 2.616 3.497 5.668 213 H ARG 35 H ARG 35 5.817 1.358 7.290 214 HA ARG 35 HA ARG 35 5.227 -0.789 5.641 215 1HB ARG 35 2HB ARG 35 6.515 -0.424 8.086 216 2HB ARG 35 1HB ARG 35 5.222 -1.558 8.446 217 1HG ARG 35 2HG ARG 35 6.249 -2.580 6.130 218 2HG ARG 35 1HG ARG 35 7.685 -1.936 6.928 219 1HD ARG 35 2HD ARG 35 6.462 -3.168 9.004 220 2HD ARG 35 1HD ARG 35 5.956 -4.202 7.668 221 HE ARG 35 HE ARG 35 8.658 -3.868 7.336 222 1HH1 ARG 35 1HH1 ARG 35 6.586 -5.088 9.865 223 2HH1 ARG 35 2HH1 ARG 35 7.767 -6.201 10.468 224 1HH2 ARG 35 1HH2 ARG 35 10.214 -5.332 8.128 225 2HH2 ARG 35 2HH2 ARG 35 9.826 -6.341 9.482 226 H MET 36 H MET 36 3.367 0.533 8.337 227 HA MET 36 HA MET 36 1.272 -1.411 7.969 228 1HB MET 36 2HB MET 36 2.192 0.176 10.121 229 2HB MET 36 1HB MET 36 0.533 0.659 9.796 230 1HG MET 36 2HG MET 36 -0.266 -1.549 10.133 231 2HG MET 36 1HG MET 36 1.371 -2.202 10.167 232 1HE MET 36 1HE MET 36 0.643 1.185 11.719 233 2HE MET 36 2HE MET 36 0.223 0.846 13.398 234 3HE MET 36 3HE MET 36 -0.930 0.491 12.113 235 H ARG 37 H ARG 37 2.057 1.125 6.213 236 HA ARG 37 HA ARG 37 -0.648 1.595 5.339 237 1HB ARG 37 2HB ARG 37 0.434 3.356 7.233 238 2HB ARG 37 1HB ARG 37 0.582 4.197 5.698 239 1HG ARG 37 2HG ARG 37 -1.494 4.880 6.334 240 2HG ARG 37 1HG ARG 37 -1.918 3.435 5.413 241 1HD ARG 37 2HD ARG 37 -2.598 2.310 7.247 242 2HD ARG 37 1HD ARG 37 -1.326 2.989 8.261 243 HE ARG 37 HE ARG 37 -2.990 5.086 7.861 244 1HH1 ARG 37 1HH1 ARG 37 -3.490 1.818 8.978 245 2HH1 ARG 37 2HH1 ARG 37 -4.832 2.235 9.988 246 1HH2 ARG 37 1HH2 ARG 37 -4.755 5.637 9.190 247 2HH2 ARG 37 2HH2 ARG 37 -5.551 4.403 10.109 248 H LEU 38 H LEU 38 0.949 0.339 3.812 249 HA LEU 38 HA LEU 38 2.729 1.949 2.273 250 1HB LEU 38 2HB LEU 38 1.970 -0.837 2.484 251 2HB LEU 38 1HB LEU 38 2.110 -0.349 0.813 252 HG LEU 38 HG LEU 38 4.230 -1.143 1.251 253 1HD1 LEU 38 1HD1 LEU 38 4.375 1.767 1.996 254 2HD1 LEU 38 2HD1 LEU 38 4.455 1.092 0.369 255 3HD1 LEU 38 3HD1 LEU 38 5.751 0.771 1.522 256 1HD2 LEU 38 1HD2 LEU 38 3.551 -0.478 3.991 257 2HD2 LEU 38 2HD2 LEU 38 5.223 -0.074 3.597 258 3HD2 LEU 38 3HD2 LEU 38 4.635 -1.719 3.361 259 H GLU 39 H GLU 39 -0.564 1.017 2.077 260 HA GLU 39 HA GLU 39 -1.167 1.366 -0.603 261 1HB GLU 39 2HB GLU 39 -3.452 1.774 0.077 262 2HB GLU 39 1HB GLU 39 -2.755 0.517 1.090 263 1HG GLU 39 2HG GLU 39 -3.716 1.725 2.721 264 2HG GLU 39 1HG GLU 39 -2.211 2.634 2.616 265 H ARG 40 H ARG 40 -0.459 3.746 1.827 266 HA ARG 40 HA ARG 40 -1.530 5.973 0.467 267 1HB ARG 40 2HB ARG 40 0.303 5.588 2.778 268 2HB ARG 40 1HB ARG 40 0.245 7.172 2.018 269 1HG ARG 40 2HG ARG 40 -2.421 6.452 2.356 270 2HG ARG 40 1HG ARG 40 -1.615 5.934 3.838 271 1HD ARG 40 2HD ARG 40 -0.634 8.195 4.046 272 2HD ARG 40 1HD ARG 40 -1.544 8.693 2.620 273 HE ARG 40 HE ARG 40 -2.530 8.449 5.281 274 1HH1 ARG 40 1HH1 ARG 40 -3.441 8.129 1.928 275 2HH1 ARG 40 2HH1 ARG 40 -5.118 8.444 2.223 276 1HH2 ARG 40 1HH2 ARG 40 -4.736 8.862 5.673 277 2HH2 ARG 40 2HH2 ARG 40 -5.853 8.858 4.350 278 H HIS 41 H HIS 41 1.083 4.051 -0.239 279 HA HIS 41 HA HIS 41 2.632 6.184 -1.500 280 1HB HIS 41 2HB HIS 41 3.185 3.274 -0.967 281 2HB HIS 41 1HB HIS 41 4.215 4.243 -2.017 282 HD1 HIS 41 1HD HIS 41 5.521 6.229 -0.853 283 HD2 HIS 41 2HD HIS 41 3.585 3.622 1.724 284 HE1 HIS 41 1HE HIS 41 6.504 6.667 1.422 285 HE2 HIS 41 2HE HIS 41 5.099 5.281 2.978 286 H LEU 42 H LEU 42 0.628 3.413 -2.256 287 HA LEU 42 HA LEU 42 1.220 3.064 -4.936 288 1HB LEU 42 2HB LEU 42 -0.980 2.461 -3.097 289 2HB LEU 42 1HB LEU 42 -1.455 2.581 -4.770 290 HG LEU 42 HG LEU 42 0.254 0.549 -3.433 291 1HD1 LEU 42 1HD1 LEU 42 -2.089 0.701 -5.252 292 2HD1 LEU 42 2HD1 LEU 42 -1.862 -0.250 -3.779 293 3HD1 LEU 42 3HD1 LEU 42 -1.083 -0.751 -5.280 294 1HD2 LEU 42 1HD2 LEU 42 0.703 1.654 -6.154 295 2HD2 LEU 42 2HD2 LEU 42 0.748 -0.098 -5.968 296 3HD2 LEU 42 3HD2 LEU 42 1.843 0.916 -5.029 297 H SER 43 H SER 43 0.794 4.194 -6.723 298 HA SER 43 HA SER 43 -0.372 6.775 -6.560 299 1HB SER 43 2HB SER 43 1.127 5.351 -8.465 300 2HB SER 43 1HB SER 43 -0.397 5.792 -9.234 301 HG SER 43 HG SER 43 0.306 7.750 -9.360 302 H ALA 44 H ALA 44 -2.251 7.415 -7.891 303 HA ALA 44 HA ALA 44 -4.517 5.950 -7.139 304 1HB ALA 44 1HB ALA 44 -4.353 7.974 -9.366 305 2HB ALA 44 2HB ALA 44 -4.493 8.389 -7.655 306 3HB ALA 44 3HB ALA 44 -5.795 7.511 -8.459 307 H GLU 45 H GLU 45 -2.574 5.935 -10.017 308 HA GLU 45 HA GLU 45 -4.338 4.381 -11.571 309 1HB GLU 45 2HB GLU 45 -1.408 5.020 -11.858 310 2HB GLU 45 1HB GLU 45 -2.311 4.077 -13.036 311 1HG GLU 45 2HG GLU 45 -2.275 6.236 -13.908 312 2HG GLU 45 1HG GLU 45 -3.879 6.073 -13.192 313 H ASP 46 H ASP 46 -2.087 3.753 -9.072 314 HA ASP 46 HA ASP 46 -1.774 1.011 -9.840 315 1HB ASP 46 2HB ASP 46 -0.571 2.627 -7.610 316 2HB ASP 46 1HB ASP 46 -0.373 0.877 -7.715 317 H PHE 47 H PHE 47 -3.130 2.851 -7.084 318 HA PHE 47 HA PHE 47 -4.007 0.601 -5.685 319 1HB PHE 47 2HB PHE 47 -4.036 2.829 -4.667 320 2HB PHE 47 1HB PHE 47 -5.298 3.329 -5.794 321 HD1 PHE 47 1HD PHE 47 -7.502 2.116 -5.733 322 HD2 PHE 47 2HD PHE 47 -4.581 1.753 -2.668 323 HE1 PHE 47 1HE PHE 47 -9.221 1.240 -4.213 324 HE2 PHE 47 2HE PHE 47 -6.288 0.871 -1.140 325 HZ PHE 47 HZ PHE 47 -8.620 0.612 -1.920 326 H SER 48 H SER 48 -5.610 2.566 -8.043 327 HA SER 48 HA SER 48 -8.055 1.322 -8.177 328 1HB SER 48 2HB SER 48 -6.459 2.934 -10.087 329 2HB SER 48 1HB SER 48 -7.860 2.069 -10.717 330 HG SER 48 HG SER 48 -9.017 3.612 -9.911 331 H ARG 49 H ARG 49 -5.073 0.419 -9.697 332 HA ARG 49 HA ARG 49 -6.336 -1.791 -11.026 333 1HB ARG 49 2HB ARG 49 -3.547 -0.702 -11.168 334 2HB ARG 49 1HB ARG 49 -4.046 -2.162 -12.010 335 1HG ARG 49 2HG ARG 49 -5.952 -0.421 -12.831 336 2HG ARG 49 1HG ARG 49 -4.567 0.656 -12.638 337 1HD ARG 49 2HD ARG 49 -3.993 -1.887 -13.995 338 2HD ARG 49 1HD ARG 49 -5.084 -0.809 -14.864 339 HE ARG 49 HE ARG 49 -2.832 0.623 -13.938 340 1HH1 ARG 49 1HH1 ARG 49 -3.773 -1.712 -16.354 341 2HH1 ARG 49 2HH1 ARG 49 -2.540 -1.237 -17.474 342 1HH2 ARG 49 1HH2 ARG 49 -1.210 1.250 -15.408 343 2HH2 ARG 49 2HH2 ARG 49 -1.084 0.445 -16.937 344 H VAL 50 H VAL 50 -4.572 -1.149 -8.242 345 HA VAL 50 HA VAL 50 -3.460 -3.742 -7.888 346 HB VAL 50 HB VAL 50 -3.486 -1.224 -6.310 347 1HG1 VAL 50 1HG1 VAL 50 -2.135 -3.622 -5.202 348 2HG1 VAL 50 2HG1 VAL 50 -3.821 -3.330 -4.796 349 3HG1 VAL 50 3HG1 VAL 50 -2.592 -2.135 -4.393 350 1HG2 VAL 50 1HG2 VAL 50 -1.508 -1.024 -7.211 351 2HG2 VAL 50 2HG2 VAL 50 -1.792 -2.475 -8.150 352 3HG2 VAL 50 3HG2 VAL 50 -0.981 -2.573 -6.585 353 H PHE 51 H PHE 51 -6.097 -1.900 -6.374 354 HA PHE 51 HA PHE 51 -6.985 -4.396 -5.116 355 1HB PHE 51 2HB PHE 51 -7.630 -1.576 -4.242 356 2HB PHE 51 1HB PHE 51 -8.010 -3.064 -3.381 357 HD1 PHE 51 1HD PHE 51 -6.117 -4.460 -2.492 358 HD2 PHE 51 2HD PHE 51 -5.569 -0.495 -3.942 359 HE1 PHE 51 1HE PHE 51 -3.986 -4.312 -1.278 360 HE2 PHE 51 2HE PHE 51 -3.446 -0.333 -2.704 361 HZ PHE 51 HZ PHE 51 -2.645 -2.250 -1.380 362 H ALA 52 H ALA 52 -7.618 -2.816 -7.793 363 HA ALA 52 HA ALA 52 -9.408 -2.476 -9.147 364 1HB ALA 52 1HB ALA 52 -9.463 -4.975 -8.160 365 2HB ALA 52 2HB ALA 52 -10.562 -4.380 -9.409 366 3HB ALA 52 3HB ALA 52 -11.079 -4.418 -7.720 367 H MET 53 H MET 53 -9.233 -0.818 -6.817 368 HA MET 53 HA MET 53 -12.001 0.031 -6.646 369 1HB MET 53 2HB MET 53 -10.286 -0.835 -4.398 370 2HB MET 53 1HB MET 53 -11.181 0.654 -4.142 371 1HG MET 53 2HG MET 53 -12.832 -0.651 -3.451 372 2HG MET 53 1HG MET 53 -13.097 -1.008 -5.158 373 1HE MET 53 1HE MET 53 -9.830 -2.306 -3.254 374 2HE MET 53 2HE MET 53 -10.548 -3.649 -2.366 375 3HE MET 53 3HE MET 53 -11.053 -1.996 -2.020 376 H SER 54 H SER 54 -12.169 2.333 -5.937 377 HA SER 54 HA SER 54 -10.147 3.885 -7.187 378 1HB SER 54 2HB SER 54 -12.797 4.311 -6.187 379 2HB SER 54 1HB SER 54 -11.726 5.601 -5.660 380 HG SER 54 HG SER 54 -11.060 5.652 -7.963 381 HA PRO 55 HA PRO 55 -7.388 4.669 -3.906 382 1HB PRO 55 2HB PRO 55 -7.529 7.562 -4.552 383 2HB PRO 55 1HB PRO 55 -6.126 6.486 -4.539 384 1HG PRO 55 2HG PRO 55 -7.159 7.294 -6.853 385 2HG PRO 55 1HG PRO 55 -6.612 5.618 -6.655 386 1HD PRO 55 2HD PRO 55 -9.395 6.713 -6.560 387 2HD PRO 55 1HD PRO 55 -8.781 5.257 -7.377 388 H GLU 56 H GLU 56 -9.999 6.935 -4.254 389 HA GLU 56 HA GLU 56 -10.111 7.819 -1.606 390 1HB GLU 56 2HB GLU 56 -12.456 8.479 -2.355 391 2HB GLU 56 1HB GLU 56 -11.112 9.245 -3.171 392 1HG GLU 56 2HG GLU 56 -12.207 6.779 -4.365 393 2HG GLU 56 1HG GLU 56 -13.229 8.210 -4.421 394 H GLU 57 H GLU 57 -11.705 5.296 -3.443 395 HA GLU 57 HA GLU 57 -13.691 4.491 -1.814 396 1HB GLU 57 2HB GLU 57 -11.956 3.200 -3.771 397 2HB GLU 57 1HB GLU 57 -12.644 2.101 -2.601 398 1HG GLU 57 2HG GLU 57 -14.471 4.027 -3.900 399 2HG GLU 57 1HG GLU 57 -13.849 2.700 -4.878 400 H PHE 58 H PHE 58 -10.356 3.733 -1.650 401 HA PHE 58 HA PHE 58 -10.355 2.131 0.648 402 1HB PHE 58 2HB PHE 58 -8.441 2.908 -1.163 403 2HB PHE 58 1HB PHE 58 -7.954 3.780 0.287 404 HD1 PHE 58 1HD PHE 58 -6.163 2.663 1.235 405 HD2 PHE 58 2HD PHE 58 -9.464 0.440 -0.212 406 HE1 PHE 58 1HE PHE 58 -5.162 0.607 2.130 407 HE2 PHE 58 2HE PHE 58 -8.477 -1.626 0.673 408 HZ PHE 58 HZ PHE 58 -6.323 -1.531 1.839 409 H GLY 59 H GLY 59 -9.847 5.612 0.141 410 1HA GLY 59 2HA GLY 59 -9.275 6.341 2.772 411 2HA GLY 59 1HA GLY 59 -10.077 7.377 1.600 412 H LYS 60 H LYS 60 -12.253 5.245 1.424 413 HA LYS 60 HA LYS 60 -13.755 6.219 3.667 414 1HB LYS 60 2HB LYS 60 -14.418 5.434 0.931 415 2HB LYS 60 1HB LYS 60 -15.585 4.910 2.136 416 1HG LYS 60 2HG LYS 60 -16.187 7.063 1.157 417 2HG LYS 60 1HG LYS 60 -15.875 7.197 2.889 418 1HD LYS 60 2HD LYS 60 -14.734 9.026 2.069 419 2HD LYS 60 1HD LYS 60 -13.457 7.807 2.120 420 1HE LYS 60 2HE LYS 60 -13.687 7.386 -0.232 421 2HE LYS 60 1HE LYS 60 -15.108 8.426 -0.325 422 1HZ LYS 60 1HZ LYS 60 -13.537 10.246 0.492 423 2HZ LYS 60 2HZ LYS 60 -13.386 9.742 -1.117 424 3HZ LYS 60 3HZ LYS 60 -12.284 9.200 0.046 425 H LEU 61 H LEU 61 -12.545 3.303 2.318 426 HA LEU 61 HA LEU 61 -14.091 1.364 3.513 427 1HB LEU 61 2HB LEU 61 -11.119 1.338 3.041 428 2HB LEU 61 1HB LEU 61 -12.073 -0.072 3.443 429 HG LEU 61 HG LEU 61 -12.203 1.557 0.916 430 1HD1 LEU 61 1HD1 LEU 61 -11.867 -1.384 1.061 431 2HD1 LEU 61 2HD1 LEU 61 -10.489 -0.359 1.434 432 3HD1 LEU 61 3HD1 LEU 61 -11.275 -0.242 -0.141 433 1HD2 LEU 61 1HD2 LEU 61 -14.158 -0.318 2.120 434 2HD2 LEU 61 2HD2 LEU 61 -13.890 -0.402 0.380 435 3HD2 LEU 61 3HD2 LEU 61 -14.431 1.106 1.118 436 H ALA 62 H ALA 62 -13.010 -0.198 5.203 437 HA ALA 62 HA ALA 62 -12.727 1.377 7.655 438 1HB ALA 62 1HB ALA 62 -13.060 -1.617 7.486 439 2HB ALA 62 2HB ALA 62 -14.427 -0.495 7.443 440 3HB ALA 62 3HB ALA 62 -13.377 -0.549 8.857 441 H LEU 63 H LEU 63 -11.367 -0.313 9.293 442 HA LEU 63 HA LEU 63 -8.686 -0.080 8.233 443 1HB LEU 63 2HB LEU 63 -9.807 0.203 10.769 444 2HB LEU 63 1HB LEU 63 -8.851 -1.263 10.869 445 HG LEU 63 HG LEU 63 -7.516 0.608 11.592 446 1HD1 LEU 63 1HD1 LEU 63 -6.704 -1.242 9.817 447 2HD1 LEU 63 2HD1 LEU 63 -5.638 -0.026 10.520 448 3HD1 LEU 63 3HD1 LEU 63 -6.334 0.230 8.920 449 1HD2 LEU 63 1HD2 LEU 63 -7.558 1.905 8.924 450 2HD2 LEU 63 2HD2 LEU 63 -7.321 2.608 10.525 451 3HD2 LEU 63 3HD2 LEU 63 -8.941 2.166 9.987 452 H TRP 64 H TRP 64 -11.003 -2.478 8.890 453 HA TRP 64 HA TRP 64 -9.207 -4.667 8.852 454 1HB TRP 64 2HB TRP 64 -11.334 -6.025 8.829 455 2HB TRP 64 1HB TRP 64 -11.156 -4.930 10.197 456 HD1 TRP 64 HD TRP 64 -12.745 -2.710 10.192 457 HE1 TRP 64 1HE TRP 64 -15.028 -2.301 9.059 458 HE3 TRP 64 3HE TRP 64 -12.689 -6.500 6.802 459 HZ2 TRP 64 2HZ TRP 64 -16.593 -3.428 7.034 460 HZ3 TRP 64 3HZ TRP 64 -14.620 -6.781 5.293 461 HH2 TRP 64 HH TRP 64 -16.529 -5.259 5.416 462 H LYS 65 H LYS 65 -11.808 -3.576 6.669 463 HA LYS 65 HA LYS 65 -11.247 -5.422 4.656 464 1HB LYS 65 2HB LYS 65 -12.351 -3.610 3.140 465 2HB LYS 65 1HB LYS 65 -13.315 -4.404 4.371 466 1HG LYS 65 2HG LYS 65 -12.937 -2.456 5.841 467 2HG LYS 65 1HG LYS 65 -12.110 -1.662 4.501 468 1HD LYS 65 2HD LYS 65 -14.048 -1.038 3.614 469 2HD LYS 65 1HD LYS 65 -14.638 -2.700 3.617 470 1HE LYS 65 2HE LYS 65 -14.823 -1.986 6.257 471 2HE LYS 65 1HE LYS 65 -15.226 -0.484 5.429 472 1HZ LYS 65 1HZ LYS 65 -16.513 -3.094 4.842 473 2HZ LYS 65 2HZ LYS 65 -16.969 -1.577 4.253 474 3HZ LYS 65 3HZ LYS 65 -17.159 -1.936 5.894 475 H ARG 66 H ARG 66 -9.925 -2.268 5.388 476 HA ARG 66 HA ARG 66 -8.391 -1.896 3.069 477 1HB ARG 66 2HB ARG 66 -8.512 -0.810 5.803 478 2HB ARG 66 1HB ARG 66 -6.929 -0.723 5.057 479 1HG ARG 66 2HG ARG 66 -8.478 0.215 3.048 480 2HG ARG 66 1HG ARG 66 -9.392 0.758 4.455 481 1HD ARG 66 2HD ARG 66 -7.524 2.274 3.452 482 2HD ARG 66 1HD ARG 66 -7.690 2.124 5.200 483 HE ARG 66 HE ARG 66 -5.865 0.232 4.033 484 1HH1 ARG 66 1HH1 ARG 66 -6.209 3.448 5.349 485 2HH1 ARG 66 2HH1 ARG 66 -4.541 3.580 5.796 486 1HH2 ARG 66 1HH2 ARG 66 -3.670 0.403 4.625 487 2HH2 ARG 66 2HH2 ARG 66 -3.099 1.851 5.383 488 H ASN 67 H ASN 67 -7.778 -3.508 6.165 489 HA ASN 67 HA ASN 67 -5.093 -4.160 5.677 490 1HB ASN 67 2HB ASN 67 -7.178 -4.795 7.644 491 2HB ASN 67 1HB ASN 67 -5.975 -6.056 7.430 492 1HD2 ASN 67 1HD2 ASN 67 -6.612 -4.045 9.597 493 2HD2 ASN 67 2HD2 ASN 67 -5.085 -3.321 9.960 494 H GLU 68 H GLU 68 -8.103 -6.048 5.358 495 HA GLU 68 HA GLU 68 -6.925 -8.395 4.471 496 1HB GLU 68 2HB GLU 68 -9.684 -7.287 4.034 497 2HB GLU 68 1HB GLU 68 -9.211 -8.901 3.523 498 1HG GLU 68 2HG GLU 68 -8.501 -8.468 6.275 499 2HG GLU 68 1HG GLU 68 -10.209 -8.122 6.009 500 H LEU 69 H LEU 69 -7.415 -5.463 2.853 501 HA LEU 69 HA LEU 69 -7.208 -6.653 0.201 502 1HB LEU 69 2HB LEU 69 -7.627 -3.822 1.145 503 2HB LEU 69 1HB LEU 69 -7.427 -4.255 -0.548 504 HG LEU 69 HG LEU 69 -9.614 -5.311 1.234 505 1HD1 LEU 69 1HD1 LEU 69 -9.479 -2.960 -0.608 506 2HD1 LEU 69 2HD1 LEU 69 -10.200 -3.085 0.996 507 3HD1 LEU 69 3HD1 LEU 69 -10.998 -3.829 -0.389 508 1HD2 LEU 69 1HD2 LEU 69 -8.587 -6.337 -1.098 509 2HD2 LEU 69 2HD2 LEU 69 -9.974 -5.394 -1.650 510 3HD2 LEU 69 3HD2 LEU 69 -10.192 -6.661 -0.441 511 H LYS 70 H LYS 70 -5.511 -4.180 2.093 512 HA LYS 70 HA LYS 70 -3.428 -3.669 0.396 513 1HB LYS 70 2HB LYS 70 -2.668 -2.409 2.090 514 2HB LYS 70 1HB LYS 70 -4.151 -2.868 2.894 515 1HG LYS 70 2HG LYS 70 -2.626 -4.911 3.671 516 2HG LYS 70 1HG LYS 70 -1.372 -3.694 3.429 517 1HD LYS 70 2HD LYS 70 -3.797 -2.871 4.919 518 2HD LYS 70 1HD LYS 70 -2.676 -3.963 5.736 519 1HE LYS 70 2HE LYS 70 -0.874 -2.416 5.477 520 2HE LYS 70 1HE LYS 70 -1.840 -1.384 4.423 521 1HZ LYS 70 1HZ LYS 70 -1.602 -0.633 6.794 522 2HZ LYS 70 2HZ LYS 70 -2.588 -1.935 7.234 523 3HZ LYS 70 3HZ LYS 70 -3.190 -0.726 6.215 524 H LYS 71 H LYS 71 -3.910 -6.450 2.426 525 HA LYS 71 HA LYS 71 -1.251 -7.415 2.159 526 1HB LYS 71 2HB LYS 71 -2.172 -9.562 3.019 527 2HB LYS 71 1HB LYS 71 -2.555 -8.183 4.041 528 1HG LYS 71 2HG LYS 71 -4.784 -8.086 3.161 529 2HG LYS 71 1HG LYS 71 -4.418 -9.355 1.994 530 1HD LYS 71 2HD LYS 71 -5.529 -10.504 3.684 531 2HD LYS 71 1HD LYS 71 -3.829 -10.777 4.069 532 1HE LYS 71 2HE LYS 71 -4.925 -8.355 5.278 533 2HE LYS 71 1HE LYS 71 -5.736 -9.830 5.802 534 1HZ LYS 71 1HZ LYS 71 -3.543 -10.747 6.366 535 2HZ LYS 71 2HZ LYS 71 -3.902 -9.352 7.254 536 3HZ LYS 71 3HZ LYS 71 -2.824 -9.271 5.955 537 H LYS 72 H LYS 72 -4.136 -7.627 0.327 538 HA LYS 72 HA LYS 72 -3.477 -9.788 -1.301 539 1HB LYS 72 2HB LYS 72 -5.136 -7.380 -2.036 540 2HB LYS 72 1HB LYS 72 -5.138 -8.927 -2.872 541 1HG LYS 72 2HG LYS 72 -5.970 -8.544 -0.008 542 2HG LYS 72 1HG LYS 72 -7.081 -8.588 -1.378 543 1HD LYS 72 2HD LYS 72 -6.768 -10.838 -1.731 544 2HD LYS 72 1HD LYS 72 -5.151 -10.831 -1.024 545 1HE LYS 72 2HE LYS 72 -6.279 -10.381 1.200 546 2HE LYS 72 1HE LYS 72 -7.802 -10.762 0.396 547 1HZ LYS 72 1HZ LYS 72 -7.303 -12.827 1.091 548 2HZ LYS 72 2HZ LYS 72 -5.643 -12.525 1.205 549 3HZ LYS 72 3HZ LYS 72 -6.338 -12.869 -0.298 550 H ALA 73 H ALA 73 -2.634 -6.457 -1.301 551 HA ALA 73 HA ALA 73 -1.205 -6.667 -3.806 552 1HB ALA 73 1HB ALA 73 -1.744 -4.329 -1.998 553 2HB ALA 73 2HB ALA 73 -2.504 -4.682 -3.548 554 3HB ALA 73 3HB ALA 73 -0.799 -4.233 -3.484 555 H SER 74 H SER 74 -0.579 -7.340 -0.611 556 HA SER 74 HA SER 74 1.360 -7.928 0.439 557 1HB SER 74 2HB SER 74 2.163 -8.367 -1.993 558 2HB SER 74 1HB SER 74 3.010 -6.830 -1.824 559 HG SER 74 HG SER 74 3.266 -8.917 0.067 560 H LEU 75 H LEU 75 0.142 -5.084 0.058 561 HA LEU 75 HA LEU 75 2.334 -3.361 0.765 562 1HB LEU 75 2HB LEU 75 -0.639 -2.828 0.853 563 2HB LEU 75 1HB LEU 75 0.631 -1.625 0.949 564 HG LEU 75 HG LEU 75 -0.269 -3.211 -1.429 565 1HD1 LEU 75 1HD1 LEU 75 -0.539 -1.101 -2.458 566 2HD1 LEU 75 2HD1 LEU 75 0.362 -0.282 -1.178 567 3HD1 LEU 75 3HD1 LEU 75 -1.232 -0.955 -0.840 568 1HD2 LEU 75 1HD2 LEU 75 2.005 -3.560 -1.640 569 2HD2 LEU 75 2HD2 LEU 75 2.419 -2.001 -0.925 570 3HD2 LEU 75 3HD2 LEU 75 1.753 -2.073 -2.557 571 H PHE 76 H PHE 76 0.148 -5.417 2.421 572 HA PHE 76 HA PHE 76 -0.139 -4.168 4.878 573 1HB PHE 76 2HB PHE 76 -1.101 -6.423 3.954 574 2HB PHE 76 1HB PHE 76 0.313 -7.125 4.734 575 HD1 PHE 76 1HD PHE 76 -3.013 -6.668 5.182 576 HD2 PHE 76 2HD PHE 76 0.650 -5.920 7.215 577 HE1 PHE 76 1HE PHE 76 -4.204 -6.683 7.329 578 HE2 PHE 76 2HE PHE 76 -0.540 -5.929 9.369 579 HZ PHE 76 HZ PHE 76 -2.973 -6.311 9.426 Start of MODEL 4 1 HA PRO 9 HA PRO 9 0.094 15.819 5.834 2 1HB PRO 9 2HB PRO 9 -0.689 15.937 3.045 3 2HB PRO 9 1HB PRO 9 -1.185 16.975 4.388 4 1HG PRO 9 2HG PRO 9 0.434 17.823 2.369 5 2HG PRO 9 1HG PRO 9 0.492 18.486 4.012 6 1HD PRO 9 2HD PRO 9 2.278 16.439 2.730 7 2HD PRO 9 1HD PRO 9 2.712 17.818 3.758 8 H GLY 10 H GLY 10 1.803 14.440 3.064 9 1HA GLY 10 2HA GLY 10 1.042 11.779 3.898 10 2HA GLY 10 1HA GLY 10 0.338 12.277 2.366 11 H LEU 11 H LEU 11 2.108 10.095 2.710 12 HA LEU 11 HA LEU 11 4.751 10.778 1.992 13 1HB LEU 11 2HB LEU 11 3.532 8.131 1.325 14 2HB LEU 11 1HB LEU 11 5.166 8.494 1.846 15 HG LEU 11 HG LEU 11 3.728 9.262 4.037 16 1HD1 LEU 11 1HD1 LEU 11 2.087 7.402 2.494 17 2HD1 LEU 11 2HD1 LEU 11 1.651 8.463 3.835 18 3HD1 LEU 11 3HD1 LEU 11 2.376 6.887 4.156 19 1HD2 LEU 11 1HD2 LEU 11 5.524 7.170 3.286 20 2HD2 LEU 11 2HD2 LEU 11 4.306 6.523 4.385 21 3HD2 LEU 11 3HD2 LEU 11 5.281 7.913 4.866 22 H GLN 12 H GLN 12 5.799 10.603 -0.025 23 HA GLN 12 HA GLN 12 4.297 11.495 -2.221 24 1HB GLN 12 2HB GLN 12 6.383 12.271 -2.535 25 2HB GLN 12 1HB GLN 12 7.094 11.005 -1.553 26 1HG GLN 12 2HG GLN 12 8.056 10.490 -3.513 27 2HG GLN 12 1HG GLN 12 6.572 9.569 -3.724 28 1HE2 GLN 12 1HE2 GLN 12 5.398 9.957 -5.486 29 2HE2 GLN 12 2HE2 GLN 12 5.581 11.314 -6.537 30 H ILE 13 H ILE 13 3.689 10.462 -4.108 31 HA ILE 13 HA ILE 13 2.937 7.746 -3.880 32 HB ILE 13 HB ILE 13 3.005 9.505 -6.326 33 1HG1 ILE 13 2HG1 ILE 13 1.717 10.291 -4.248 34 2HG1 ILE 13 1HG1 ILE 13 0.852 10.245 -5.776 35 1HG2 ILE 13 1HG2 ILE 13 2.048 6.759 -5.864 36 2HG2 ILE 13 2HG2 ILE 13 2.529 7.568 -7.355 37 3HG2 ILE 13 3HG2 ILE 13 0.921 7.832 -6.691 38 1HD1 ILE 13 1HD1 ILE 13 0.644 7.769 -4.262 39 2HD1 ILE 13 2HD1 ILE 13 -0.614 8.750 -5.015 40 3HD1 ILE 13 3HD1 ILE 13 -0.006 9.173 -3.414 41 H TYR 14 H TYR 14 3.832 5.923 -4.597 42 HA TYR 14 HA TYR 14 6.312 6.106 -6.179 43 1HB TYR 14 2HB TYR 14 5.578 4.095 -4.036 44 2HB TYR 14 1HB TYR 14 7.010 3.993 -5.052 45 HD1 TYR 14 1HD TYR 14 7.217 7.223 -4.856 46 HD2 TYR 14 2HD TYR 14 7.112 3.999 -2.083 47 HE1 TYR 14 1HE TYR 14 8.465 8.584 -3.234 48 HE2 TYR 14 2HE TYR 14 8.356 5.352 -0.453 49 HH TYR 14 HH TYR 14 9.851 7.267 -0.406 50 HA PRO 15 HA PRO 15 4.273 3.484 -9.081 51 1HB PRO 15 2HB PRO 15 6.340 2.300 -10.325 52 2HB PRO 15 1HB PRO 15 6.026 4.033 -10.482 53 1HG PRO 15 2HG PRO 15 8.014 2.617 -8.752 54 2HG PRO 15 1HG PRO 15 8.215 4.097 -9.708 55 1HD PRO 15 2HD PRO 15 7.743 4.070 -7.005 56 2HD PRO 15 1HD PRO 15 7.304 5.417 -8.073 57 H TYR 16 H TYR 16 4.078 2.345 -6.598 58 HA TYR 16 HA TYR 16 3.805 0.379 -5.481 59 1HB TYR 16 2HB TYR 16 2.294 0.039 -7.409 60 2HB TYR 16 1HB TYR 16 3.607 -0.762 -8.261 61 HD1 TYR 16 1HD TYR 16 2.118 -1.029 -4.827 62 HD2 TYR 16 2HD TYR 16 3.355 -3.040 -8.365 63 HE1 TYR 16 1HE TYR 16 1.426 -3.170 -3.838 64 HE2 TYR 16 2HE TYR 16 2.663 -5.189 -7.390 65 HH TYR 16 HH TYR 16 2.163 -5.701 -4.240 66 H GLU 17 H GLU 17 5.517 -0.807 -8.283 67 HA GLU 17 HA GLU 17 6.967 -2.822 -7.194 68 1HB GLU 17 2HB GLU 17 7.463 -0.987 -9.487 69 2HB GLU 17 1HB GLU 17 8.764 -2.059 -8.987 70 1HG GLU 17 2HG GLU 17 7.534 -3.979 -9.489 71 2HG GLU 17 1HG GLU 17 6.008 -3.096 -9.535 72 H MET 18 H MET 18 7.520 0.564 -6.788 73 HA MET 18 HA MET 18 10.216 0.469 -5.982 74 1HB MET 18 2HB MET 18 8.029 2.428 -5.915 75 2HB MET 18 1HB MET 18 9.193 2.610 -4.610 76 1HG MET 18 2HG MET 18 9.913 2.491 -7.527 77 2HG MET 18 1HG MET 18 9.692 3.979 -6.610 78 1HE MET 18 1HE MET 18 12.758 4.417 -4.545 79 2HE MET 18 2HE MET 18 11.238 3.822 -3.881 80 3HE MET 18 3HE MET 18 11.226 5.035 -5.163 81 H LEU 19 H LEU 19 7.348 -0.542 -4.505 82 HA LEU 19 HA LEU 19 8.652 -0.769 -1.875 83 1HB LEU 19 2HB LEU 19 5.697 -0.760 -2.417 84 2HB LEU 19 1HB LEU 19 6.497 -0.592 -0.863 85 HG LEU 19 HG LEU 19 7.162 1.494 -2.830 86 1HD1 LEU 19 1HD1 LEU 19 5.131 2.327 -3.249 87 2HD1 LEU 19 2HD1 LEU 19 4.576 2.033 -1.604 88 3HD1 LEU 19 3HD1 LEU 19 4.524 0.737 -2.795 89 1HD2 LEU 19 1HD2 LEU 19 7.161 1.108 -0.019 90 2HD2 LEU 19 2HD2 LEU 19 6.083 2.457 -0.379 91 3HD2 LEU 19 3HD2 LEU 19 7.755 2.492 -0.937 92 H VAL 20 H VAL 20 6.850 -2.348 -4.404 93 HA VAL 20 HA VAL 20 5.887 -4.632 -3.351 94 HB VAL 20 HB VAL 20 7.384 -4.325 -5.950 95 1HG1 VAL 20 1HG1 VAL 20 5.690 -6.614 -4.966 96 2HG1 VAL 20 2HG1 VAL 20 7.389 -6.666 -5.437 97 3HG1 VAL 20 3HG1 VAL 20 6.145 -6.374 -6.654 98 1HG2 VAL 20 1HG2 VAL 20 4.457 -4.290 -5.250 99 2HG2 VAL 20 2HG2 VAL 20 5.103 -4.242 -6.890 100 3HG2 VAL 20 3HG2 VAL 20 5.435 -2.921 -5.770 101 H VAL 21 H VAL 21 7.005 -5.481 -1.615 102 HA VAL 21 HA VAL 21 9.548 -6.760 -2.251 103 HB VAL 21 HB VAL 21 8.546 -5.839 0.441 104 1HG1 VAL 21 1HG1 VAL 21 10.884 -7.522 -0.354 105 2HG1 VAL 21 2HG1 VAL 21 9.761 -7.726 0.990 106 3HG1 VAL 21 3HG1 VAL 21 10.995 -6.468 1.055 107 1HG2 VAL 21 1HG2 VAL 21 9.758 -4.359 -1.519 108 2HG2 VAL 21 2HG2 VAL 21 11.118 -4.845 -0.509 109 3HG2 VAL 21 3HG2 VAL 21 9.758 -3.977 0.202 110 H THR 22 H THR 22 9.268 -8.865 -2.600 111 HA THR 22 HA THR 22 7.203 -10.280 -1.119 112 HB THR 22 HB THR 22 8.184 -11.865 -3.238 113 HG1 THR 22 1HG THR 22 7.508 -9.228 -4.008 114 1HG2 THR 22 1HG2 THR 22 5.605 -10.357 -3.295 115 2HG2 THR 22 2HG2 THR 22 5.854 -11.755 -2.249 116 3HG2 THR 22 3HG2 THR 22 5.981 -11.929 -4.000 117 H ASN 23 H ASN 23 7.661 -12.521 -0.510 118 HA ASN 23 HA ASN 23 8.886 -14.044 0.655 119 1HB ASN 23 2HB ASN 23 10.938 -13.196 -1.394 120 2HB ASN 23 1HB ASN 23 11.177 -14.540 -0.281 121 1HD2 ASN 23 1HD2 ASN 23 8.979 -15.921 -0.234 122 2HD2 ASN 23 2HD2 ASN 23 8.497 -16.460 -1.804 123 H LYS 24 H LYS 24 10.931 -14.356 1.997 124 HA LYS 24 HA LYS 24 11.145 -12.378 3.901 125 1HB LYS 24 2HB LYS 24 13.245 -13.551 4.614 126 2HB LYS 24 1HB LYS 24 11.844 -14.598 4.427 127 1HG LYS 24 2HG LYS 24 13.276 -14.470 1.953 128 2HG LYS 24 1HG LYS 24 14.386 -14.874 3.262 129 1HD LYS 24 2HD LYS 24 13.668 -16.979 3.002 130 2HD LYS 24 1HD LYS 24 12.196 -16.443 3.815 131 1HE LYS 24 2HE LYS 24 11.010 -16.833 1.979 132 2HE LYS 24 1HE LYS 24 12.033 -15.732 1.058 133 1HZ LYS 24 1HZ LYS 24 13.592 -17.591 0.724 134 2HZ LYS 24 2HZ LYS 24 12.070 -17.892 0.051 135 3HZ LYS 24 3HZ LYS 24 12.509 -18.628 1.508 136 H GLY 25 H GLY 25 12.789 -10.871 4.437 137 1HA GLY 25 2HA GLY 25 15.058 -10.286 2.942 138 2HA GLY 25 1HA GLY 25 13.741 -9.364 2.231 139 H ARG 26 H ARG 26 12.315 -8.831 4.628 140 HA ARG 26 HA ARG 26 12.166 -7.071 6.074 141 1HB ARG 26 2HB ARG 26 14.568 -8.632 6.952 142 2HB ARG 26 1HB ARG 26 14.052 -7.212 7.851 143 1HG ARG 26 2HG ARG 26 12.504 -9.745 7.373 144 2HG ARG 26 1HG ARG 26 13.129 -9.134 8.906 145 1HD ARG 26 2HD ARG 26 11.635 -7.116 8.544 146 2HD ARG 26 1HD ARG 26 10.880 -8.033 7.240 147 HE ARG 26 HE ARG 26 10.857 -9.649 9.498 148 1HH1 ARG 26 1HH1 ARG 26 9.482 -6.608 8.477 149 2HH1 ARG 26 2HH1 ARG 26 8.076 -6.765 9.475 150 1HH2 ARG 26 1HH2 ARG 26 9.009 -9.858 10.812 151 2HH2 ARG 26 2HH2 ARG 26 7.807 -8.610 10.801 152 H THR 27 H THR 27 13.587 -6.475 3.583 153 HA THR 27 HA THR 27 15.830 -4.858 4.117 154 HB THR 27 HB THR 27 15.850 -5.395 1.917 155 HG1 THR 27 1HG THR 27 15.961 -3.167 1.930 156 1HG2 THR 27 1HG2 THR 27 12.871 -5.174 1.962 157 2HG2 THR 27 2HG2 THR 27 13.883 -6.549 1.514 158 3HG2 THR 27 3HG2 THR 27 13.762 -5.155 0.438 159 H LYS 28 H LYS 28 15.969 -2.554 3.718 160 HA LYS 28 HA LYS 28 14.025 -1.152 5.310 161 1HB LYS 28 2HB LYS 28 16.435 -0.118 3.803 162 2HB LYS 28 1HB LYS 28 15.485 0.806 4.960 163 1HG LYS 28 2HG LYS 28 16.437 -1.718 6.046 164 2HG LYS 28 1HG LYS 28 17.743 -0.658 5.514 165 1HD LYS 28 2HD LYS 28 15.760 0.861 6.935 166 2HD LYS 28 1HD LYS 28 16.275 -0.518 7.909 167 1HE LYS 28 2HE LYS 28 18.214 1.347 6.562 168 2HE LYS 28 1HE LYS 28 17.603 1.621 8.194 169 1HZ LYS 28 1HZ LYS 28 18.684 -1.024 7.660 170 2HZ LYS 28 2HZ LYS 28 18.841 -0.046 9.031 171 3HZ LYS 28 3HZ LYS 28 19.808 0.241 7.673 172 H LEU 29 H LEU 29 12.472 0.245 4.656 173 HA LEU 29 HA LEU 29 11.684 0.171 1.913 174 1HB LEU 29 2HB LEU 29 10.436 1.897 4.021 175 2HB LEU 29 1HB LEU 29 9.684 1.207 2.592 176 HG LEU 29 HG LEU 29 10.644 -0.449 4.921 177 1HD1 LEU 29 1HD1 LEU 29 8.512 1.347 4.919 178 2HD1 LEU 29 2HD1 LEU 29 8.800 0.032 6.062 179 3HD1 LEU 29 3HD1 LEU 29 7.781 -0.237 4.647 180 1HD2 LEU 29 1HD2 LEU 29 9.369 -0.992 2.323 181 2HD2 LEU 29 2HD2 LEU 29 8.673 -1.839 3.705 182 3HD2 LEU 29 3HD2 LEU 29 10.387 -2.024 3.329 183 HA PRO 30 HA PRO 30 13.170 3.927 0.149 184 1HB PRO 30 2HB PRO 30 10.328 4.863 0.050 185 2HB PRO 30 1HB PRO 30 11.553 4.861 -1.225 186 1HG PRO 30 2HG PRO 30 9.643 3.026 -1.220 187 2HG PRO 30 1HG PRO 30 11.310 2.582 -1.634 188 1HD PRO 30 2HD PRO 30 9.780 2.078 0.876 189 2HD PRO 30 1HD PRO 30 10.999 1.067 0.075 190 HA PRO 31 HA PRO 31 13.467 7.079 3.221 191 1HB PRO 31 2HB PRO 31 13.306 9.408 1.781 192 2HB PRO 31 1HB PRO 31 14.750 8.393 1.862 193 1HG PRO 31 2HG PRO 31 12.646 8.530 -0.261 194 2HG PRO 31 1HG PRO 31 14.407 8.403 -0.433 195 1HD PRO 31 2HD PRO 31 12.796 6.270 -0.730 196 2HD PRO 31 1HD PRO 31 14.411 6.127 -0.007 197 H GLY 32 H GLY 32 11.505 6.688 4.326 198 1HA GLY 32 2HA GLY 32 9.742 7.862 5.396 199 2HA GLY 32 1HA GLY 32 9.532 8.822 3.940 200 H VAL 33 H VAL 33 9.308 5.416 4.972 201 HA VAL 33 HA VAL 33 6.866 5.204 3.431 202 HB VAL 33 HB VAL 33 8.991 3.161 3.780 203 1HG1 VAL 33 1HG1 VAL 33 6.219 2.830 2.675 204 2HG1 VAL 33 2HG1 VAL 33 6.929 1.980 4.045 205 3HG1 VAL 33 3HG1 VAL 33 7.521 1.670 2.413 206 1HG2 VAL 33 1HG2 VAL 33 8.359 5.062 1.780 207 2HG2 VAL 33 2HG2 VAL 33 8.185 3.441 1.108 208 3HG2 VAL 33 3HG2 VAL 33 9.714 3.937 1.839 209 H ASP 34 H ASP 34 5.251 3.881 4.165 210 HA ASP 34 HA ASP 34 5.308 3.517 7.068 211 1HB ASP 34 2HB ASP 34 3.596 4.940 5.469 212 2HB ASP 34 1HB ASP 34 2.712 3.428 5.694 213 H ARG 35 H ARG 35 6.033 1.436 7.292 214 HA ARG 35 HA ARG 35 5.457 -0.746 5.673 215 1HB ARG 35 2HB ARG 35 6.024 -2.133 7.676 216 2HB ARG 35 1HB ARG 35 7.213 -0.893 7.302 217 1HG ARG 35 2HG ARG 35 6.170 0.541 9.051 218 2HG ARG 35 1HG ARG 35 5.141 -0.826 9.483 219 1HD ARG 35 2HD ARG 35 6.836 -1.148 10.974 220 2HD ARG 35 1HD ARG 35 7.469 -2.073 9.613 221 HE ARG 35 HE ARG 35 9.203 -0.607 9.525 222 1HH1 ARG 35 1HH1 ARG 35 6.513 0.998 11.064 223 2HH1 ARG 35 2HH1 ARG 35 7.407 2.442 11.402 224 1HH2 ARG 35 1HH2 ARG 35 10.380 1.291 9.971 225 2HH2 ARG 35 2HH2 ARG 35 9.603 2.609 10.783 226 H MET 36 H MET 36 3.567 0.749 8.189 227 HA MET 36 HA MET 36 1.632 -1.390 8.194 228 1HB MET 36 2HB MET 36 1.387 1.198 9.697 229 2HB MET 36 1HB MET 36 0.644 -0.351 10.069 230 1HG MET 36 2HG MET 36 3.186 -1.086 10.266 231 2HG MET 36 1HG MET 36 3.382 0.628 10.622 232 1HE MET 36 1HE MET 36 1.007 -2.142 11.040 233 2HE MET 36 2HE MET 36 0.079 -1.664 12.462 234 3HE MET 36 3HE MET 36 1.460 -2.748 12.633 235 H ARG 37 H ARG 37 2.199 1.388 6.405 236 HA ARG 37 HA ARG 37 -0.484 1.280 5.299 237 1HB ARG 37 2HB ARG 37 0.534 3.509 6.919 238 2HB ARG 37 1HB ARG 37 -0.124 3.997 5.363 239 1HG ARG 37 2HG ARG 37 -2.028 4.091 6.575 240 2HG ARG 37 1HG ARG 37 -2.091 2.384 6.134 241 1HD ARG 37 2HD ARG 37 -2.400 2.157 8.370 242 2HD ARG 37 1HD ARG 37 -0.637 2.176 8.355 243 HE ARG 37 HE ARG 37 -1.286 4.790 8.624 244 1HH1 ARG 37 1HH1 ARG 37 -2.209 1.907 10.359 245 2HH1 ARG 37 2HH1 ARG 37 -2.434 2.734 11.864 246 1HH2 ARG 37 1HH2 ARG 37 -1.581 5.879 10.600 247 2HH2 ARG 37 2HH2 ARG 37 -2.078 4.989 12.001 248 H LEU 38 H LEU 38 1.053 0.259 3.720 249 HA LEU 38 HA LEU 38 2.831 1.969 2.278 250 1HB LEU 38 2HB LEU 38 2.138 -0.842 2.371 251 2HB LEU 38 1HB LEU 38 2.285 -0.286 0.723 252 HG LEU 38 HG LEU 38 4.426 -1.011 1.114 253 1HD1 LEU 38 1HD1 LEU 38 4.513 1.808 2.161 254 2HD1 LEU 38 2HD1 LEU 38 4.572 1.328 0.465 255 3HD1 LEU 38 3HD1 LEU 38 5.893 0.894 1.552 256 1HD2 LEU 38 1HD2 LEU 38 3.747 -0.453 3.921 257 2HD2 LEU 38 2HD2 LEU 38 5.448 -0.266 3.496 258 3HD2 LEU 38 3HD2 LEU 38 4.631 -1.803 3.211 259 H GLU 39 H GLU 39 -0.429 0.983 2.026 260 HA GLU 39 HA GLU 39 -1.071 1.375 -0.627 261 1HB GLU 39 2HB GLU 39 -3.333 1.715 0.062 262 2HB GLU 39 1HB GLU 39 -2.614 0.564 1.178 263 1HG GLU 39 2HG GLU 39 -2.985 3.503 1.711 264 2HG GLU 39 1HG GLU 39 -4.033 2.215 2.305 265 H ARG 40 H ARG 40 -0.293 3.735 1.795 266 HA ARG 40 HA ARG 40 -1.358 5.985 0.466 267 1HB ARG 40 2HB ARG 40 0.834 5.847 2.533 268 2HB ARG 40 1HB ARG 40 -0.013 7.309 2.042 269 1HG ARG 40 2HG ARG 40 -1.965 5.400 2.795 270 2HG ARG 40 1HG ARG 40 -0.721 5.421 4.045 271 1HD ARG 40 2HD ARG 40 -1.430 8.094 3.158 272 2HD ARG 40 1HD ARG 40 -2.824 7.206 3.771 273 HE ARG 40 HE ARG 40 -0.748 6.851 5.587 274 1HH1 ARG 40 1HH1 ARG 40 -2.711 9.460 4.356 275 2HH1 ARG 40 2HH1 ARG 40 -2.608 10.392 5.812 276 1HH2 ARG 40 1HH2 ARG 40 -0.612 8.075 7.504 277 2HH2 ARG 40 2HH2 ARG 40 -1.417 9.605 7.599 278 H HIS 41 H HIS 41 1.177 4.033 -0.368 279 HA HIS 41 HA HIS 41 2.731 6.184 -1.608 280 1HB HIS 41 2HB HIS 41 3.307 3.274 -1.100 281 2HB HIS 41 1HB HIS 41 4.322 4.260 -2.147 282 HD1 HIS 41 1HD HIS 41 5.683 6.183 -0.988 283 HD2 HIS 41 2HD HIS 41 3.668 3.653 1.608 284 HE1 HIS 41 1HE HIS 41 6.660 6.629 1.287 285 HE2 HIS 41 2HE HIS 41 5.231 5.274 2.854 286 H LEU 42 H LEU 42 0.709 3.424 -2.360 287 HA LEU 42 HA LEU 42 1.291 3.074 -5.046 288 1HB LEU 42 2HB LEU 42 -0.905 2.470 -3.206 289 2HB LEU 42 1HB LEU 42 -1.389 2.609 -4.874 290 HG LEU 42 HG LEU 42 0.320 0.553 -3.569 291 1HD1 LEU 42 1HD1 LEU 42 -2.072 0.749 -5.301 292 2HD1 LEU 42 2HD1 LEU 42 -1.763 -0.295 -3.909 293 3HD1 LEU 42 3HD1 LEU 42 -1.054 -0.684 -5.476 294 1HD2 LEU 42 1HD2 LEU 42 0.746 1.684 -6.282 295 2HD2 LEU 42 2HD2 LEU 42 0.782 -0.071 -6.116 296 3HD2 LEU 42 3HD2 LEU 42 1.895 0.926 -5.178 297 H SER 43 H SER 43 0.745 4.096 -6.867 298 HA SER 43 HA SER 43 -0.369 6.722 -6.710 299 1HB SER 43 2HB SER 43 1.159 5.304 -8.587 300 2HB SER 43 1HB SER 43 -0.369 5.694 -9.375 301 HG SER 43 HG SER 43 1.622 7.283 -9.159 302 H ALA 44 H ALA 44 -2.230 7.342 -8.083 303 HA ALA 44 HA ALA 44 -4.506 5.887 -7.337 304 1HB ALA 44 1HB ALA 44 -4.306 7.884 -9.584 305 2HB ALA 44 2HB ALA 44 -4.478 8.318 -7.882 306 3HB ALA 44 3HB ALA 44 -5.764 7.429 -8.700 307 H GLU 45 H GLU 45 -2.517 5.839 -10.180 308 HA GLU 45 HA GLU 45 -4.250 4.267 -11.750 309 1HB GLU 45 2HB GLU 45 -1.276 4.646 -12.067 310 2HB GLU 45 1HB GLU 45 -2.403 4.101 -13.303 311 1HG GLU 45 2HG GLU 45 -3.429 6.537 -12.474 312 2HG GLU 45 1HG GLU 45 -1.684 6.783 -12.505 313 H ASP 46 H ASP 46 -2.011 3.658 -9.221 314 HA ASP 46 HA ASP 46 -1.754 0.896 -9.964 315 1HB ASP 46 2HB ASP 46 -0.448 2.513 -7.794 316 2HB ASP 46 1HB ASP 46 -0.290 0.758 -7.886 317 H PHE 47 H PHE 47 -3.044 2.845 -7.273 318 HA PHE 47 HA PHE 47 -3.905 0.675 -5.740 319 1HB PHE 47 2HB PHE 47 -3.917 2.942 -4.837 320 2HB PHE 47 1HB PHE 47 -5.166 3.405 -5.993 321 HD1 PHE 47 1HD PHE 47 -7.407 2.281 -5.859 322 HD2 PHE 47 2HD PHE 47 -4.471 1.943 -2.801 323 HE1 PHE 47 1HE PHE 47 -9.140 1.529 -4.288 324 HE2 PHE 47 2HE PHE 47 -6.193 1.187 -1.227 325 HZ PHE 47 HZ PHE 47 -8.539 0.980 -1.972 326 H SER 48 H SER 48 -5.660 2.611 -8.021 327 HA SER 48 HA SER 48 -8.044 1.243 -8.069 328 1HB SER 48 2HB SER 48 -7.375 3.461 -9.235 329 2HB SER 48 1HB SER 48 -6.935 2.419 -10.587 330 HG SER 48 HG SER 48 -9.092 1.617 -10.543 331 H ARG 49 H ARG 49 -5.072 0.461 -9.641 332 HA ARG 49 HA ARG 49 -6.304 -1.688 -11.094 333 1HB ARG 49 2HB ARG 49 -3.786 -0.209 -11.311 334 2HB ARG 49 1HB ARG 49 -3.667 -1.922 -11.684 335 1HG ARG 49 2HG ARG 49 -5.102 -1.759 -13.500 336 2HG ARG 49 1HG ARG 49 -5.793 -0.235 -12.941 337 1HD ARG 49 2HD ARG 49 -4.295 0.060 -14.874 338 2HD ARG 49 1HD ARG 49 -3.733 0.926 -13.445 339 HE ARG 49 HE ARG 49 -2.413 -1.432 -13.300 340 1HH1 ARG 49 1HH1 ARG 49 -2.763 0.966 -15.812 341 2HH1 ARG 49 2HH1 ARG 49 -1.210 0.645 -16.508 342 1HH2 ARG 49 1HH2 ARG 49 -0.369 -1.856 -14.216 343 2HH2 ARG 49 2HH2 ARG 49 0.148 -0.957 -15.604 344 H VAL 50 H VAL 50 -4.562 -1.152 -8.269 345 HA VAL 50 HA VAL 50 -3.528 -3.800 -7.994 346 HB VAL 50 HB VAL 50 -3.402 -1.309 -6.372 347 1HG1 VAL 50 1HG1 VAL 50 -2.063 -3.695 -5.279 348 2HG1 VAL 50 2HG1 VAL 50 -3.783 -3.541 -4.956 349 3HG1 VAL 50 3HG1 VAL 50 -2.670 -2.274 -4.451 350 1HG2 VAL 50 1HG2 VAL 50 -1.468 -1.181 -7.381 351 2HG2 VAL 50 2HG2 VAL 50 -1.762 -2.692 -8.217 352 3HG2 VAL 50 3HG2 VAL 50 -0.946 -2.686 -6.651 353 H PHE 51 H PHE 51 -6.012 -1.835 -6.388 354 HA PHE 51 HA PHE 51 -6.975 -4.272 -5.084 355 1HB PHE 51 2HB PHE 51 -7.551 -1.405 -4.327 356 2HB PHE 51 1HB PHE 51 -7.985 -2.843 -3.409 357 HD1 PHE 51 1HD PHE 51 -6.141 -4.272 -2.469 358 HD2 PHE 51 2HD PHE 51 -5.461 -0.378 -4.046 359 HE1 PHE 51 1HE PHE 51 -4.008 -4.155 -1.255 360 HE2 PHE 51 2HE PHE 51 -3.334 -0.247 -2.816 361 HZ PHE 51 HZ PHE 51 -2.597 -2.143 -1.424 362 H ALA 52 H ALA 52 -7.607 -2.593 -7.770 363 HA ALA 52 HA ALA 52 -9.399 -2.265 -9.123 364 1HB ALA 52 1HB ALA 52 -9.394 -4.796 -8.262 365 2HB ALA 52 2HB ALA 52 -10.552 -4.169 -9.441 366 3HB ALA 52 3HB ALA 52 -11.007 -4.303 -7.738 367 H MET 53 H MET 53 -9.280 -0.549 -6.939 368 HA MET 53 HA MET 53 -12.064 0.180 -6.696 369 1HB MET 53 2HB MET 53 -10.370 -0.716 -4.446 370 2HB MET 53 1HB MET 53 -11.303 0.744 -4.161 371 1HG MET 53 2HG MET 53 -12.915 -0.646 -3.525 372 2HG MET 53 1HG MET 53 -13.180 -0.888 -5.250 373 1HE MET 53 1HE MET 53 -9.872 -2.333 -3.478 374 2HE MET 53 2HE MET 53 -10.625 -3.676 -2.616 375 3HE MET 53 3HE MET 53 -11.078 -2.017 -2.228 376 H SER 54 H SER 54 -12.304 2.437 -5.868 377 HA SER 54 HA SER 54 -10.329 4.113 -7.057 378 1HB SER 54 2HB SER 54 -11.781 5.969 -6.213 379 2HB SER 54 1HB SER 54 -12.652 4.783 -7.185 380 HG SER 54 HG SER 54 -13.821 5.251 -5.314 381 HA PRO 55 HA PRO 55 -7.406 4.512 -3.770 382 1HB PRO 55 2HB PRO 55 -7.315 7.364 -4.061 383 2HB PRO 55 1HB PRO 55 -6.146 6.181 -4.652 384 1HG PRO 55 2HG PRO 55 -8.404 7.477 -6.078 385 2HG PRO 55 1HG PRO 55 -6.873 6.861 -6.722 386 1HD PRO 55 2HD PRO 55 -9.161 5.581 -7.153 387 2HD PRO 55 1HD PRO 55 -7.666 4.675 -6.816 388 H GLU 56 H GLU 56 -10.091 6.680 -4.087 389 HA GLU 56 HA GLU 56 -10.225 7.586 -1.447 390 1HB GLU 56 2HB GLU 56 -12.578 8.180 -2.180 391 2HB GLU 56 1HB GLU 56 -11.271 8.937 -3.064 392 1HG GLU 56 2HG GLU 56 -11.966 6.489 -4.331 393 2HG GLU 56 1HG GLU 56 -13.439 7.405 -4.034 394 H GLU 57 H GLU 57 -11.882 5.036 -3.243 395 HA GLU 57 HA GLU 57 -13.776 4.226 -1.529 396 1HB GLU 57 2HB GLU 57 -12.128 2.915 -3.552 397 2HB GLU 57 1HB GLU 57 -12.785 1.831 -2.353 398 1HG GLU 57 2HG GLU 57 -14.537 3.792 -3.764 399 2HG GLU 57 1HG GLU 57 -14.110 2.251 -4.510 400 H PHE 58 H PHE 58 -10.419 3.594 -1.440 401 HA PHE 58 HA PHE 58 -10.339 1.934 0.832 402 1HB PHE 58 2HB PHE 58 -8.485 2.824 -1.026 403 2HB PHE 58 1HB PHE 58 -7.959 3.579 0.472 404 HD1 PHE 58 1HD PHE 58 -9.462 0.261 -0.277 405 HD2 PHE 58 2HD PHE 58 -6.170 2.409 1.321 406 HE1 PHE 58 1HE PHE 58 -8.427 -1.853 0.418 407 HE2 PHE 58 2HE PHE 58 -5.126 0.305 2.019 408 HZ PHE 58 HZ PHE 58 -6.259 -1.820 1.563 409 H GLY 59 H GLY 59 -9.822 5.417 0.330 410 1HA GLY 59 2HA GLY 59 -9.239 6.103 2.980 411 2HA GLY 59 1HA GLY 59 -9.978 7.178 1.802 412 H LYS 60 H LYS 60 -12.221 5.059 1.623 413 HA LYS 60 HA LYS 60 -13.712 6.117 3.838 414 1HB LYS 60 2HB LYS 60 -14.811 6.651 1.844 415 2HB LYS 60 1HB LYS 60 -14.508 5.061 1.164 416 1HG LYS 60 2HG LYS 60 -16.209 5.208 3.588 417 2HG LYS 60 1HG LYS 60 -16.888 5.800 2.072 418 1HD LYS 60 2HD LYS 60 -15.765 3.049 2.598 419 2HD LYS 60 1HD LYS 60 -17.461 3.470 2.359 420 1HE LYS 60 2HE LYS 60 -16.664 4.400 0.083 421 2HE LYS 60 1HE LYS 60 -15.225 3.420 0.365 422 1HZ LYS 60 1HZ LYS 60 -16.369 1.498 0.094 423 2HZ LYS 60 2HZ LYS 60 -17.340 2.483 -0.879 424 3HZ LYS 60 3HZ LYS 60 -17.820 2.122 0.702 425 H LEU 61 H LEU 61 -12.633 3.152 2.477 426 HA LEU 61 HA LEU 61 -14.292 1.304 3.687 427 1HB LEU 61 2HB LEU 61 -11.380 1.180 2.973 428 2HB LEU 61 1HB LEU 61 -12.217 -0.194 3.651 429 HG LEU 61 HG LEU 61 -13.194 1.147 1.149 430 1HD1 LEU 61 1HD1 LEU 61 -11.630 -1.330 0.902 431 2HD1 LEU 61 2HD1 LEU 61 -10.708 0.120 1.281 432 3HD1 LEU 61 3HD1 LEU 61 -11.717 0.070 -0.166 433 1HD2 LEU 61 1HD2 LEU 61 -13.592 -1.561 2.397 434 2HD2 LEU 61 2HD2 LEU 61 -14.118 -1.143 0.767 435 3HD2 LEU 61 3HD2 LEU 61 -14.799 -0.298 2.158 436 H ALA 62 H ALA 62 -13.041 -0.370 5.323 437 HA ALA 62 HA ALA 62 -12.714 1.188 7.783 438 1HB ALA 62 1HB ALA 62 -13.032 -1.805 7.581 439 2HB ALA 62 2HB ALA 62 -14.409 -0.696 7.590 440 3HB ALA 62 3HB ALA 62 -13.321 -0.756 8.975 441 H LEU 63 H LEU 63 -11.303 -0.564 9.333 442 HA LEU 63 HA LEU 63 -8.655 -0.336 8.163 443 1HB LEU 63 2HB LEU 63 -9.670 -0.021 10.753 444 2HB LEU 63 1HB LEU 63 -8.693 -1.476 10.815 445 HG LEU 63 HG LEU 63 -7.385 0.473 11.455 446 1HD1 LEU 63 1HD1 LEU 63 -6.608 -1.485 9.760 447 2HD1 LEU 63 2HD1 LEU 63 -5.527 -0.259 10.423 448 3HD1 LEU 63 3HD1 LEU 63 -6.213 -0.051 8.811 449 1HD2 LEU 63 1HD2 LEU 63 -8.751 2.056 10.021 450 2HD2 LEU 63 2HD2 LEU 63 -7.752 1.529 8.665 451 3HD2 LEU 63 3HD2 LEU 63 -7.007 2.327 10.051 452 H TRP 64 H TRP 64 -10.991 -2.676 8.924 453 HA TRP 64 HA TRP 64 -9.237 -4.903 8.852 454 1HB TRP 64 2HB TRP 64 -11.396 -6.216 8.948 455 2HB TRP 64 1HB TRP 64 -11.118 -5.117 10.296 456 HD1 TRP 64 HD TRP 64 -12.639 -2.839 10.337 457 HE1 TRP 64 1HE TRP 64 -14.967 -2.380 9.323 458 HE3 TRP 64 3HE TRP 64 -12.898 -6.707 7.042 459 HZ2 TRP 64 2HZ TRP 64 -16.684 -3.504 7.425 460 HZ3 TRP 64 3HZ TRP 64 -14.922 -6.961 5.658 461 HH2 TRP 64 HH TRP 64 -16.774 -5.376 5.855 462 H LYS 65 H LYS 65 -11.948 -3.824 6.796 463 HA LYS 65 HA LYS 65 -11.523 -5.684 4.772 464 1HB LYS 65 2HB LYS 65 -12.667 -3.869 3.301 465 2HB LYS 65 1HB LYS 65 -13.580 -4.610 4.602 466 1HG LYS 65 2HG LYS 65 -12.425 -2.413 5.793 467 2HG LYS 65 1HG LYS 65 -12.833 -1.858 4.172 468 1HD LYS 65 2HD LYS 65 -15.021 -3.389 5.099 469 2HD LYS 65 1HD LYS 65 -14.566 -2.295 6.401 470 1HE LYS 65 2HE LYS 65 -15.750 -0.736 5.341 471 2HE LYS 65 1HE LYS 65 -14.464 -0.708 4.137 472 1HZ LYS 65 1HZ LYS 65 -16.478 -1.032 2.982 473 2HZ LYS 65 2HZ LYS 65 -16.996 -2.242 4.044 474 3HZ LYS 65 3HZ LYS 65 -15.706 -2.538 2.990 475 H ARG 66 H ARG 66 -10.152 -2.505 5.340 476 HA ARG 66 HA ARG 66 -8.716 -2.267 2.935 477 1HB ARG 66 2HB ARG 66 -8.731 -1.007 5.603 478 2HB ARG 66 1HB ARG 66 -7.212 -0.914 4.742 479 1HG ARG 66 2HG ARG 66 -8.741 -0.094 2.770 480 2HG ARG 66 1HG ARG 66 -9.845 0.306 4.085 481 1HD ARG 66 2HD ARG 66 -8.194 2.107 3.274 482 2HD ARG 66 1HD ARG 66 -8.380 1.856 5.010 483 HE ARG 66 HE ARG 66 -6.272 0.277 3.930 484 1HH1 ARG 66 1HH1 ARG 66 -7.086 3.505 4.976 485 2HH1 ARG 66 2HH1 ARG 66 -5.454 3.920 5.381 486 1HH2 ARG 66 1HH2 ARG 66 -4.127 0.819 4.466 487 2HH2 ARG 66 2HH2 ARG 66 -3.774 2.395 5.091 488 H ASN 67 H ASN 67 -7.999 -3.706 6.093 489 HA ASN 67 HA ASN 67 -5.310 -4.296 5.631 490 1HB ASN 67 2HB ASN 67 -7.402 -5.020 7.563 491 2HB ASN 67 1HB ASN 67 -6.151 -6.235 7.358 492 1HD2 ASN 67 1HD2 ASN 67 -6.705 -4.641 9.681 493 2HD2 ASN 67 2HD2 ASN 67 -5.283 -3.716 10.009 494 H GLU 68 H GLU 68 -8.285 -6.158 5.081 495 HA GLU 68 HA GLU 68 -7.010 -8.490 4.210 496 1HB GLU 68 2HB GLU 68 -9.770 -7.574 3.441 497 2HB GLU 68 1HB GLU 68 -9.172 -9.227 3.462 498 1HG GLU 68 2HG GLU 68 -8.994 -7.802 6.022 499 2HG GLU 68 1HG GLU 68 -10.628 -8.102 5.433 500 H LEU 69 H LEU 69 -7.637 -5.518 2.702 501 HA LEU 69 HA LEU 69 -7.331 -6.553 0.005 502 1HB LEU 69 2HB LEU 69 -7.800 -3.787 1.106 503 2HB LEU 69 1HB LEU 69 -7.544 -4.106 -0.604 504 HG LEU 69 HG LEU 69 -9.797 -5.205 1.071 505 1HD1 LEU 69 1HD1 LEU 69 -9.572 -2.906 -0.825 506 2HD1 LEU 69 2HD1 LEU 69 -10.368 -2.989 0.746 507 3HD1 LEU 69 3HD1 LEU 69 -11.101 -3.770 -0.654 508 1HD2 LEU 69 1HD2 LEU 69 -8.652 -6.187 -1.291 509 2HD2 LEU 69 2HD2 LEU 69 -10.160 -5.401 -1.765 510 3HD2 LEU 69 3HD2 LEU 69 -10.174 -6.676 -0.545 511 H LYS 70 H LYS 70 -5.686 -4.160 2.059 512 HA LYS 70 HA LYS 70 -3.549 -3.599 0.433 513 1HB LYS 70 2HB LYS 70 -2.825 -2.412 2.196 514 2HB LYS 70 1HB LYS 70 -4.343 -2.873 2.931 515 1HG LYS 70 2HG LYS 70 -3.024 -4.926 3.796 516 2HG LYS 70 1HG LYS 70 -1.606 -3.941 3.433 517 1HD LYS 70 2HD LYS 70 -3.883 -2.895 5.090 518 2HD LYS 70 1HD LYS 70 -2.554 -3.809 5.805 519 1HE LYS 70 2HE LYS 70 -1.110 -2.098 5.616 520 2HE LYS 70 1HE LYS 70 -1.714 -1.637 4.024 521 1HZ LYS 70 1HZ LYS 70 -2.568 -0.738 6.670 522 2HZ LYS 70 2HZ LYS 70 -3.756 -0.864 5.472 523 3HZ LYS 70 3HZ LYS 70 -2.413 0.136 5.229 524 H LYS 71 H LYS 71 -4.124 -6.415 2.394 525 HA LYS 71 HA LYS 71 -1.495 -7.434 2.227 526 1HB LYS 71 2HB LYS 71 -3.979 -8.236 3.416 527 2HB LYS 71 1HB LYS 71 -3.285 -9.595 2.543 528 1HG LYS 71 2HG LYS 71 -1.262 -9.461 3.818 529 2HG LYS 71 1HG LYS 71 -1.800 -7.972 4.594 530 1HD LYS 71 2HD LYS 71 -3.026 -10.712 4.888 531 2HD LYS 71 1HD LYS 71 -2.115 -9.825 6.111 532 1HE LYS 71 2HE LYS 71 -4.052 -8.027 5.500 533 2HE LYS 71 1HE LYS 71 -4.915 -9.545 5.258 534 1HZ LYS 71 1HZ LYS 71 -3.331 -9.225 7.701 535 2HZ LYS 71 2HZ LYS 71 -4.759 -10.094 7.450 536 3HZ LYS 71 3HZ LYS 71 -4.809 -8.410 7.598 537 H LYS 72 H LYS 72 -4.265 -7.548 0.206 538 HA LYS 72 HA LYS 72 -3.467 -9.679 -1.422 539 1HB LYS 72 2HB LYS 72 -5.596 -7.721 -1.412 540 2HB LYS 72 1HB LYS 72 -4.983 -7.986 -3.039 541 1HG LYS 72 2HG LYS 72 -6.078 -9.900 -3.193 542 2HG LYS 72 1HG LYS 72 -5.319 -10.502 -1.719 543 1HD LYS 72 2HD LYS 72 -7.319 -8.566 -1.038 544 2HD LYS 72 1HD LYS 72 -8.017 -9.776 -2.117 545 1HE LYS 72 2HE LYS 72 -7.051 -11.537 -0.621 546 2HE LYS 72 1HE LYS 72 -6.602 -10.253 0.500 547 1HZ LYS 72 1HZ LYS 72 -9.374 -10.269 -0.371 548 2HZ LYS 72 2HZ LYS 72 -8.720 -9.969 1.161 549 3HZ LYS 72 3HZ LYS 72 -8.908 -11.561 0.619 550 H ALA 73 H ALA 73 -2.704 -6.350 -1.260 551 HA ALA 73 HA ALA 73 -1.212 -6.428 -3.739 552 1HB ALA 73 1HB ALA 73 -2.738 -4.535 -3.268 553 2HB ALA 73 2HB ALA 73 -1.073 -4.043 -3.576 554 3HB ALA 73 3HB ALA 73 -1.692 -4.082 -1.925 555 H SER 74 H SER 74 -0.717 -6.996 -0.461 556 HA SER 74 HA SER 74 1.186 -7.503 0.688 557 1HB SER 74 2HB SER 74 2.045 -7.833 -1.864 558 2HB SER 74 1HB SER 74 3.098 -6.519 -1.341 559 HG SER 74 HG SER 74 3.880 -7.796 0.284 560 H LEU 75 H LEU 75 -0.096 -4.782 0.356 561 HA LEU 75 HA LEU 75 2.126 -3.032 1.078 562 1HB LEU 75 2HB LEU 75 -0.791 -2.337 0.745 563 2HB LEU 75 1HB LEU 75 0.550 -1.214 0.851 564 HG LEU 75 HG LEU 75 -0.171 -3.034 -1.429 565 1HD1 LEU 75 1HD1 LEU 75 -0.415 -1.071 -2.680 566 2HD1 LEU 75 2HD1 LEU 75 0.440 -0.098 -1.483 567 3HD1 LEU 75 3HD1 LEU 75 -1.174 -0.712 -1.129 568 1HD2 LEU 75 1HD2 LEU 75 2.090 -3.371 -1.480 569 2HD2 LEU 75 2HD2 LEU 75 2.455 -1.813 -0.740 570 3HD2 LEU 75 3HD2 LEU 75 1.962 -1.893 -2.432 571 H PHE 76 H PHE 76 0.781 -5.238 2.758 572 HA PHE 76 HA PHE 76 -0.319 -3.790 4.972 573 1HB PHE 76 2HB PHE 76 -0.998 -6.143 4.156 574 2HB PHE 76 1HB PHE 76 0.437 -6.697 5.014 575 HD1 PHE 76 1HD PHE 76 0.571 -5.537 7.497 576 HD2 PHE 76 2HD PHE 76 -2.957 -6.416 5.285 577 HE1 PHE 76 1HE PHE 76 -0.719 -5.617 9.590 578 HE2 PHE 76 2HE PHE 76 -4.250 -6.500 7.372 579 HZ PHE 76 HZ PHE 76 -3.136 -6.097 9.528 Start of MODEL 5 1 HA PRO 9 HA PRO 9 -0.180 15.738 2.738 2 1HB PRO 9 2HB PRO 9 0.926 15.093 5.266 3 2HB PRO 9 1HB PRO 9 1.035 16.633 4.403 4 1HG PRO 9 2HG PRO 9 -0.854 15.789 6.534 5 2HG PRO 9 1HG PRO 9 -0.200 17.398 6.179 6 1HD PRO 9 2HD PRO 9 -2.728 16.795 5.577 7 2HD PRO 9 1HD PRO 9 -1.750 17.788 4.478 8 H GLY 10 H GLY 10 1.354 13.947 2.638 9 1HA GLY 10 2HA GLY 10 0.869 11.455 3.894 10 2HA GLY 10 1HA GLY 10 0.140 11.465 2.295 11 H LEU 11 H LEU 11 2.007 9.616 2.679 12 HA LEU 11 HA LEU 11 4.649 10.462 2.139 13 1HB LEU 11 2HB LEU 11 3.719 7.729 1.400 14 2HB LEU 11 1HB LEU 11 5.235 8.231 2.125 15 HG LEU 11 HG LEU 11 3.229 8.844 4.013 16 1HD1 LEU 11 1HD1 LEU 11 2.178 6.921 2.373 17 2HD1 LEU 11 2HD1 LEU 11 1.714 7.208 4.050 18 3HD1 LEU 11 3HD1 LEU 11 2.907 5.968 3.664 19 1HD2 LEU 11 1HD2 LEU 11 5.717 7.756 3.990 20 2HD2 LEU 11 2HD2 LEU 11 4.730 6.356 4.406 21 3HD2 LEU 11 3HD2 LEU 11 4.658 7.812 5.398 22 H GLN 12 H GLN 12 5.821 10.432 0.218 23 HA GLN 12 HA GLN 12 4.497 11.264 -2.077 24 1HB GLN 12 2HB GLN 12 7.162 11.012 -1.239 25 2HB GLN 12 1HB GLN 12 7.050 10.094 -2.732 26 1HG GLN 12 2HG GLN 12 6.412 12.997 -2.307 27 2HG GLN 12 1HG GLN 12 7.695 12.302 -3.295 28 1HE2 GLN 12 1HE2 GLN 12 6.177 10.272 -4.527 29 2HE2 GLN 12 2HE2 GLN 12 5.052 11.016 -5.607 30 H ILE 13 H ILE 13 3.770 10.306 -3.876 31 HA ILE 13 HA ILE 13 3.094 7.560 -3.842 32 HB ILE 13 HB ILE 13 3.047 9.514 -6.137 33 1HG1 ILE 13 2HG1 ILE 13 1.818 10.134 -3.979 34 2HG1 ILE 13 1HG1 ILE 13 0.887 10.155 -5.469 35 1HG2 ILE 13 1HG2 ILE 13 2.105 6.730 -5.845 36 2HG2 ILE 13 2HG2 ILE 13 2.595 7.630 -7.281 37 3HG2 ILE 13 3HG2 ILE 13 0.987 7.863 -6.603 38 1HD1 ILE 13 1HD1 ILE 13 0.785 7.578 -4.183 39 2HD1 ILE 13 2HD1 ILE 13 -0.530 8.636 -4.693 40 3HD1 ILE 13 3HD1 ILE 13 0.228 8.868 -3.117 41 H TYR 14 H TYR 14 3.986 5.829 -4.794 42 HA TYR 14 HA TYR 14 6.324 6.213 -6.542 43 1HB TYR 14 2HB TYR 14 6.047 3.942 -4.574 44 2HB TYR 14 1HB TYR 14 7.458 4.362 -5.530 45 HD1 TYR 14 1HD TYR 14 7.396 7.359 -5.007 46 HD2 TYR 14 2HD TYR 14 7.007 4.011 -2.422 47 HE1 TYR 14 1HE TYR 14 8.280 8.698 -3.143 48 HE2 TYR 14 2HE TYR 14 7.872 5.329 -0.553 49 HH TYR 14 HH TYR 14 9.562 7.679 -0.587 50 HA PRO 15 HA PRO 15 4.235 3.399 -9.210 51 1HB PRO 15 2HB PRO 15 6.216 2.137 -10.506 52 2HB PRO 15 1HB PRO 15 5.927 3.869 -10.708 53 1HG PRO 15 2HG PRO 15 7.974 2.474 -9.036 54 2HG PRO 15 1HG PRO 15 8.149 3.924 -10.040 55 1HD PRO 15 2HD PRO 15 7.800 3.963 -7.314 56 2HD PRO 15 1HD PRO 15 7.361 5.300 -8.392 57 H TYR 16 H TYR 16 4.141 2.344 -6.672 58 HA TYR 16 HA TYR 16 3.826 0.398 -5.515 59 1HB TYR 16 2HB TYR 16 2.329 0.046 -7.465 60 2HB TYR 16 1HB TYR 16 3.634 -0.795 -8.279 61 HD1 TYR 16 1HD TYR 16 3.352 -3.067 -8.357 62 HD2 TYR 16 2HD TYR 16 2.027 -0.994 -4.886 63 HE1 TYR 16 1HE TYR 16 2.552 -5.185 -7.402 64 HE2 TYR 16 2HE TYR 16 1.228 -3.108 -3.918 65 HH TYR 16 HH TYR 16 2.005 -6.164 -5.295 66 H GLU 17 H GLU 17 5.513 -0.895 -8.288 67 HA GLU 17 HA GLU 17 6.957 -2.871 -7.118 68 1HB GLU 17 2HB GLU 17 8.514 -2.734 -8.990 69 2HB GLU 17 1HB GLU 17 6.858 -2.517 -9.540 70 1HG GLU 17 2HG GLU 17 7.588 0.050 -9.115 71 2HG GLU 17 1HG GLU 17 9.129 -0.661 -9.591 72 H MET 18 H MET 18 7.593 0.534 -6.979 73 HA MET 18 HA MET 18 10.285 0.457 -6.198 74 1HB MET 18 2HB MET 18 8.098 2.431 -6.111 75 2HB MET 18 1HB MET 18 9.362 2.668 -4.911 76 1HG MET 18 2HG MET 18 9.764 2.473 -7.888 77 2HG MET 18 1HG MET 18 9.793 3.952 -6.930 78 1HE MET 18 1HE MET 18 12.941 2.538 -8.679 79 2HE MET 18 2HE MET 18 13.196 4.084 -7.870 80 3HE MET 18 3HE MET 18 11.680 3.771 -8.716 81 H LEU 19 H LEU 19 7.334 -0.113 -4.513 82 HA LEU 19 HA LEU 19 8.717 -0.328 -1.934 83 1HB LEU 19 2HB LEU 19 5.765 -0.272 -2.527 84 2HB LEU 19 1HB LEU 19 6.518 -0.157 -0.944 85 HG LEU 19 HG LEU 19 7.572 1.926 -2.576 86 1HD1 LEU 19 1HD1 LEU 19 4.562 1.771 -2.593 87 2HD1 LEU 19 2HD1 LEU 19 5.628 1.721 -3.992 88 3HD1 LEU 19 3HD1 LEU 19 5.509 3.187 -3.027 89 1HD2 LEU 19 1HD2 LEU 19 6.939 1.562 -0.001 90 2HD2 LEU 19 2HD2 LEU 19 5.560 2.539 -0.510 91 3HD2 LEU 19 3HD2 LEU 19 7.202 3.149 -0.719 92 H VAL 20 H VAL 20 6.983 -2.072 -4.378 93 HA VAL 20 HA VAL 20 6.328 -4.384 -2.876 94 HB VAL 20 HB VAL 20 6.774 -4.324 -5.846 95 1HG1 VAL 20 1HG1 VAL 20 6.261 -6.476 -5.417 96 2HG1 VAL 20 2HG1 VAL 20 4.615 -5.850 -5.451 97 3HG1 VAL 20 3HG1 VAL 20 5.434 -6.103 -3.909 98 1HG2 VAL 20 1HG2 VAL 20 5.095 -2.585 -4.474 99 2HG2 VAL 20 2HG2 VAL 20 4.042 -3.883 -5.016 100 3HG2 VAL 20 3HG2 VAL 20 5.016 -2.998 -6.186 101 H VAL 21 H VAL 21 7.631 -5.873 -2.103 102 HA VAL 21 HA VAL 21 10.347 -6.084 -3.031 103 HB VAL 21 HB VAL 21 8.984 -7.630 -0.830 104 1HG1 VAL 21 1HG1 VAL 21 11.810 -7.387 -1.761 105 2HG1 VAL 21 2HG1 VAL 21 10.898 -8.828 -1.312 106 3HG1 VAL 21 3HG1 VAL 21 11.465 -7.718 -0.064 107 1HG2 VAL 21 1HG2 VAL 21 9.336 -4.946 -0.826 108 2HG2 VAL 21 2HG2 VAL 21 10.869 -5.482 -0.139 109 3HG2 VAL 21 3HG2 VAL 21 9.350 -5.950 0.624 110 H THR 22 H THR 22 10.898 -7.449 -4.616 111 HA THR 22 HA THR 22 9.458 -9.962 -4.860 112 HB THR 22 HB THR 22 10.421 -9.088 -7.399 113 HG1 THR 22 1HG THR 22 8.642 -7.330 -6.077 114 1HG2 THR 22 1HG2 THR 22 7.577 -9.030 -7.216 115 2HG2 THR 22 2HG2 THR 22 8.204 -10.449 -6.377 116 3HG2 THR 22 3HG2 THR 22 8.618 -10.168 -8.068 117 H ASN 23 H ASN 23 12.085 -9.224 -3.647 118 HA ASN 23 HA ASN 23 13.549 -11.452 -4.451 119 1HB ASN 23 2HB ASN 23 13.826 -9.833 -6.464 120 2HB ASN 23 1HB ASN 23 14.932 -8.965 -5.404 121 1HD2 ASN 23 1HD2 ASN 23 14.289 -12.395 -6.058 122 2HD2 ASN 23 2HD2 ASN 23 15.931 -12.812 -6.398 123 H LYS 24 H LYS 24 12.757 -10.087 -2.055 124 HA LYS 24 HA LYS 24 14.977 -10.459 -0.459 125 1HB LYS 24 2HB LYS 24 15.601 -8.153 0.162 126 2HB LYS 24 1HB LYS 24 15.959 -8.500 -1.520 127 1HG LYS 24 2HG LYS 24 13.432 -7.114 -0.691 128 2HG LYS 24 1HG LYS 24 14.937 -6.241 -0.975 129 1HD LYS 24 2HD LYS 24 14.991 -7.394 -3.246 130 2HD LYS 24 1HD LYS 24 13.315 -7.845 -2.932 131 1HE LYS 24 2HE LYS 24 12.627 -5.579 -2.837 132 2HE LYS 24 1HE LYS 24 14.295 -5.006 -2.790 133 1HZ LYS 24 1HZ LYS 24 12.942 -6.313 -5.088 134 2HZ LYS 24 2HZ LYS 24 14.578 -5.889 -5.053 135 3HZ LYS 24 3HZ LYS 24 13.392 -4.685 -4.975 136 H GLY 25 H GLY 25 14.515 -8.563 1.599 137 1HA GLY 25 2HA GLY 25 11.781 -8.207 2.188 138 2HA GLY 25 1HA GLY 25 12.324 -9.719 2.899 139 H ARG 26 H ARG 26 14.936 -8.957 3.617 140 HA ARG 26 HA ARG 26 14.361 -7.548 6.022 141 1HB ARG 26 2HB ARG 26 16.932 -8.667 4.922 142 2HB ARG 26 1HB ARG 26 16.789 -7.922 6.508 143 1HG ARG 26 2HG ARG 26 16.359 -9.970 7.262 144 2HG ARG 26 1HG ARG 26 14.768 -9.785 6.522 145 1HD ARG 26 2HD ARG 26 16.374 -10.563 4.415 146 2HD ARG 26 1HD ARG 26 16.993 -11.505 5.770 147 HE ARG 26 HE ARG 26 14.129 -11.559 5.538 148 1HH1 ARG 26 1HH1 ARG 26 17.113 -13.030 4.481 149 2HH1 ARG 26 2HH1 ARG 26 16.370 -14.540 4.076 150 1HH2 ARG 26 1HH2 ARG 26 13.150 -13.545 5.006 151 2HH2 ARG 26 2HH2 ARG 26 14.120 -14.832 4.371 152 H THR 27 H THR 27 14.867 -6.385 3.032 153 HA THR 27 HA THR 27 16.802 -4.381 3.441 154 HB THR 27 HB THR 27 16.493 -4.691 1.209 155 HG1 THR 27 1HG THR 27 16.277 -2.504 1.490 156 1HG2 THR 27 1HG2 THR 27 14.657 -6.132 1.050 157 2HG2 THR 27 2HG2 THR 27 14.200 -4.705 0.120 158 3HG2 THR 27 3HG2 THR 27 13.558 -4.941 1.745 159 H LYS 28 H LYS 28 16.401 -2.078 3.356 160 HA LYS 28 HA LYS 28 14.397 -1.344 5.333 161 1HB LYS 28 2HB LYS 28 15.529 0.925 5.155 162 2HB LYS 28 1HB LYS 28 16.519 -0.395 5.763 163 1HG LYS 28 2HG LYS 28 16.695 -0.122 2.880 164 2HG LYS 28 1HG LYS 28 17.177 1.346 3.733 165 1HD LYS 28 2HD LYS 28 18.712 -0.003 5.119 166 2HD LYS 28 1HD LYS 28 18.265 -1.432 4.184 167 1HE LYS 28 2HE LYS 28 18.994 -0.057 2.136 168 2HE LYS 28 1HE LYS 28 19.792 0.996 3.304 169 1HZ LYS 28 1HZ LYS 28 21.362 -0.537 3.744 170 2HZ LYS 28 2HZ LYS 28 20.960 -1.117 2.208 171 3HZ LYS 28 3HZ LYS 28 20.308 -1.851 3.585 172 H LEU 29 H LEU 29 12.888 0.367 5.021 173 HA LEU 29 HA LEU 29 11.730 0.361 2.412 174 1HB LEU 29 2HB LEU 29 10.970 1.467 5.075 175 2HB LEU 29 1HB LEU 29 10.155 2.065 3.639 176 HG LEU 29 HG LEU 29 10.160 -0.756 4.701 177 1HD1 LEU 29 1HD1 LEU 29 8.334 1.527 4.779 178 2HD1 LEU 29 2HD1 LEU 29 8.417 0.099 5.812 179 3HD1 LEU 29 3HD1 LEU 29 7.582 0.017 4.261 180 1HD2 LEU 29 1HD2 LEU 29 8.419 -0.832 2.650 181 2HD2 LEU 29 2HD2 LEU 29 10.104 -1.336 2.519 182 3HD2 LEU 29 3HD2 LEU 29 9.622 0.276 1.990 183 HA PRO 30 HA PRO 30 13.265 4.083 0.631 184 1HB PRO 30 2HB PRO 30 10.459 4.974 0.233 185 2HB PRO 30 1HB PRO 30 11.752 4.765 -0.952 186 1HG PRO 30 2HG PRO 30 9.744 3.019 -0.798 187 2HG PRO 30 1HG PRO 30 11.401 2.482 -1.130 188 1HD PRO 30 2HD PRO 30 9.829 2.330 1.408 189 2HD PRO 30 1HD PRO 30 10.971 1.160 0.716 190 HA PRO 31 HA PRO 31 13.282 7.364 3.570 191 1HB PRO 31 2HB PRO 31 12.934 9.308 1.358 192 2HB PRO 31 1HB PRO 31 14.230 9.182 2.551 193 1HG PRO 31 2HG PRO 31 14.625 8.456 0.014 194 2HG PRO 31 1HG PRO 31 15.356 7.551 1.353 195 1HD PRO 31 2HD PRO 31 12.968 6.872 -0.316 196 2HD PRO 31 1HD PRO 31 14.247 5.810 0.308 197 H GLY 32 H GLY 32 11.342 7.133 4.655 198 1HA GLY 32 2HA GLY 32 9.430 8.212 5.478 199 2HA GLY 32 1HA GLY 32 9.321 9.117 3.976 200 H VAL 33 H VAL 33 9.017 5.780 5.178 201 HA VAL 33 HA VAL 33 6.686 5.476 3.494 202 HB VAL 33 HB VAL 33 8.836 3.463 3.876 203 1HG1 VAL 33 1HG1 VAL 33 6.128 3.170 2.614 204 2HG1 VAL 33 2HG1 VAL 33 6.791 2.246 3.958 205 3HG1 VAL 33 3HG1 VAL 33 7.451 2.040 2.336 206 1HG2 VAL 33 1HG2 VAL 33 8.306 5.439 1.913 207 2HG2 VAL 33 2HG2 VAL 33 8.213 3.842 1.172 208 3HG2 VAL 33 3HG2 VAL 33 9.676 4.339 2.025 209 H ASP 34 H ASP 34 5.103 4.069 4.146 210 HA ASP 34 HA ASP 34 5.091 3.596 7.037 211 1HB ASP 34 2HB ASP 34 3.404 5.087 5.489 212 2HB ASP 34 1HB ASP 34 2.536 3.553 5.582 213 H ARG 35 H ARG 35 5.848 1.522 7.160 214 HA ARG 35 HA ARG 35 5.451 -0.599 5.467 215 1HB ARG 35 2HB ARG 35 6.700 -0.292 7.843 216 2HB ARG 35 1HB ARG 35 5.320 -1.258 8.349 217 1HG ARG 35 2HG ARG 35 6.095 -3.112 7.362 218 2HG ARG 35 1HG ARG 35 6.676 -2.239 5.943 219 1HD ARG 35 2HD ARG 35 8.454 -3.329 7.356 220 2HD ARG 35 1HD ARG 35 8.679 -1.610 7.036 221 HE ARG 35 HE ARG 35 7.318 -1.786 9.435 222 1HH1 ARG 35 1HH1 ARG 35 10.401 -2.819 8.165 223 2HH1 ARG 35 2HH1 ARG 35 11.202 -2.732 9.698 224 1HH2 ARG 35 1HH2 ARG 35 8.372 -1.669 11.452 225 2HH2 ARG 35 2HH2 ARG 35 10.050 -2.079 11.563 226 H MET 36 H MET 36 3.357 0.429 8.137 227 HA MET 36 HA MET 36 1.414 -1.599 7.504 228 1HB MET 36 2HB MET 36 1.702 0.435 9.675 229 2HB MET 36 1HB MET 36 0.152 -0.352 9.409 230 1HG MET 36 2HG MET 36 0.881 -2.362 10.166 231 2HG MET 36 1HG MET 36 2.538 -2.089 9.629 232 1HE MET 36 1HE MET 36 4.057 -0.173 10.790 233 2HE MET 36 2HE MET 36 4.401 -1.810 11.349 234 3HE MET 36 3HE MET 36 4.311 -0.482 12.508 235 H ARG 37 H ARG 37 2.114 1.091 5.963 236 HA ARG 37 HA ARG 37 -0.615 1.498 5.077 237 1HB ARG 37 2HB ARG 37 0.482 3.245 6.968 238 2HB ARG 37 1HB ARG 37 0.625 4.095 5.437 239 1HG ARG 37 2HG ARG 37 -1.449 4.782 6.021 240 2HG ARG 37 1HG ARG 37 -1.893 3.288 5.195 241 1HD ARG 37 2HD ARG 37 -3.063 3.015 7.137 242 2HD ARG 37 1HD ARG 37 -1.536 2.265 7.603 243 HE ARG 37 HE ARG 37 -1.179 3.978 9.084 244 1HH1 ARG 37 1HH1 ARG 37 -3.764 4.868 6.915 245 2HH1 ARG 37 2HH1 ARG 37 -4.205 6.278 7.819 246 1HH2 ARG 37 1HH2 ARG 37 -1.758 5.831 10.274 247 2HH2 ARG 37 2HH2 ARG 37 -3.068 6.824 9.726 248 H LEU 38 H LEU 38 1.298 0.246 3.692 249 HA LEU 38 HA LEU 38 2.934 1.860 2.081 250 1HB LEU 38 2HB LEU 38 2.138 -0.926 2.276 251 2HB LEU 38 1HB LEU 38 2.335 -0.426 0.617 252 HG LEU 38 HG LEU 38 4.426 -1.274 1.136 253 1HD1 LEU 38 1HD1 LEU 38 4.587 1.649 1.818 254 2HD1 LEU 38 2HD1 LEU 38 4.712 0.932 0.213 255 3HD1 LEU 38 3HD1 LEU 38 5.964 0.627 1.416 256 1HD2 LEU 38 1HD2 LEU 38 3.786 -0.320 3.858 257 2HD2 LEU 38 2HD2 LEU 38 5.491 -0.352 3.408 258 3HD2 LEU 38 3HD2 LEU 38 4.529 -1.829 3.325 259 H GLU 39 H GLU 39 -0.347 0.895 1.889 260 HA GLU 39 HA GLU 39 -0.984 1.255 -0.777 261 1HB GLU 39 2HB GLU 39 -3.257 2.114 0.248 262 2HB GLU 39 1HB GLU 39 -2.772 0.431 0.396 263 1HG GLU 39 2HG GLU 39 -1.874 2.203 2.564 264 2HG GLU 39 1HG GLU 39 -3.616 1.952 2.448 265 H ARG 40 H ARG 40 -0.316 3.639 1.668 266 HA ARG 40 HA ARG 40 -1.418 5.849 0.313 267 1HB ARG 40 2HB ARG 40 0.439 5.498 2.610 268 2HB ARG 40 1HB ARG 40 0.340 7.082 1.852 269 1HG ARG 40 2HG ARG 40 -2.149 5.663 2.696 270 2HG ARG 40 1HG ARG 40 -1.173 6.542 3.875 271 1HD ARG 40 2HD ARG 40 -1.994 8.490 3.186 272 2HD ARG 40 1HD ARG 40 -1.555 8.138 1.516 273 HE ARG 40 HE ARG 40 -3.952 6.817 2.416 274 1HH1 ARG 40 1HH1 ARG 40 -2.626 9.701 0.962 275 2HH1 ARG 40 2HH1 ARG 40 -4.115 10.151 0.202 276 1HH2 ARG 40 1HH2 ARG 40 -5.911 7.410 1.417 277 2HH2 ARG 40 2HH2 ARG 40 -5.979 8.852 0.459 278 H HIS 41 H HIS 41 1.250 3.985 -0.399 279 HA HIS 41 HA HIS 41 2.718 6.161 -1.680 280 1HB HIS 41 2HB HIS 41 3.386 3.266 -1.183 281 2HB HIS 41 1HB HIS 41 4.372 4.309 -2.202 282 HD1 HIS 41 1HD HIS 41 5.496 6.388 -0.984 283 HD2 HIS 41 2HD HIS 41 3.815 3.529 1.504 284 HE1 HIS 41 1HE HIS 41 6.455 6.830 1.298 285 HE2 HIS 41 2HE HIS 41 5.185 5.274 2.810 286 H LEU 42 H LEU 42 0.678 3.443 -2.418 287 HA LEU 42 HA LEU 42 1.298 3.074 -5.109 288 1HB LEU 42 2HB LEU 42 -0.883 2.436 -3.263 289 2HB LEU 42 1HB LEU 42 -1.380 2.583 -4.928 290 HG LEU 42 HG LEU 42 0.393 0.551 -3.660 291 1HD1 LEU 42 1HD1 LEU 42 -2.038 0.687 -5.363 292 2HD1 LEU 42 2HD1 LEU 42 -1.730 -0.272 -3.910 293 3HD1 LEU 42 3HD1 LEU 42 -1.019 -0.752 -5.450 294 1HD2 LEU 42 1HD2 LEU 42 0.722 1.718 -6.361 295 2HD2 LEU 42 2HD2 LEU 42 0.736 -0.040 -6.255 296 3HD2 LEU 42 3HD2 LEU 42 1.898 0.908 -5.326 297 H SER 43 H SER 43 0.849 4.212 -6.883 298 HA SER 43 HA SER 43 -0.337 6.782 -6.681 299 1HB SER 43 2HB SER 43 1.155 5.384 -8.620 300 2HB SER 43 1HB SER 43 -0.373 5.855 -9.365 301 HG SER 43 HG SER 43 0.313 7.825 -9.421 302 H ALA 44 H ALA 44 -2.234 7.425 -7.926 303 HA ALA 44 HA ALA 44 -4.480 5.937 -7.195 304 1HB ALA 44 1HB ALA 44 -4.350 7.968 -9.415 305 2HB ALA 44 2HB ALA 44 -4.470 8.379 -7.703 306 3HB ALA 44 3HB ALA 44 -5.778 7.496 -8.493 307 H GLU 45 H GLU 45 -2.567 5.935 -10.093 308 HA GLU 45 HA GLU 45 -4.350 4.397 -11.639 309 1HB GLU 45 2HB GLU 45 -1.384 4.796 -12.018 310 2HB GLU 45 1HB GLU 45 -2.520 4.221 -13.231 311 1HG GLU 45 2HG GLU 45 -3.697 6.525 -12.705 312 2HG GLU 45 1HG GLU 45 -2.067 6.964 -12.197 313 H ASP 46 H ASP 46 -2.052 3.728 -9.178 314 HA ASP 46 HA ASP 46 -1.814 0.985 -9.983 315 1HB ASP 46 2HB ASP 46 -0.482 2.556 -7.798 316 2HB ASP 46 1HB ASP 46 -0.337 0.801 -7.913 317 H PHE 47 H PHE 47 -3.078 2.855 -7.216 318 HA PHE 47 HA PHE 47 -3.916 0.627 -5.753 319 1HB PHE 47 2HB PHE 47 -3.913 2.858 -4.760 320 2HB PHE 47 1HB PHE 47 -5.182 3.364 -5.877 321 HD1 PHE 47 1HD PHE 47 -4.441 1.790 -2.750 322 HD2 PHE 47 2HD PHE 47 -7.413 2.218 -5.760 323 HE1 PHE 47 1HE PHE 47 -6.139 0.962 -1.185 324 HE2 PHE 47 2HE PHE 47 -9.125 1.404 -4.197 325 HZ PHE 47 HZ PHE 47 -8.493 0.772 -1.913 326 H SER 48 H SER 48 -5.662 2.623 -7.991 327 HA SER 48 HA SER 48 -8.070 1.303 -8.054 328 1HB SER 48 2HB SER 48 -8.421 2.301 -10.276 329 2HB SER 48 1HB SER 48 -7.732 3.465 -9.143 330 HG SER 48 HG SER 48 -6.288 3.711 -10.652 331 H ARG 49 H ARG 49 -5.114 0.494 -9.651 332 HA ARG 49 HA ARG 49 -6.371 -1.662 -11.071 333 1HB ARG 49 2HB ARG 49 -3.608 -0.512 -11.179 334 2HB ARG 49 1HB ARG 49 -4.040 -1.991 -12.027 335 1HG ARG 49 2HG ARG 49 -5.852 -0.670 -13.173 336 2HG ARG 49 1HG ARG 49 -5.116 0.777 -12.482 337 1HD ARG 49 2HD ARG 49 -3.421 -1.153 -14.003 338 2HD ARG 49 1HD ARG 49 -4.459 -0.033 -14.882 339 HE ARG 49 HE ARG 49 -2.812 1.217 -12.880 340 1HH1 ARG 49 1HH1 ARG 49 -2.991 0.163 -16.202 341 2HH1 ARG 49 2HH1 ARG 49 -1.772 1.264 -16.748 342 1HH2 ARG 49 1HH2 ARG 49 -1.210 2.667 -13.596 343 2HH2 ARG 49 2HH2 ARG 49 -0.760 2.686 -15.269 344 H VAL 50 H VAL 50 -4.600 -1.118 -8.265 345 HA VAL 50 HA VAL 50 -3.532 -3.749 -8.006 346 HB VAL 50 HB VAL 50 -3.435 -1.260 -6.383 347 1HG1 VAL 50 1HG1 VAL 50 -2.113 -3.679 -5.311 348 2HG1 VAL 50 2HG1 VAL 50 -3.810 -3.430 -4.924 349 3HG1 VAL 50 3HG1 VAL 50 -2.611 -2.218 -4.478 350 1HG2 VAL 50 1HG2 VAL 50 -1.490 -1.119 -7.367 351 2HG2 VAL 50 2HG2 VAL 50 -1.801 -2.603 -8.244 352 3HG2 VAL 50 3HG2 VAL 50 -0.974 -2.648 -6.685 353 H PHE 51 H PHE 51 -6.070 -1.852 -6.385 354 HA PHE 51 HA PHE 51 -6.999 -4.339 -5.143 355 1HB PHE 51 2HB PHE 51 -7.606 -1.505 -4.281 356 2HB PHE 51 1HB PHE 51 -8.023 -2.981 -3.417 357 HD1 PHE 51 1HD PHE 51 -6.224 -4.359 -2.405 358 HD2 PHE 51 2HD PHE 51 -5.470 -0.509 -4.066 359 HE1 PHE 51 1HE PHE 51 -4.097 -4.249 -1.179 360 HE2 PHE 51 2HE PHE 51 -3.348 -0.388 -2.825 361 HZ PHE 51 HZ PHE 51 -2.651 -2.264 -1.386 362 H ALA 52 H ALA 52 -7.625 -2.627 -7.793 363 HA ALA 52 HA ALA 52 -9.420 -2.249 -9.131 364 1HB ALA 52 1HB ALA 52 -9.442 -4.795 -8.308 365 2HB ALA 52 2HB ALA 52 -10.591 -4.136 -9.478 366 3HB ALA 52 3HB ALA 52 -11.049 -4.289 -7.777 367 H MET 53 H MET 53 -9.248 -0.672 -6.775 368 HA MET 53 HA MET 53 -12.036 0.087 -6.483 369 1HB MET 53 2HB MET 53 -10.262 -0.879 -4.369 370 2HB MET 53 1HB MET 53 -10.969 0.686 -4.007 371 1HG MET 53 2HG MET 53 -13.108 -0.139 -3.935 372 2HG MET 53 1HG MET 53 -12.718 -1.537 -4.938 373 1HE MET 53 1HE MET 53 -9.938 -2.450 -3.403 374 2HE MET 53 2HE MET 53 -11.161 -3.530 -4.080 375 3HE MET 53 3HE MET 53 -10.642 -3.729 -2.410 376 H SER 54 H SER 54 -12.276 2.366 -5.793 377 HA SER 54 HA SER 54 -10.331 4.019 -7.054 378 1HB SER 54 2HB SER 54 -11.740 5.897 -6.115 379 2HB SER 54 1HB SER 54 -12.620 4.754 -7.128 380 HG SER 54 HG SER 54 -13.891 4.592 -5.467 381 HA PRO 55 HA PRO 55 -7.455 4.679 -3.845 382 1HB PRO 55 2HB PRO 55 -7.693 7.574 -4.522 383 2HB PRO 55 1HB PRO 55 -6.244 6.567 -4.414 384 1HG PRO 55 2HG PRO 55 -7.203 7.233 -6.798 385 2HG PRO 55 1HG PRO 55 -6.619 5.585 -6.507 386 1HD PRO 55 2HD PRO 55 -9.421 6.601 -6.633 387 2HD PRO 55 1HD PRO 55 -8.730 5.094 -7.277 388 H GLU 56 H GLU 56 -10.193 6.777 -4.119 389 HA GLU 56 HA GLU 56 -10.260 7.708 -1.480 390 1HB GLU 56 2HB GLU 56 -12.660 8.236 -2.180 391 2HB GLU 56 1HB GLU 56 -11.371 9.062 -3.026 392 1HG GLU 56 2HG GLU 56 -12.269 6.537 -4.221 393 2HG GLU 56 1HG GLU 56 -13.468 7.826 -4.197 394 H GLU 57 H GLU 57 -11.840 5.101 -3.240 395 HA GLU 57 HA GLU 57 -13.718 4.260 -1.512 396 1HB GLU 57 2HB GLU 57 -12.049 2.985 -3.537 397 2HB GLU 57 1HB GLU 57 -12.656 1.886 -2.324 398 1HG GLU 57 2HG GLU 57 -14.519 3.775 -3.675 399 2HG GLU 57 1HG GLU 57 -14.003 2.304 -4.499 400 H PHE 58 H PHE 58 -10.353 3.660 -1.466 401 HA PHE 58 HA PHE 58 -10.220 2.054 0.835 402 1HB PHE 58 2HB PHE 58 -8.420 2.869 -1.083 403 2HB PHE 58 1HB PHE 58 -7.867 3.724 0.353 404 HD1 PHE 58 1HD PHE 58 -9.331 0.351 -0.174 405 HD2 PHE 58 2HD PHE 58 -6.049 2.633 1.237 406 HE1 PHE 58 1HE PHE 58 -8.255 -1.706 0.630 407 HE2 PHE 58 2HE PHE 58 -4.964 0.590 2.046 408 HZ PHE 58 HZ PHE 58 -6.069 -1.575 1.736 409 H GLY 59 H GLY 59 -9.791 5.538 0.266 410 1HA GLY 59 2HA GLY 59 -9.127 6.262 2.893 411 2HA GLY 59 1HA GLY 59 -9.896 7.317 1.717 412 H LYS 60 H LYS 60 -12.128 5.160 1.647 413 HA LYS 60 HA LYS 60 -13.556 6.249 3.893 414 1HB LYS 60 2HB LYS 60 -14.254 5.821 1.167 415 2HB LYS 60 1HB LYS 60 -15.351 4.901 2.188 416 1HG LYS 60 2HG LYS 60 -16.503 6.828 2.206 417 2HG LYS 60 1HG LYS 60 -15.371 7.250 3.492 418 1HD LYS 60 2HD LYS 60 -15.010 7.913 0.570 419 2HD LYS 60 1HD LYS 60 -15.599 9.033 1.800 420 1HE LYS 60 2HE LYS 60 -13.491 9.588 2.231 421 2HE LYS 60 1HE LYS 60 -13.219 7.948 2.817 422 1HZ LYS 60 1HZ LYS 60 -11.764 8.904 0.917 423 2HZ LYS 60 2HZ LYS 60 -13.074 8.492 -0.069 424 3HZ LYS 60 3HZ LYS 60 -12.290 7.298 0.838 425 H LEU 61 H LEU 61 -12.484 3.291 2.545 426 HA LEU 61 HA LEU 61 -14.155 1.450 3.765 427 1HB LEU 61 2HB LEU 61 -11.266 1.321 2.980 428 2HB LEU 61 1HB LEU 61 -12.069 -0.048 3.707 429 HG LEU 61 HG LEU 61 -13.123 1.260 1.217 430 1HD1 LEU 61 1HD1 LEU 61 -11.587 -1.245 1.000 431 2HD1 LEU 61 2HD1 LEU 61 -10.654 0.223 1.267 432 3HD1 LEU 61 3HD1 LEU 61 -11.727 0.100 -0.128 433 1HD2 LEU 61 1HD2 LEU 61 -13.659 -1.247 2.736 434 2HD2 LEU 61 2HD2 LEU 61 -13.906 -1.223 0.991 435 3HD2 LEU 61 3HD2 LEU 61 -14.790 -0.098 2.024 436 H ALA 62 H ALA 62 -12.848 -0.229 5.378 437 HA ALA 62 HA ALA 62 -12.485 1.341 7.828 438 1HB ALA 62 1HB ALA 62 -12.884 -1.643 7.672 439 2HB ALA 62 2HB ALA 62 -14.235 -0.504 7.653 440 3HB ALA 62 3HB ALA 62 -13.153 -0.562 9.044 441 H LEU 63 H LEU 63 -11.086 -0.380 9.393 442 HA LEU 63 HA LEU 63 -8.460 -0.274 8.161 443 1HB LEU 63 2HB LEU 63 -9.459 0.026 10.808 444 2HB LEU 63 1HB LEU 63 -8.335 -1.319 10.803 445 HG LEU 63 HG LEU 63 -7.179 0.723 11.390 446 1HD1 LEU 63 1HD1 LEU 63 -6.338 -1.084 9.564 447 2HD1 LEU 63 2HD1 LEU 63 -5.340 0.224 10.199 448 3HD1 LEU 63 3HD1 LEU 63 -6.164 0.414 8.651 449 1HD2 LEU 63 1HD2 LEU 63 -8.589 1.755 8.995 450 2HD2 LEU 63 2HD2 LEU 63 -6.966 2.367 9.313 451 3HD2 LEU 63 3HD2 LEU 63 -8.229 2.546 10.530 452 H TRP 64 H TRP 64 -10.855 -2.518 9.024 453 HA TRP 64 HA TRP 64 -9.167 -4.795 8.995 454 1HB TRP 64 2HB TRP 64 -11.364 -6.042 9.153 455 2HB TRP 64 1HB TRP 64 -11.028 -4.923 10.470 456 HD1 TRP 64 HD TRP 64 -12.467 -2.579 10.461 457 HE1 TRP 64 1HE TRP 64 -14.806 -2.081 9.491 458 HE3 TRP 64 3HE TRP 64 -12.930 -6.555 7.325 459 HZ2 TRP 64 2HZ TRP 64 -16.610 -3.226 7.683 460 HZ3 TRP 64 3HZ TRP 64 -14.999 -6.800 6.005 461 HH2 TRP 64 HH TRP 64 -16.797 -5.152 6.188 462 H LYS 65 H LYS 65 -11.872 -3.690 6.944 463 HA LYS 65 HA LYS 65 -11.530 -5.611 4.961 464 1HB LYS 65 2HB LYS 65 -12.642 -3.853 3.451 465 2HB LYS 65 1HB LYS 65 -13.548 -4.412 4.845 466 1HG LYS 65 2HG LYS 65 -12.299 -2.258 5.884 467 2HG LYS 65 1HG LYS 65 -12.491 -1.764 4.205 468 1HD LYS 65 2HD LYS 65 -14.613 -2.512 6.190 469 2HD LYS 65 1HD LYS 65 -14.450 -1.019 5.274 470 1HE LYS 65 2HE LYS 65 -14.645 -2.896 3.293 471 2HE LYS 65 1HE LYS 65 -15.709 -3.555 4.535 472 1HZ LYS 65 1HZ LYS 65 -16.991 -1.577 4.535 473 2HZ LYS 65 2HZ LYS 65 -16.797 -2.028 2.916 474 3HZ LYS 65 3HZ LYS 65 -15.878 -0.760 3.556 475 H ARG 66 H ARG 66 -10.073 -2.445 5.419 476 HA ARG 66 HA ARG 66 -8.638 -2.292 3.024 477 1HB ARG 66 2HB ARG 66 -8.503 -1.059 5.716 478 2HB ARG 66 1HB ARG 66 -7.051 -0.979 4.742 479 1HG ARG 66 2HG ARG 66 -8.699 -0.108 2.899 480 2HG ARG 66 1HG ARG 66 -9.712 0.278 4.288 481 1HD ARG 66 2HD ARG 66 -8.046 2.050 3.351 482 2HD ARG 66 1HD ARG 66 -8.244 1.856 5.091 483 HE ARG 66 HE ARG 66 -6.136 0.247 3.989 484 1HH1 ARG 66 1HH1 ARG 66 -6.963 3.409 5.220 485 2HH1 ARG 66 2HH1 ARG 66 -5.348 3.777 5.723 486 1HH2 ARG 66 1HH2 ARG 66 -4.012 0.726 4.666 487 2HH2 ARG 66 2HH2 ARG 66 -3.671 2.255 5.404 488 H ASN 67 H ASN 67 -7.890 -3.721 6.190 489 HA ASN 67 HA ASN 67 -5.247 -4.426 5.648 490 1HB ASN 67 2HB ASN 67 -7.316 -5.090 7.638 491 2HB ASN 67 1HB ASN 67 -6.075 -6.310 7.421 492 1HD2 ASN 67 1HD2 ASN 67 -6.581 -4.692 9.737 493 2HD2 ASN 67 2HD2 ASN 67 -5.149 -3.770 10.031 494 H GLU 68 H GLU 68 -8.307 -6.166 5.203 495 HA GLU 68 HA GLU 68 -7.163 -8.555 4.313 496 1HB GLU 68 2HB GLU 68 -9.901 -7.456 3.709 497 2HB GLU 68 1HB GLU 68 -9.403 -9.132 3.518 498 1HG GLU 68 2HG GLU 68 -9.243 -7.763 6.173 499 2HG GLU 68 1HG GLU 68 -10.748 -8.477 5.598 500 H LEU 69 H LEU 69 -7.599 -5.554 2.828 501 HA LEU 69 HA LEU 69 -7.407 -6.615 0.119 502 1HB LEU 69 2HB LEU 69 -7.754 -3.817 1.190 503 2HB LEU 69 1HB LEU 69 -7.581 -4.187 -0.520 504 HG LEU 69 HG LEU 69 -9.801 -5.152 1.275 505 1HD1 LEU 69 1HD1 LEU 69 -9.553 -2.909 -0.676 506 2HD1 LEU 69 2HD1 LEU 69 -10.324 -2.938 0.911 507 3HD1 LEU 69 3HD1 LEU 69 -11.106 -3.718 -0.466 508 1HD2 LEU 69 1HD2 LEU 69 -8.793 -6.238 -1.109 509 2HD2 LEU 69 2HD2 LEU 69 -10.303 -5.427 -1.527 510 3HD2 LEU 69 3HD2 LEU 69 -10.285 -6.665 -0.270 511 H LYS 70 H LYS 70 -5.675 -4.259 2.146 512 HA LYS 70 HA LYS 70 -3.557 -3.717 0.515 513 1HB LYS 70 2HB LYS 70 -2.641 -2.716 2.338 514 2HB LYS 70 1HB LYS 70 -4.266 -2.925 2.945 515 1HG LYS 70 2HG LYS 70 -3.604 -4.853 4.213 516 2HG LYS 70 1HG LYS 70 -1.986 -4.803 3.510 517 1HD LYS 70 2HD LYS 70 -2.104 -3.845 5.800 518 2HD LYS 70 1HD LYS 70 -1.518 -2.708 4.586 519 1HE LYS 70 2HE LYS 70 -3.417 -1.422 4.676 520 2HE LYS 70 1HE LYS 70 -4.431 -2.762 5.203 521 1HZ LYS 70 1HZ LYS 70 -3.978 -2.365 7.351 522 2HZ LYS 70 2HZ LYS 70 -3.563 -0.817 6.812 523 3HZ LYS 70 3HZ LYS 70 -2.356 -1.975 7.064 524 H LYS 71 H LYS 71 -4.120 -6.565 2.456 525 HA LYS 71 HA LYS 71 -1.527 -7.639 2.180 526 1HB LYS 71 2HB LYS 71 -4.062 -8.494 3.299 527 2HB LYS 71 1HB LYS 71 -3.254 -9.812 2.462 528 1HG LYS 71 2HG LYS 71 -1.322 -9.605 3.844 529 2HG LYS 71 1HG LYS 71 -1.934 -8.117 4.567 530 1HD LYS 71 2HD LYS 71 -3.133 -10.872 4.844 531 2HD LYS 71 1HD LYS 71 -2.253 -9.982 6.087 532 1HE LYS 71 2HE LYS 71 -4.025 -8.182 5.845 533 2HE LYS 71 1HE LYS 71 -4.942 -9.351 4.896 534 1HZ LYS 71 1HZ LYS 71 -4.384 -10.809 7.040 535 2HZ LYS 71 2HZ LYS 71 -5.775 -9.856 6.912 536 3HZ LYS 71 3HZ LYS 71 -4.429 -9.277 7.756 537 H LYS 72 H LYS 72 -4.345 -7.641 0.225 538 HA LYS 72 HA LYS 72 -3.671 -9.707 -1.521 539 1HB LYS 72 2HB LYS 72 -5.263 -7.239 -2.191 540 2HB LYS 72 1HB LYS 72 -5.309 -8.777 -3.041 541 1HG LYS 72 2HG LYS 72 -6.190 -8.341 -0.198 542 2HG LYS 72 1HG LYS 72 -7.260 -8.438 -1.596 543 1HD LYS 72 2HD LYS 72 -7.183 -10.672 -1.619 544 2HD LYS 72 1HD LYS 72 -5.428 -10.691 -1.439 545 1HE LYS 72 2HE LYS 72 -5.902 -10.079 1.023 546 2HE LYS 72 1HE LYS 72 -7.544 -10.625 0.683 547 1HZ LYS 72 1HZ LYS 72 -6.419 -12.729 -0.174 548 2HZ LYS 72 2HZ LYS 72 -6.465 -12.498 1.500 549 3HZ LYS 72 3HZ LYS 72 -5.039 -12.190 0.643 550 H ALA 73 H ALA 73 -2.838 -6.374 -1.328 551 HA ALA 73 HA ALA 73 -1.325 -6.456 -3.788 552 1HB ALA 73 1HB ALA 73 -1.795 -4.165 -1.896 553 2HB ALA 73 2HB ALA 73 -2.741 -4.510 -3.341 554 3HB ALA 73 3HB ALA 73 -1.040 -4.063 -3.487 555 H SER 74 H SER 74 -0.827 -7.121 -0.526 556 HA SER 74 HA SER 74 1.066 -7.701 0.606 557 1HB SER 74 2HB SER 74 2.841 -6.761 -1.624 558 2HB SER 74 1HB SER 74 3.071 -8.105 -0.506 559 HG SER 74 HG SER 74 1.465 -9.241 -1.617 560 H LEU 75 H LEU 75 -0.125 -4.936 0.314 561 HA LEU 75 HA LEU 75 2.151 -3.244 0.977 562 1HB LEU 75 2HB LEU 75 -0.771 -2.511 0.796 563 2HB LEU 75 1HB LEU 75 0.582 -1.400 0.884 564 HG LEU 75 HG LEU 75 -0.229 -3.155 -1.420 565 1HD1 LEU 75 1HD1 LEU 75 -0.486 -1.151 -2.621 566 2HD1 LEU 75 2HD1 LEU 75 0.379 -0.215 -1.399 567 3HD1 LEU 75 3HD1 LEU 75 -1.227 -0.851 -1.048 568 1HD2 LEU 75 1HD2 LEU 75 2.028 -3.498 -1.542 569 2HD2 LEU 75 2HD2 LEU 75 2.420 -1.953 -0.788 570 3HD2 LEU 75 3HD2 LEU 75 1.873 -2.002 -2.464 571 H PHE 76 H PHE 76 0.772 -5.457 2.680 572 HA PHE 76 HA PHE 76 -0.084 -3.996 4.994 573 1HB PHE 76 2HB PHE 76 -0.951 -6.304 4.140 574 2HB PHE 76 1HB PHE 76 0.457 -6.943 4.982 575 HD1 PHE 76 1HD PHE 76 0.685 -5.684 7.443 576 HD2 PHE 76 2HD PHE 76 -2.898 -6.545 5.312 577 HE1 PHE 76 1HE PHE 76 -0.573 -5.673 9.558 578 HE2 PHE 76 2HE PHE 76 -4.157 -6.536 7.420 579 HZ PHE 76 HZ PHE 76 -3.001 -6.099 9.546 Start of MODEL 6 1 HA PRO 9 HA PRO 9 0.958 15.479 4.832 2 1HB PRO 9 2HB PRO 9 0.526 13.715 7.006 3 2HB PRO 9 1HB PRO 9 1.264 15.322 7.053 4 1HG PRO 9 2HG PRO 9 -1.540 14.510 7.602 5 2HG PRO 9 1HG PRO 9 -0.588 15.825 8.313 6 1HD PRO 9 2HD PRO 9 -2.508 16.347 6.539 7 2HD PRO 9 1HD PRO 9 -0.982 17.252 6.509 8 H GLY 10 H GLY 10 1.156 14.210 3.048 9 1HA GLY 10 2HA GLY 10 0.297 11.403 3.344 10 2HA GLY 10 1HA GLY 10 0.017 12.274 1.843 11 H LEU 11 H LEU 11 1.713 9.872 2.684 12 HA LEU 11 HA LEU 11 4.411 10.614 2.302 13 1HB LEU 11 2HB LEU 11 3.441 7.870 1.652 14 2HB LEU 11 1HB LEU 11 4.928 8.368 2.436 15 HG LEU 11 HG LEU 11 2.836 9.151 4.161 16 1HD1 LEU 11 1HD1 LEU 11 1.809 7.174 2.583 17 2HD1 LEU 11 2HD1 LEU 11 1.287 7.541 4.227 18 3HD1 LEU 11 3HD1 LEU 11 2.467 6.261 3.940 19 1HD2 LEU 11 1HD2 LEU 11 5.123 7.290 4.147 20 2HD2 LEU 11 2HD2 LEU 11 3.884 6.990 5.364 21 3HD2 LEU 11 3HD2 LEU 11 4.693 8.555 5.297 22 H GLN 12 H GLN 12 5.746 10.339 0.485 23 HA GLN 12 HA GLN 12 4.670 11.129 -1.944 24 1HB GLN 12 2HB GLN 12 7.212 10.813 -0.892 25 2HB GLN 12 1HB GLN 12 7.180 9.691 -2.246 26 1HG GLN 12 2HG GLN 12 6.380 12.579 -2.455 27 2HG GLN 12 1HG GLN 12 8.009 11.985 -2.777 28 1HE2 GLN 12 1HE2 GLN 12 4.649 11.788 -3.792 29 2HE2 GLN 12 2HE2 GLN 12 4.970 11.277 -5.409 30 H ILE 13 H ILE 13 3.779 10.124 -3.591 31 HA ILE 13 HA ILE 13 3.069 7.389 -3.488 32 HB ILE 13 HB ILE 13 2.968 9.180 -5.903 33 1HG1 ILE 13 2HG1 ILE 13 1.984 10.218 -3.801 34 2HG1 ILE 13 1HG1 ILE 13 0.891 10.058 -5.165 35 1HG2 ILE 13 1HG2 ILE 13 2.491 6.690 -6.088 36 2HG2 ILE 13 2HG2 ILE 13 1.256 7.794 -6.688 37 3HG2 ILE 13 3HG2 ILE 13 1.051 7.008 -5.125 38 1HD1 ILE 13 1HD1 ILE 13 0.536 7.711 -3.769 39 2HD1 ILE 13 2HD1 ILE 13 -0.524 9.121 -3.739 40 3HD1 ILE 13 3HD1 ILE 13 0.726 8.929 -2.508 41 H TYR 14 H TYR 14 3.803 5.643 -4.632 42 HA TYR 14 HA TYR 14 6.119 6.013 -6.393 43 1HB TYR 14 2HB TYR 14 5.927 3.872 -4.266 44 2HB TYR 14 1HB TYR 14 7.270 4.134 -5.373 45 HD1 TYR 14 1HD TYR 14 6.328 4.541 -2.115 46 HD2 TYR 14 2HD TYR 14 8.069 6.762 -5.292 47 HE1 TYR 14 1HE TYR 14 7.379 6.041 -0.479 48 HE2 TYR 14 2HE TYR 14 9.126 8.275 -3.666 49 HH TYR 14 HH TYR 14 8.833 8.999 -1.365 50 HA PRO 15 HA PRO 15 4.006 3.175 -9.003 51 1HB PRO 15 2HB PRO 15 6.001 1.982 -10.358 52 2HB PRO 15 1HB PRO 15 5.620 3.697 -10.561 53 1HG PRO 15 2HG PRO 15 7.776 2.418 -8.927 54 2HG PRO 15 1HG PRO 15 7.864 3.846 -9.975 55 1HD PRO 15 2HD PRO 15 7.615 3.983 -7.259 56 2HD PRO 15 1HD PRO 15 7.011 5.234 -8.360 57 H TYR 16 H TYR 16 3.995 2.081 -6.490 58 HA TYR 16 HA TYR 16 3.734 0.109 -5.377 59 1HB TYR 16 2HB TYR 16 2.297 -0.295 -7.359 60 2HB TYR 16 1HB TYR 16 3.662 -1.064 -8.153 61 HD1 TYR 16 1HD TYR 16 1.816 -1.354 -4.895 62 HD2 TYR 16 2HD TYR 16 3.666 -3.365 -8.158 63 HE1 TYR 16 1HE TYR 16 1.100 -3.512 -3.963 64 HE2 TYR 16 2HE TYR 16 2.959 -5.526 -7.233 65 HH TYR 16 HH TYR 16 1.900 -5.940 -4.121 66 H GLU 17 H GLU 17 5.579 -1.022 -8.121 67 HA GLU 17 HA GLU 17 7.103 -2.923 -6.892 68 1HB GLU 17 2HB GLU 17 7.898 -1.147 -9.201 69 2HB GLU 17 1HB GLU 17 8.727 -2.629 -8.746 70 1HG GLU 17 2HG GLU 17 7.067 -3.971 -9.543 71 2HG GLU 17 1HG GLU 17 5.810 -2.765 -9.269 72 H MET 18 H MET 18 7.469 0.502 -6.718 73 HA MET 18 HA MET 18 10.176 0.597 -5.934 74 1HB MET 18 2HB MET 18 7.921 2.445 -6.084 75 2HB MET 18 1HB MET 18 8.993 2.785 -4.733 76 1HG MET 18 2HG MET 18 9.874 2.507 -7.597 77 2HG MET 18 1HG MET 18 9.557 4.037 -6.781 78 1HE MET 18 1HE MET 18 12.696 4.181 -7.780 79 2HE MET 18 2HE MET 18 11.925 2.703 -8.353 80 3HE MET 18 3HE MET 18 13.437 2.615 -7.449 81 H LEU 19 H LEU 19 7.260 -0.202 -4.329 82 HA LEU 19 HA LEU 19 8.575 -0.181 -1.697 83 1HB LEU 19 2HB LEU 19 5.641 -0.484 -2.272 84 2HB LEU 19 1HB LEU 19 6.393 -0.087 -0.736 85 HG LEU 19 HG LEU 19 6.931 1.846 -2.878 86 1HD1 LEU 19 1HD1 LEU 19 4.849 2.486 -3.418 87 2HD1 LEU 19 2HD1 LEU 19 4.224 2.174 -1.804 88 3HD1 LEU 19 3HD1 LEU 19 4.405 0.849 -2.948 89 1HD2 LEU 19 1HD2 LEU 19 6.914 1.749 -0.077 90 2HD2 LEU 19 2HD2 LEU 19 5.615 2.853 -0.529 91 3HD2 LEU 19 3HD2 LEU 19 7.257 3.142 -1.102 92 H VAL 20 H VAL 20 6.862 -2.104 -4.044 93 HA VAL 20 HA VAL 20 6.401 -4.417 -2.529 94 HB VAL 20 HB VAL 20 6.923 -4.387 -5.490 95 1HG1 VAL 20 1HG1 VAL 20 6.574 -6.568 -5.024 96 2HG1 VAL 20 2HG1 VAL 20 4.887 -6.075 -5.123 97 3HG1 VAL 20 3HG1 VAL 20 5.671 -6.234 -3.551 98 1HG2 VAL 20 1HG2 VAL 20 5.061 -2.784 -4.164 99 2HG2 VAL 20 2HG2 VAL 20 4.143 -4.159 -4.762 100 3HG2 VAL 20 3HG2 VAL 20 5.093 -3.185 -5.880 101 H VAL 21 H VAL 21 7.918 -5.521 -1.501 102 HA VAL 21 HA VAL 21 10.484 -5.975 -2.802 103 HB VAL 21 HB VAL 21 9.820 -6.364 0.113 104 1HG1 VAL 21 1HG1 VAL 21 11.792 -7.583 -1.090 105 2HG1 VAL 21 2HG1 VAL 21 12.047 -6.823 0.482 106 3HG1 VAL 21 3HG1 VAL 21 12.569 -6.002 -0.990 107 1HG2 VAL 21 1HG2 VAL 21 9.901 -3.950 -1.109 108 2HG2 VAL 21 2HG2 VAL 21 11.596 -4.156 -0.671 109 3HG2 VAL 21 3HG2 VAL 21 10.347 -4.225 0.573 110 H THR 22 H THR 22 10.929 -7.961 -3.548 111 HA THR 22 HA THR 22 9.071 -10.090 -3.054 112 HB THR 22 HB THR 22 11.176 -11.016 -4.659 113 HG1 THR 22 1HG THR 22 10.352 -8.414 -5.410 114 1HG2 THR 22 1HG2 THR 22 9.158 -10.101 -6.361 115 2HG2 THR 22 2HG2 THR 22 8.360 -10.605 -4.870 116 3HG2 THR 22 3HG2 THR 22 9.396 -11.735 -5.742 117 H ASN 23 H ASN 23 10.471 -9.476 -0.732 118 HA ASN 23 HA ASN 23 11.323 -11.960 0.130 119 1HB ASN 23 2HB ASN 23 13.316 -10.759 -1.415 120 2HB ASN 23 1HB ASN 23 13.833 -10.515 0.250 121 1HD2 ASN 23 1HD2 ASN 23 13.362 -12.769 -2.287 122 2HD2 ASN 23 2HD2 ASN 23 13.993 -14.155 -1.473 123 H LYS 24 H LYS 24 9.891 -9.482 0.924 124 HA LYS 24 HA LYS 24 9.668 -8.024 2.687 125 1HB LYS 24 2HB LYS 24 10.532 -10.465 4.236 126 2HB LYS 24 1HB LYS 24 9.463 -9.179 4.780 127 1HG LYS 24 2HG LYS 24 8.807 -10.970 2.458 128 2HG LYS 24 1HG LYS 24 8.358 -11.345 4.123 129 1HD LYS 24 2HD LYS 24 7.246 -9.063 4.182 130 2HD LYS 24 1HD LYS 24 7.465 -9.023 2.431 131 1HE LYS 24 2HE LYS 24 5.305 -9.859 2.707 132 2HE LYS 24 1HE LYS 24 6.284 -11.298 2.428 133 1HZ LYS 24 1HZ LYS 24 5.935 -10.476 5.200 134 2HZ LYS 24 2HZ LYS 24 5.973 -12.027 4.528 135 3HZ LYS 24 3HZ LYS 24 4.565 -11.096 4.423 136 H GLY 25 H GLY 25 11.308 -6.497 2.442 137 1HA GLY 25 2HA GLY 25 12.858 -5.416 4.044 138 2HA GLY 25 1HA GLY 25 13.680 -6.963 4.145 139 H ARG 26 H ARG 26 15.160 -7.528 2.596 140 HA ARG 26 HA ARG 26 16.875 -7.063 1.170 141 1HB ARG 26 2HB ARG 26 14.436 -6.330 -0.425 142 2HB ARG 26 1HB ARG 26 16.036 -6.507 -1.133 143 1HG ARG 26 2HG ARG 26 14.452 -8.645 0.270 144 2HG ARG 26 1HG ARG 26 14.737 -8.515 -1.466 145 1HD ARG 26 2HD ARG 26 17.206 -8.646 -0.940 146 2HD ARG 26 1HD ARG 26 16.743 -9.084 0.704 147 HE ARG 26 HE ARG 26 15.521 -10.722 -1.318 148 1HH1 ARG 26 1HH1 ARG 26 18.340 -10.286 0.693 149 2HH1 ARG 26 2HH1 ARG 26 18.796 -11.955 0.631 150 1HH2 ARG 26 1HH2 ARG 26 16.119 -12.917 -1.400 151 2HH2 ARG 26 2HH2 ARG 26 17.536 -13.450 -0.557 152 H THR 27 H THR 27 15.826 -4.667 -0.840 153 HA THR 27 HA THR 27 17.672 -2.796 0.162 154 HB THR 27 HB THR 27 17.488 -2.471 -2.069 155 HG1 THR 27 1HG THR 27 17.041 -0.466 -1.194 156 1HG2 THR 27 1HG2 THR 27 15.273 -2.372 -3.294 157 2HG2 THR 27 2HG2 THR 27 14.559 -3.059 -1.835 158 3HG2 THR 27 3HG2 THR 27 15.793 -3.956 -2.720 159 H LYS 28 H LYS 28 17.188 -0.562 0.683 160 HA LYS 28 HA LYS 28 15.290 -0.425 2.821 161 1HB LYS 28 2HB LYS 28 17.208 1.534 1.591 162 2HB LYS 28 1HB LYS 28 16.038 2.055 2.796 163 1HG LYS 28 2HG LYS 28 17.114 1.021 4.493 164 2HG LYS 28 1HG LYS 28 17.668 -0.312 3.477 165 1HD LYS 28 2HD LYS 28 19.572 0.995 4.158 166 2HD LYS 28 1HD LYS 28 19.304 1.234 2.430 167 1HE LYS 28 2HE LYS 28 19.772 3.368 3.379 168 2HE LYS 28 1HE LYS 28 18.050 3.323 3.002 169 1HZ LYS 28 1HZ LYS 28 19.111 2.705 5.699 170 2HZ LYS 28 2HZ LYS 28 17.511 3.037 5.261 171 3HZ LYS 28 3HZ LYS 28 18.668 4.270 5.229 172 H LEU 29 H LEU 29 13.443 0.856 2.983 173 HA LEU 29 HA LEU 29 12.011 1.201 0.537 174 1HB LEU 29 2HB LEU 29 11.367 1.417 3.436 175 2HB LEU 29 1HB LEU 29 10.297 2.201 2.282 176 HG LEU 29 HG LEU 29 10.980 -0.741 2.337 177 1HD1 LEU 29 1HD1 LEU 29 8.800 0.883 3.485 178 2HD1 LEU 29 2HD1 LEU 29 9.482 -0.651 4.024 179 3HD1 LEU 29 3HD1 LEU 29 8.329 -0.618 2.690 180 1HD2 LEU 29 1HD2 LEU 29 10.612 -0.134 0.075 181 2HD2 LEU 29 2HD2 LEU 29 9.246 0.897 0.502 182 3HD2 LEU 29 3HD2 LEU 29 9.109 -0.854 0.654 183 HA PRO 30 HA PRO 30 12.476 5.456 -0.456 184 1HB PRO 30 2HB PRO 30 9.559 5.804 0.081 185 2HB PRO 30 1HB PRO 30 10.508 6.276 -1.335 186 1HG PRO 30 2HG PRO 30 8.937 4.134 -1.422 187 2HG PRO 30 1HG PRO 30 10.528 4.122 -2.203 188 1HD PRO 30 2HD PRO 30 9.657 2.837 0.342 189 2HD PRO 30 1HD PRO 30 10.833 2.275 -0.864 190 HA PRO 31 HA PRO 31 13.046 7.691 3.315 191 1HB PRO 31 2HB PRO 31 12.396 10.128 1.745 192 2HB PRO 31 1HB PRO 31 13.833 9.754 2.703 193 1HG PRO 31 2HG PRO 31 13.915 9.705 0.039 194 2HG PRO 31 1HG PRO 31 14.803 8.512 1.004 195 1HD PRO 31 2HD PRO 31 12.238 8.206 -0.500 196 2HD PRO 31 1HD PRO 31 13.578 7.056 -0.304 197 H GLY 32 H GLY 32 11.133 6.939 4.368 198 1HA GLY 32 2HA GLY 32 9.433 7.873 5.781 199 2HA GLY 32 1HA GLY 32 9.048 9.012 4.501 200 H VAL 33 H VAL 33 9.132 5.482 5.005 201 HA VAL 33 HA VAL 33 6.632 5.305 3.558 202 HB VAL 33 HB VAL 33 8.868 3.358 3.701 203 1HG1 VAL 33 1HG1 VAL 33 6.053 2.936 2.758 204 2HG1 VAL 33 2HG1 VAL 33 6.961 1.982 3.931 205 3HG1 VAL 33 3HG1 VAL 33 7.392 1.922 2.222 206 1HG2 VAL 33 1HG2 VAL 33 8.012 5.336 1.843 207 2HG2 VAL 33 2HG2 VAL 33 7.971 3.745 1.083 208 3HG2 VAL 33 3HG2 VAL 33 9.466 4.340 1.809 209 H ASP 34 H ASP 34 5.081 3.861 4.230 210 HA ASP 34 HA ASP 34 5.249 3.276 7.093 211 1HB ASP 34 2HB ASP 34 3.480 4.836 5.729 212 2HB ASP 34 1HB ASP 34 2.605 3.305 5.800 213 H ARG 35 H ARG 35 5.876 1.183 7.243 214 HA ARG 35 HA ARG 35 5.400 -0.888 5.476 215 1HB ARG 35 2HB ARG 35 6.156 -0.675 8.317 216 2HB ARG 35 1HB ARG 35 5.446 -2.214 7.852 217 1HG ARG 35 2HG ARG 35 7.373 -2.864 6.989 218 2HG ARG 35 1HG ARG 35 7.360 -1.490 5.882 219 1HD ARG 35 2HD ARG 35 8.766 -0.260 7.174 220 2HD ARG 35 1HD ARG 35 8.150 -0.941 8.679 221 HE ARG 35 HE ARG 35 9.625 -2.840 7.131 222 1HH1 ARG 35 1HH1 ARG 35 9.924 -0.212 9.407 223 2HH1 ARG 35 2HH1 ARG 35 11.455 -0.746 10.014 224 1HH2 ARG 35 1HH2 ARG 35 11.639 -3.545 7.929 225 2HH2 ARG 35 2HH2 ARG 35 12.429 -2.638 9.176 226 H MET 36 H MET 36 3.392 0.249 8.145 227 HA MET 36 HA MET 36 1.383 -1.749 7.576 228 1HB MET 36 2HB MET 36 1.308 0.397 9.685 229 2HB MET 36 1HB MET 36 0.312 -1.049 9.604 230 1HG MET 36 2HG MET 36 1.785 -2.115 10.855 231 2HG MET 36 1HG MET 36 2.993 -1.908 9.589 232 1HE MET 36 1HE MET 36 5.272 0.493 10.356 233 2HE MET 36 2HE MET 36 4.852 -1.116 9.767 234 3HE MET 36 3HE MET 36 5.549 -0.919 11.375 235 H ARG 37 H ARG 37 2.122 0.981 6.104 236 HA ARG 37 HA ARG 37 -0.623 1.494 5.318 237 1HB ARG 37 2HB ARG 37 0.697 3.180 7.179 238 2HB ARG 37 1HB ARG 37 0.615 4.060 5.661 239 1HG ARG 37 2HG ARG 37 -1.351 4.680 6.656 240 2HG ARG 37 1HG ARG 37 -1.878 3.308 5.680 241 1HD ARG 37 2HD ARG 37 -2.589 2.256 7.501 242 2HD ARG 37 1HD ARG 37 -0.976 2.343 8.206 243 HE ARG 37 HE ARG 37 -2.501 4.772 8.456 244 1HH1 ARG 37 1HH1 ARG 37 -1.768 1.678 9.898 245 2HH1 ARG 37 2HH1 ARG 37 -2.215 2.177 11.495 246 1HH2 ARG 37 1HH2 ARG 37 -3.089 5.429 10.555 247 2HH2 ARG 37 2HH2 ARG 37 -2.966 4.306 11.868 248 H LEU 38 H LEU 38 1.249 0.231 3.845 249 HA LEU 38 HA LEU 38 2.801 1.931 2.207 250 1HB LEU 38 2HB LEU 38 2.217 -0.888 2.456 251 2HB LEU 38 1HB LEU 38 2.254 -0.411 0.778 252 HG LEU 38 HG LEU 38 4.435 -1.054 1.093 253 1HD1 LEU 38 1HD1 LEU 38 4.455 1.834 1.931 254 2HD1 LEU 38 2HD1 LEU 38 4.499 1.219 0.279 255 3HD1 LEU 38 3HD1 LEU 38 5.859 0.930 1.366 256 1HD2 LEU 38 1HD2 LEU 38 3.819 -0.560 3.868 257 2HD2 LEU 38 2HD2 LEU 38 5.430 0.026 3.453 258 3HD2 LEU 38 3HD2 LEU 38 4.999 -1.657 3.153 259 H GLU 39 H GLU 39 -0.437 0.829 2.125 260 HA GLU 39 HA GLU 39 -1.140 1.126 -0.537 261 1HB GLU 39 2HB GLU 39 -2.854 1.826 1.852 262 2HB GLU 39 1HB GLU 39 -3.429 1.444 0.234 263 1HG GLU 39 2HG GLU 39 -3.710 -0.602 1.103 264 2HG GLU 39 1HG GLU 39 -1.991 -0.765 0.749 265 H ARG 40 H ARG 40 -0.552 3.557 1.885 266 HA ARG 40 HA ARG 40 -1.737 5.696 0.450 267 1HB ARG 40 2HB ARG 40 -0.074 5.434 2.893 268 2HB ARG 40 1HB ARG 40 -0.098 7.003 2.100 269 1HG ARG 40 2HG ARG 40 -1.935 7.429 3.266 270 2HG ARG 40 1HG ARG 40 -2.763 6.288 2.204 271 1HD ARG 40 2HD ARG 40 -2.309 4.476 3.750 272 2HD ARG 40 1HD ARG 40 -1.388 5.564 4.789 273 HE ARG 40 HE ARG 40 -3.354 6.271 5.698 274 1HH1 ARG 40 1HH1 ARG 40 -4.042 4.806 2.606 275 2HH1 ARG 40 2HH1 ARG 40 -5.759 4.921 2.792 276 1HH2 ARG 40 1HH2 ARG 40 -5.613 6.425 5.944 277 2HH2 ARG 40 2HH2 ARG 40 -6.652 5.841 4.687 278 H HIS 41 H HIS 41 0.990 3.929 -0.136 279 HA HIS 41 HA HIS 41 2.491 6.152 -1.304 280 1HB HIS 41 2HB HIS 41 3.194 3.295 -0.682 281 2HB HIS 41 1HB HIS 41 4.217 4.302 -1.702 282 HD1 HIS 41 1HD HIS 41 5.366 6.356 -0.535 283 HD2 HIS 41 2HD HIS 41 3.378 3.771 2.022 284 HE1 HIS 41 1HE HIS 41 6.194 6.921 1.769 285 HE2 HIS 41 2HE HIS 41 4.773 5.519 3.304 286 H LEU 42 H LEU 42 0.509 3.440 -2.177 287 HA LEU 42 HA LEU 42 1.370 3.034 -4.803 288 1HB LEU 42 2HB LEU 42 -0.969 2.405 -3.158 289 2HB LEU 42 1HB LEU 42 -1.312 2.545 -4.862 290 HG LEU 42 HG LEU 42 0.366 0.525 -3.440 291 1HD1 LEU 42 1HD1 LEU 42 -1.985 0.631 -5.246 292 2HD1 LEU 42 2HD1 LEU 42 -1.709 -0.352 -3.803 293 3HD1 LEU 42 3HD1 LEU 42 -0.939 -0.790 -5.328 294 1HD2 LEU 42 1HD2 LEU 42 0.868 1.667 -6.120 295 2HD2 LEU 42 2HD2 LEU 42 0.848 -0.093 -6.016 296 3HD2 LEU 42 3HD2 LEU 42 1.965 0.836 -5.017 297 H SER 43 H SER 43 0.870 3.969 -6.700 298 HA SER 43 HA SER 43 -0.173 6.619 -6.651 299 1HB SER 43 2HB SER 43 1.247 4.967 -8.505 300 2HB SER 43 1HB SER 43 -0.148 5.708 -9.287 301 HG SER 43 HG SER 43 0.867 7.535 -9.266 302 H ALA 44 H ALA 44 -2.010 7.305 -7.850 303 HA ALA 44 HA ALA 44 -4.322 5.894 -7.216 304 1HB ALA 44 1HB ALA 44 -4.051 7.898 -9.450 305 2HB ALA 44 2HB ALA 44 -4.216 8.330 -7.746 306 3HB ALA 44 3HB ALA 44 -5.525 7.482 -8.573 307 H GLU 45 H GLU 45 -2.316 5.803 -10.048 308 HA GLU 45 HA GLU 45 -4.093 4.278 -11.622 309 1HB GLU 45 2HB GLU 45 -1.118 4.692 -11.918 310 2HB GLU 45 1HB GLU 45 -2.181 4.007 -13.140 311 1HG GLU 45 2HG GLU 45 -3.359 6.104 -13.348 312 2HG GLU 45 1HG GLU 45 -2.403 6.800 -12.040 313 H ASP 46 H ASP 46 -1.866 3.623 -9.100 314 HA ASP 46 HA ASP 46 -1.630 0.863 -9.835 315 1HB ASP 46 2HB ASP 46 -0.387 2.452 -7.603 316 2HB ASP 46 1HB ASP 46 -0.225 0.699 -7.725 317 H PHE 47 H PHE 47 -2.932 2.783 -7.105 318 HA PHE 47 HA PHE 47 -3.880 0.579 -5.676 319 1HB PHE 47 2HB PHE 47 -3.853 2.806 -4.679 320 2HB PHE 47 1HB PHE 47 -5.071 3.348 -5.836 321 HD1 PHE 47 1HD PHE 47 -7.341 2.301 -5.783 322 HD2 PHE 47 2HD PHE 47 -4.470 1.709 -2.703 323 HE1 PHE 47 1HE PHE 47 -9.124 1.526 -4.279 324 HE2 PHE 47 2HE PHE 47 -6.242 0.928 -1.197 325 HZ PHE 47 HZ PHE 47 -8.580 0.838 -1.988 326 H SER 48 H SER 48 -5.479 2.596 -8.001 327 HA SER 48 HA SER 48 -7.929 1.359 -8.128 328 1HB SER 48 2HB SER 48 -8.161 2.337 -10.381 329 2HB SER 48 1HB SER 48 -7.501 3.494 -9.225 330 HG SER 48 HG SER 48 -6.323 3.511 -11.172 331 H ARG 49 H ARG 49 -4.960 0.448 -9.653 332 HA ARG 49 HA ARG 49 -6.254 -1.688 -11.072 333 1HB ARG 49 2HB ARG 49 -3.701 -0.276 -11.317 334 2HB ARG 49 1HB ARG 49 -3.623 -1.998 -11.662 335 1HG ARG 49 2HG ARG 49 -4.753 -1.798 -13.591 336 2HG ARG 49 1HG ARG 49 -5.852 -0.581 -12.941 337 1HD ARG 49 2HD ARG 49 -4.434 0.319 -14.731 338 2HD ARG 49 1HD ARG 49 -4.151 1.129 -13.191 339 HE ARG 49 HE ARG 49 -2.009 0.313 -13.187 340 1HH1 ARG 49 1HH1 ARG 49 -3.873 -1.387 -15.600 341 2HH1 ARG 49 2HH1 ARG 49 -2.495 -2.187 -16.280 342 1HH2 ARG 49 1HH2 ARG 49 -0.197 -0.741 -14.079 343 2HH2 ARG 49 2HH2 ARG 49 -0.409 -1.822 -15.416 344 H VAL 50 H VAL 50 -4.489 -1.160 -8.260 345 HA VAL 50 HA VAL 50 -3.487 -3.805 -7.944 346 HB VAL 50 HB VAL 50 -3.406 -1.312 -6.325 347 1HG1 VAL 50 1HG1 VAL 50 -2.160 -3.772 -5.242 348 2HG1 VAL 50 2HG1 VAL 50 -3.843 -3.440 -4.857 349 3HG1 VAL 50 3HG1 VAL 50 -2.586 -2.286 -4.414 350 1HG2 VAL 50 1HG2 VAL 50 -1.425 -1.187 -7.238 351 2HG2 VAL 50 2HG2 VAL 50 -1.748 -2.639 -8.162 352 3HG2 VAL 50 3HG2 VAL 50 -0.957 -2.744 -6.588 353 H PHE 51 H PHE 51 -6.044 -1.867 -6.405 354 HA PHE 51 HA PHE 51 -7.048 -4.340 -5.187 355 1HB PHE 51 2HB PHE 51 -7.605 -1.509 -4.295 356 2HB PHE 51 1HB PHE 51 -8.039 -2.990 -3.450 357 HD1 PHE 51 1HD PHE 51 -6.231 -4.428 -2.505 358 HD2 PHE 51 2HD PHE 51 -5.485 -0.521 -4.021 359 HE1 PHE 51 1HE PHE 51 -4.104 -4.361 -1.275 360 HE2 PHE 51 2HE PHE 51 -3.364 -0.440 -2.778 361 HZ PHE 51 HZ PHE 51 -2.663 -2.366 -1.409 362 H ALA 52 H ALA 52 -7.599 -2.606 -7.829 363 HA ALA 52 HA ALA 52 -9.361 -2.180 -9.192 364 1HB ALA 52 1HB ALA 52 -9.473 -4.723 -8.357 365 2HB ALA 52 2HB ALA 52 -10.572 -4.036 -9.557 366 3HB ALA 52 3HB ALA 52 -11.074 -4.166 -7.868 367 H MET 53 H MET 53 -9.195 -0.524 -6.950 368 HA MET 53 HA MET 53 -11.958 0.306 -6.712 369 1HB MET 53 2HB MET 53 -10.264 -0.645 -4.487 370 2HB MET 53 1HB MET 53 -11.129 0.855 -4.189 371 1HG MET 53 2HG MET 53 -12.805 -0.436 -3.535 372 2HG MET 53 1HG MET 53 -13.079 -0.732 -5.251 373 1HE MET 53 1HE MET 53 -9.843 -2.171 -3.382 374 2HE MET 53 2HE MET 53 -10.605 -3.513 -2.530 375 3HE MET 53 3HE MET 53 -11.063 -1.855 -2.149 376 H SER 54 H SER 54 -12.114 2.578 -5.898 377 HA SER 54 HA SER 54 -10.088 4.180 -7.108 378 1HB SER 54 2HB SER 54 -11.450 6.084 -6.084 379 2HB SER 54 1HB SER 54 -12.305 5.050 -7.227 380 HG SER 54 HG SER 54 -13.644 4.603 -5.686 381 HA PRO 55 HA PRO 55 -7.241 4.634 -3.829 382 1HB PRO 55 2HB PRO 55 -7.320 7.542 -4.497 383 2HB PRO 55 1HB PRO 55 -5.924 6.465 -4.351 384 1HG PRO 55 2HG PRO 55 -6.783 7.182 -6.758 385 2HG PRO 55 1HG PRO 55 -6.284 5.508 -6.457 386 1HD PRO 55 2HD PRO 55 -9.029 6.653 -6.669 387 2HD PRO 55 1HD PRO 55 -8.391 5.113 -7.285 388 H GLU 56 H GLU 56 -9.885 6.829 -4.167 389 HA GLU 56 HA GLU 56 -9.988 7.789 -1.540 390 1HB GLU 56 2HB GLU 56 -12.360 8.370 -2.308 391 2HB GLU 56 1HB GLU 56 -11.025 9.159 -3.120 392 1HG GLU 56 2HG GLU 56 -11.276 7.751 -5.018 393 2HG GLU 56 1HG GLU 56 -12.412 6.706 -4.164 394 H GLU 57 H GLU 57 -11.616 5.214 -3.311 395 HA GLU 57 HA GLU 57 -13.543 4.435 -1.598 396 1HB GLU 57 2HB GLU 57 -11.883 3.102 -3.595 397 2HB GLU 57 1HB GLU 57 -12.544 2.029 -2.388 398 1HG GLU 57 2HG GLU 57 -14.517 3.878 -3.435 399 2HG GLU 57 1HG GLU 57 -13.792 2.865 -4.684 400 H PHE 58 H PHE 58 -10.194 3.755 -1.496 401 HA PHE 58 HA PHE 58 -10.150 2.154 0.816 402 1HB PHE 58 2HB PHE 58 -8.278 2.928 -1.065 403 2HB PHE 58 1HB PHE 58 -7.734 3.743 0.396 404 HD1 PHE 58 1HD PHE 58 -9.292 0.429 -0.230 405 HD2 PHE 58 2HD PHE 58 -5.983 2.575 1.327 406 HE1 PHE 58 1HE PHE 58 -8.310 -1.676 0.562 407 HE2 PHE 58 2HE PHE 58 -4.991 0.481 2.129 408 HZ PHE 58 HZ PHE 58 -6.158 -1.640 1.738 409 H GLY 59 H GLY 59 -9.619 5.622 0.238 410 1HA GLY 59 2HA GLY 59 -8.980 6.355 2.863 411 2HA GLY 59 1HA GLY 59 -9.730 7.411 1.675 412 H LYS 60 H LYS 60 -11.994 5.312 1.583 413 HA LYS 60 HA LYS 60 -13.428 6.423 3.811 414 1HB LYS 60 2HB LYS 60 -14.184 5.606 1.096 415 2HB LYS 60 1HB LYS 60 -15.375 5.270 2.347 416 1HG LYS 60 2HG LYS 60 -15.914 7.381 1.442 417 2HG LYS 60 1HG LYS 60 -15.190 7.684 3.023 418 1HD LYS 60 2HD LYS 60 -14.175 9.259 1.628 419 2HD LYS 60 1HD LYS 60 -12.984 7.959 1.734 420 1HE LYS 60 2HE LYS 60 -13.242 8.766 -0.563 421 2HE LYS 60 1HE LYS 60 -13.728 7.078 -0.406 422 1HZ LYS 60 1HZ LYS 60 -15.983 7.655 -0.536 423 2HZ LYS 60 2HZ LYS 60 -15.236 8.567 -1.748 424 3HZ LYS 60 3HZ LYS 60 -15.680 9.302 -0.291 425 H LEU 61 H LEU 61 -12.380 3.435 2.502 426 HA LEU 61 HA LEU 61 -14.068 1.631 3.752 427 1HB LEU 61 2HB LEU 61 -11.173 1.446 2.987 428 2HB LEU 61 1HB LEU 61 -12.019 0.096 3.700 429 HG LEU 61 HG LEU 61 -12.985 1.427 1.186 430 1HD1 LEU 61 1HD1 LEU 61 -11.508 -1.128 1.049 431 2HD1 LEU 61 2HD1 LEU 61 -10.559 0.336 1.278 432 3HD1 LEU 61 3HD1 LEU 61 -11.618 0.184 -0.125 433 1HD2 LEU 61 1HD2 LEU 61 -13.514 -1.230 2.496 434 2HD2 LEU 61 2HD2 LEU 61 -14.033 -0.816 0.862 435 3HD2 LEU 61 3HD2 LEU 61 -14.655 0.090 2.241 436 H ALA 62 H ALA 62 -12.807 -0.041 5.386 437 HA ALA 62 HA ALA 62 -12.401 1.550 7.817 438 1HB ALA 62 1HB ALA 62 -12.865 -1.428 7.661 439 2HB ALA 62 2HB ALA 62 -14.181 -0.248 7.704 440 3HB ALA 62 3HB ALA 62 -13.055 -0.359 9.057 441 H LEU 63 H LEU 63 -11.049 -0.244 9.378 442 HA LEU 63 HA LEU 63 -8.410 -0.143 8.178 443 1HB LEU 63 2HB LEU 63 -9.434 0.115 10.819 444 2HB LEU 63 1HB LEU 63 -8.326 -1.244 10.800 445 HG LEU 63 HG LEU 63 -7.150 0.769 11.442 446 1HD1 LEU 63 1HD1 LEU 63 -6.312 -1.004 9.581 447 2HD1 LEU 63 2HD1 LEU 63 -5.307 0.280 10.255 448 3HD1 LEU 63 3HD1 LEU 63 -6.114 0.514 8.704 449 1HD2 LEU 63 1HD2 LEU 63 -7.787 1.945 8.751 450 2HD2 LEU 63 2HD2 LEU 63 -7.054 2.732 10.149 451 3HD2 LEU 63 3HD2 LEU 63 -8.759 2.283 10.184 452 H TRP 64 H TRP 64 -10.829 -2.378 9.010 453 HA TRP 64 HA TRP 64 -9.173 -4.676 8.943 454 1HB TRP 64 2HB TRP 64 -11.385 -5.895 9.058 455 2HB TRP 64 1HB TRP 64 -11.059 -4.795 10.393 456 HD1 TRP 64 HD TRP 64 -12.485 -2.457 10.416 457 HE1 TRP 64 1HE TRP 64 -14.797 -1.915 9.406 458 HE3 TRP 64 3HE TRP 64 -12.905 -6.337 7.155 459 HZ2 TRP 64 2HZ TRP 64 -16.560 -2.984 7.518 460 HZ3 TRP 64 3HZ TRP 64 -14.940 -6.522 5.775 461 HH2 TRP 64 HH TRP 64 -16.727 -4.863 5.962 462 H LYS 65 H LYS 65 -11.839 -3.498 6.882 463 HA LYS 65 HA LYS 65 -11.493 -5.396 4.875 464 1HB LYS 65 2HB LYS 65 -12.574 -3.558 3.389 465 2HB LYS 65 1HB LYS 65 -13.509 -4.245 4.704 466 1HG LYS 65 2HG LYS 65 -12.266 -2.082 5.863 467 2HG LYS 65 1HG LYS 65 -12.654 -1.530 4.236 468 1HD LYS 65 2HD LYS 65 -14.899 -2.961 5.191 469 2HD LYS 65 1HD LYS 65 -14.399 -1.861 6.471 470 1HE LYS 65 2HE LYS 65 -15.569 -0.308 5.371 471 2HE LYS 65 1HE LYS 65 -14.236 -0.295 4.219 472 1HZ LYS 65 1HZ LYS 65 -16.332 -0.571 3.085 473 2HZ LYS 65 2HZ LYS 65 -16.703 -1.935 4.015 474 3HZ LYS 65 3HZ LYS 65 -15.412 -1.982 2.924 475 H ARG 66 H ARG 66 -9.959 -2.306 5.464 476 HA ARG 66 HA ARG 66 -8.538 -2.074 3.056 477 1HB ARG 66 2HB ARG 66 -8.467 -0.903 5.756 478 2HB ARG 66 1HB ARG 66 -6.928 -0.906 4.921 479 1HG ARG 66 2HG ARG 66 -8.431 0.066 2.956 480 2HG ARG 66 1HG ARG 66 -9.414 0.587 4.323 481 1HD ARG 66 2HD ARG 66 -7.546 2.147 3.401 482 2HD ARG 66 1HD ARG 66 -7.775 1.987 5.141 483 HE ARG 66 HE ARG 66 -5.863 0.139 4.050 484 1HH1 ARG 66 1HH1 ARG 66 -6.327 3.367 5.300 485 2HH1 ARG 66 2HH1 ARG 66 -4.680 3.544 5.806 486 1HH2 ARG 66 1HH2 ARG 66 -3.699 0.368 4.729 487 2HH2 ARG 66 2HH2 ARG 66 -3.187 1.842 5.479 488 H ASN 67 H ASN 67 -7.836 -3.636 6.161 489 HA ASN 67 HA ASN 67 -5.206 -4.396 5.593 490 1HB ASN 67 2HB ASN 67 -7.270 -5.005 7.595 491 2HB ASN 67 1HB ASN 67 -6.097 -6.285 7.340 492 1HD2 ASN 67 1HD2 ASN 67 -6.570 -4.497 9.632 493 2HD2 ASN 67 2HD2 ASN 67 -5.054 -3.728 9.939 494 H GLU 68 H GLU 68 -8.311 -6.077 5.196 495 HA GLU 68 HA GLU 68 -7.259 -8.485 4.275 496 1HB GLU 68 2HB GLU 68 -9.951 -7.211 3.877 497 2HB GLU 68 1HB GLU 68 -9.569 -8.828 3.304 498 1HG GLU 68 2HG GLU 68 -8.796 -8.710 6.012 499 2HG GLU 68 1HG GLU 68 -10.400 -7.988 5.895 500 H LEU 69 H LEU 69 -7.677 -5.476 2.756 501 HA LEU 69 HA LEU 69 -7.498 -6.552 0.062 502 1HB LEU 69 2HB LEU 69 -7.731 -3.747 1.143 503 2HB LEU 69 1HB LEU 69 -7.535 -4.102 -0.568 504 HG LEU 69 HG LEU 69 -9.836 -4.988 1.167 505 1HD1 LEU 69 1HD1 LEU 69 -10.208 -2.730 0.791 506 2HD1 LEU 69 2HD1 LEU 69 -11.059 -3.492 -0.553 507 3HD1 LEU 69 3HD1 LEU 69 -9.469 -2.772 -0.810 508 1HD2 LEU 69 1HD2 LEU 69 -8.818 -6.100 -1.205 509 2HD2 LEU 69 2HD2 LEU 69 -10.289 -5.230 -1.644 510 3HD2 LEU 69 3HD2 LEU 69 -10.340 -6.475 -0.396 511 H LYS 70 H LYS 70 -5.638 -4.291 2.079 512 HA LYS 70 HA LYS 70 -3.500 -3.882 0.418 513 1HB LYS 70 2HB LYS 70 -2.574 -2.842 2.197 514 2HB LYS 70 1HB LYS 70 -4.174 -3.046 2.871 515 1HG LYS 70 2HG LYS 70 -3.176 -5.295 3.767 516 2HG LYS 70 1HG LYS 70 -1.643 -4.452 3.539 517 1HD LYS 70 2HD LYS 70 -3.869 -3.066 4.963 518 2HD LYS 70 1HD LYS 70 -2.933 -4.290 5.821 519 1HE LYS 70 2HE LYS 70 -1.099 -2.987 5.937 520 2HE LYS 70 1HE LYS 70 -1.342 -2.327 4.321 521 1HZ LYS 70 1HZ LYS 70 -3.393 -1.289 5.796 522 2HZ LYS 70 2HZ LYS 70 -1.979 -0.477 5.346 523 3HZ LYS 70 3HZ LYS 70 -2.074 -1.234 6.855 524 H LYS 71 H LYS 71 -4.269 -6.683 2.326 525 HA LYS 71 HA LYS 71 -1.727 -7.898 2.142 526 1HB LYS 71 2HB LYS 71 -4.281 -8.553 3.278 527 2HB LYS 71 1HB LYS 71 -3.674 -9.929 2.367 528 1HG LYS 71 2HG LYS 71 -1.684 -10.013 3.675 529 2HG LYS 71 1HG LYS 71 -2.075 -8.484 4.466 530 1HD LYS 71 2HD LYS 71 -3.762 -10.975 4.670 531 2HD LYS 71 1HD LYS 71 -2.538 -10.509 5.853 532 1HE LYS 71 2HE LYS 71 -3.874 -8.980 6.791 533 2HE LYS 71 1HE LYS 71 -4.401 -8.357 5.229 534 1HZ LYS 71 1HZ LYS 71 -6.197 -9.357 6.591 535 2HZ LYS 71 2HZ LYS 71 -5.436 -10.859 6.442 536 3HZ LYS 71 3HZ LYS 71 -6.025 -10.071 5.067 537 H LYS 72 H LYS 72 -4.513 -7.775 0.140 538 HA LYS 72 HA LYS 72 -3.906 -9.869 -1.594 539 1HB LYS 72 2HB LYS 72 -5.363 -7.326 -2.293 540 2HB LYS 72 1HB LYS 72 -5.467 -8.860 -3.146 541 1HG LYS 72 2HG LYS 72 -6.319 -8.495 -0.288 542 2HG LYS 72 1HG LYS 72 -7.408 -8.321 -1.665 543 1HD LYS 72 2HD LYS 72 -7.354 -10.566 -2.164 544 2HD LYS 72 1HD LYS 72 -5.771 -10.801 -1.422 545 1HE LYS 72 2HE LYS 72 -7.352 -11.873 -0.017 546 2HE LYS 72 1HE LYS 72 -6.870 -10.387 0.801 547 1HZ LYS 72 1HZ LYS 72 -9.398 -11.118 0.472 548 2HZ LYS 72 2HZ LYS 72 -9.195 -10.198 -0.933 549 3HZ LYS 72 3HZ LYS 72 -8.914 -9.500 0.582 550 H ALA 73 H ALA 73 -2.891 -6.595 -1.367 551 HA ALA 73 HA ALA 73 -1.359 -6.732 -3.812 552 1HB ALA 73 1HB ALA 73 -1.800 -4.468 -1.882 553 2HB ALA 73 2HB ALA 73 -2.601 -4.703 -3.435 554 3HB ALA 73 3HB ALA 73 -0.874 -4.353 -3.379 555 H SER 74 H SER 74 -0.935 -7.410 -0.526 556 HA SER 74 HA SER 74 0.901 -8.152 0.604 557 1HB SER 74 2HB SER 74 1.739 -8.431 -2.003 558 2HB SER 74 1HB SER 74 2.971 -7.368 -1.323 559 HG SER 74 HG SER 74 2.204 -9.947 -0.446 560 H LEU 75 H LEU 75 0.000 -5.209 0.104 561 HA LEU 75 HA LEU 75 2.348 -3.703 0.816 562 1HB LEU 75 2HB LEU 75 -0.540 -2.829 0.867 563 2HB LEU 75 1HB LEU 75 0.869 -1.789 0.877 564 HG LEU 75 HG LEU 75 -0.288 -3.364 -1.393 565 1HD1 LEU 75 1HD1 LEU 75 -0.258 -1.290 -2.539 566 2HD1 LEU 75 2HD1 LEU 75 0.755 -0.545 -1.301 567 3HD1 LEU 75 3HD1 LEU 75 -0.915 -0.975 -0.932 568 1HD2 LEU 75 1HD2 LEU 75 1.856 -4.045 -1.756 569 2HD2 LEU 75 2HD2 LEU 75 2.562 -2.647 -0.944 570 3HD2 LEU 75 3HD2 LEU 75 1.897 -2.480 -2.568 571 H PHE 76 H PHE 76 0.307 -5.707 2.500 572 HA PHE 76 HA PHE 76 -0.101 -4.326 4.904 573 1HB PHE 76 2HB PHE 76 -1.113 -6.572 4.020 574 2HB PHE 76 1HB PHE 76 0.270 -7.299 4.830 575 HD1 PHE 76 1HD PHE 76 0.573 -5.887 7.281 576 HD2 PHE 76 2HD PHE 76 -3.021 -6.920 5.244 577 HE1 PHE 76 1HE PHE 76 -0.650 -5.833 9.414 578 HE2 PHE 76 2HE PHE 76 -4.244 -6.869 7.373 579 HZ PHE 76 HZ PHE 76 -3.064 -6.322 9.461 Start of MODEL 7 1 HA PRO 9 HA PRO 9 1.546 14.122 7.587 2 1HB PRO 9 2HB PRO 9 1.537 15.948 5.424 3 2HB PRO 9 1HB PRO 9 1.479 16.325 7.151 4 1HG PRO 9 2HG PRO 9 3.808 16.250 5.307 5 2HG PRO 9 1HG PRO 9 3.521 17.283 6.719 6 1HD PRO 9 2HD PRO 9 5.263 15.269 6.844 7 2HD PRO 9 1HD PRO 9 4.204 15.632 8.220 8 H GLY 10 H GLY 10 2.814 14.445 4.264 9 1HA GLY 10 2HA GLY 10 1.057 12.202 3.488 10 2HA GLY 10 1HA GLY 10 1.149 13.670 2.528 11 H LEU 11 H LEU 11 2.267 10.570 2.810 12 HA LEU 11 HA LEU 11 4.943 10.863 1.962 13 1HB LEU 11 2HB LEU 11 3.335 8.424 1.345 14 2HB LEU 11 1HB LEU 11 5.020 8.548 1.813 15 HG LEU 11 HG LEU 11 3.483 9.529 3.988 16 1HD1 LEU 11 1HD1 LEU 11 1.834 7.907 2.571 17 2HD1 LEU 11 2HD1 LEU 11 1.750 8.147 4.316 18 3HD1 LEU 11 3HD1 LEU 11 2.605 6.752 3.657 19 1HD2 LEU 11 1HD2 LEU 11 5.391 7.361 3.406 20 2HD2 LEU 11 2HD2 LEU 11 4.371 7.131 4.826 21 3HD2 LEU 11 3HD2 LEU 11 5.393 8.562 4.696 22 H GLN 12 H GLN 12 5.851 10.557 -0.107 23 HA GLN 12 HA GLN 12 4.281 11.582 -2.231 24 1HB GLN 12 2HB GLN 12 6.383 12.359 -2.524 25 2HB GLN 12 1HB GLN 12 7.105 11.002 -1.680 26 1HG GLN 12 2HG GLN 12 7.950 10.709 -3.762 27 2HG GLN 12 1HG GLN 12 6.505 9.713 -3.868 28 1HE2 GLN 12 1HE2 GLN 12 5.270 10.031 -5.584 29 2HE2 GLN 12 2HE2 GLN 12 5.227 11.456 -6.557 30 H ILE 13 H ILE 13 3.606 10.554 -4.107 31 HA ILE 13 HA ILE 13 2.872 7.836 -3.866 32 HB ILE 13 HB ILE 13 2.846 9.634 -6.281 33 1HG1 ILE 13 2HG1 ILE 13 1.571 10.309 -4.156 34 2HG1 ILE 13 1HG1 ILE 13 0.685 10.286 -5.673 35 1HG2 ILE 13 1HG2 ILE 13 1.970 6.846 -5.880 36 2HG2 ILE 13 2HG2 ILE 13 2.432 7.703 -7.351 37 3HG2 ILE 13 3HG2 ILE 13 0.818 7.915 -6.681 38 1HD1 ILE 13 1HD1 ILE 13 0.558 7.749 -4.279 39 2HD1 ILE 13 2HD1 ILE 13 -0.740 8.756 -4.919 40 3HD1 ILE 13 3HD1 ILE 13 -0.073 9.087 -3.320 41 H TYR 14 H TYR 14 3.718 6.022 -4.652 42 HA TYR 14 HA TYR 14 6.108 6.186 -6.357 43 1HB TYR 14 2HB TYR 14 5.573 4.179 -4.155 44 2HB TYR 14 1HB TYR 14 6.984 4.204 -5.203 45 HD1 TYR 14 1HD TYR 14 7.200 7.329 -5.097 46 HD2 TYR 14 2HD TYR 14 6.870 4.300 -2.133 47 HE1 TYR 14 1HE TYR 14 8.373 8.780 -3.492 48 HE2 TYR 14 2HE TYR 14 8.037 5.739 -0.519 49 HH TYR 14 HH TYR 14 9.561 7.634 -0.507 50 HA PRO 15 HA PRO 15 3.792 3.532 -9.027 51 1HB PRO 15 2HB PRO 15 5.767 2.456 -10.517 52 2HB PRO 15 1HB PRO 15 5.298 4.154 -10.658 53 1HG PRO 15 2HG PRO 15 7.591 2.941 -9.161 54 2HG PRO 15 1HG PRO 15 7.564 4.391 -10.181 55 1HD PRO 15 2HD PRO 15 7.455 4.485 -7.463 56 2HD PRO 15 1HD PRO 15 6.700 5.706 -8.505 57 H TYR 16 H TYR 16 3.963 2.380 -6.548 58 HA TYR 16 HA TYR 16 3.865 0.385 -5.453 59 1HB TYR 16 2HB TYR 16 2.330 -0.083 -7.355 60 2HB TYR 16 1HB TYR 16 3.683 -0.800 -8.217 61 HD1 TYR 16 1HD TYR 16 1.714 -1.142 -5.064 62 HD2 TYR 16 2HD TYR 16 4.147 -3.080 -7.968 63 HE1 TYR 16 1HE TYR 16 1.189 -3.313 -4.042 64 HE2 TYR 16 2HE TYR 16 3.630 -5.253 -6.954 65 HH TYR 16 HH TYR 16 2.390 -5.639 -3.959 66 H GLU 17 H GLU 17 5.619 -0.538 -8.334 67 HA GLU 17 HA GLU 17 7.292 -2.423 -7.305 68 1HB GLU 17 2HB GLU 17 8.768 -2.012 -9.199 69 2HB GLU 17 1HB GLU 17 7.084 -1.955 -9.700 70 1HG GLU 17 2HG GLU 17 7.601 -0.043 -10.699 71 2HG GLU 17 1HG GLU 17 7.627 0.665 -9.084 72 H MET 18 H MET 18 7.518 1.014 -6.953 73 HA MET 18 HA MET 18 10.231 1.192 -6.234 74 1HB MET 18 2HB MET 18 7.988 2.948 -6.380 75 2HB MET 18 1HB MET 18 8.756 3.165 -4.814 76 1HG MET 18 2HG MET 18 10.820 3.062 -6.725 77 2HG MET 18 1HG MET 18 9.571 4.119 -7.376 78 1HE MET 18 1HE MET 18 9.411 6.143 -7.162 79 2HE MET 18 2HE MET 18 10.915 6.956 -6.728 80 3HE MET 18 3HE MET 18 9.491 7.129 -5.702 81 H LEU 19 H LEU 19 7.409 0.163 -4.564 82 HA LEU 19 HA LEU 19 8.825 0.081 -1.993 83 1HB LEU 19 2HB LEU 19 5.908 -0.399 -2.567 84 2HB LEU 19 1HB LEU 19 6.647 -0.209 -0.986 85 HG LEU 19 HG LEU 19 7.026 2.069 -2.813 86 1HD1 LEU 19 1HD1 LEU 19 4.909 2.560 -3.280 87 2HD1 LEU 19 2HD1 LEU 19 4.410 2.266 -1.616 88 3HD1 LEU 19 3HD1 LEU 19 4.489 0.930 -2.760 89 1HD2 LEU 19 1HD2 LEU 19 7.038 1.502 -0.024 90 2HD2 LEU 19 2HD2 LEU 19 5.829 2.747 -0.337 91 3HD2 LEU 19 3HD2 LEU 19 7.497 2.989 -0.850 92 H VAL 20 H VAL 20 7.424 -1.850 -4.509 93 HA VAL 20 HA VAL 20 6.963 -4.273 -3.315 94 HB VAL 20 HB VAL 20 8.116 -3.698 -6.043 95 1HG1 VAL 20 1HG1 VAL 20 7.086 -6.293 -4.913 96 2HG1 VAL 20 2HG1 VAL 20 8.706 -5.965 -5.525 97 3HG1 VAL 20 3HG1 VAL 20 7.331 -5.990 -6.631 98 1HG2 VAL 20 1HG2 VAL 20 5.798 -2.884 -5.325 99 2HG2 VAL 20 2HG2 VAL 20 5.336 -4.585 -5.369 100 3HG2 VAL 20 3HG2 VAL 20 5.921 -3.792 -6.832 101 H VAL 21 H VAL 21 8.197 -5.435 -2.025 102 HA VAL 21 HA VAL 21 11.059 -5.579 -2.570 103 HB VAL 21 HB VAL 21 9.645 -5.886 0.076 104 1HG1 VAL 21 1HG1 VAL 21 12.231 -6.812 -0.803 105 2HG1 VAL 21 2HG1 VAL 21 11.403 -7.085 0.729 106 3HG1 VAL 21 3HG1 VAL 21 12.391 -5.642 0.506 107 1HG2 VAL 21 1HG2 VAL 21 10.326 -3.576 -1.215 108 2HG2 VAL 21 2HG2 VAL 21 11.728 -3.858 -0.188 109 3HG2 VAL 21 3HG2 VAL 21 10.119 -3.748 0.526 110 H THR 22 H THR 22 11.585 -7.436 -3.483 111 HA THR 22 HA THR 22 10.004 -9.706 -3.635 112 HB THR 22 HB THR 22 12.739 -10.447 -3.846 113 HG1 THR 22 1HG THR 22 12.141 -8.084 -5.272 114 1HG2 THR 22 1HG2 THR 22 10.394 -10.570 -5.409 115 2HG2 THR 22 2HG2 THR 22 11.921 -11.423 -5.642 116 3HG2 THR 22 3HG2 THR 22 11.667 -9.847 -6.391 117 H ASN 23 H ASN 23 11.693 -11.856 -2.991 118 HA ASN 23 HA ASN 23 10.913 -12.610 -0.503 119 1HB ASN 23 2HB ASN 23 13.553 -13.345 -1.784 120 2HB ASN 23 1HB ASN 23 12.724 -14.255 -0.525 121 1HD2 ASN 23 1HD2 ASN 23 12.612 -16.087 -1.817 122 2HD2 ASN 23 2HD2 ASN 23 11.515 -16.208 -3.146 123 H LYS 24 H LYS 24 12.248 -13.007 1.473 124 HA LYS 24 HA LYS 24 12.978 -10.682 2.721 125 1HB LYS 24 2HB LYS 24 14.088 -13.423 3.333 126 2HB LYS 24 1HB LYS 24 14.022 -12.058 4.439 127 1HG LYS 24 2HG LYS 24 11.685 -13.573 3.300 128 2HG LYS 24 1HG LYS 24 12.260 -13.597 4.967 129 1HD LYS 24 2HD LYS 24 11.858 -10.905 4.421 130 2HD LYS 24 1HD LYS 24 10.500 -11.714 3.636 131 1HE LYS 24 2HE LYS 24 9.626 -12.457 5.605 132 2HE LYS 24 1HE LYS 24 11.202 -12.573 6.386 133 1HZ LYS 24 1HZ LYS 24 9.697 -10.771 7.226 134 2HZ LYS 24 2HZ LYS 24 9.915 -9.982 5.747 135 3HZ LYS 24 3HZ LYS 24 11.241 -10.259 6.758 136 H GLY 25 H GLY 25 14.792 -9.479 2.967 137 1HA GLY 25 2HA GLY 25 17.387 -10.445 2.181 138 2HA GLY 25 1HA GLY 25 16.716 -9.279 1.051 139 H ARG 26 H ARG 26 16.024 -9.103 4.461 140 HA ARG 26 HA ARG 26 16.291 -7.364 5.917 141 1HB ARG 26 2HB ARG 26 19.041 -8.133 5.022 142 2HB ARG 26 1HB ARG 26 18.828 -6.842 6.198 143 1HG ARG 26 2HG ARG 26 18.036 -9.731 6.466 144 2HG ARG 26 1HG ARG 26 19.249 -8.849 7.395 145 1HD ARG 26 2HD ARG 26 17.336 -7.355 8.166 146 2HD ARG 26 1HD ARG 26 16.257 -8.577 7.494 147 HE ARG 26 HE ARG 26 18.163 -9.733 9.259 148 1HH1 ARG 26 1HH1 ARG 26 15.188 -7.911 9.196 149 2HH1 ARG 26 2HH1 ARG 26 14.657 -8.485 10.740 150 1HH2 ARG 26 1HH2 ARG 26 17.466 -10.490 11.291 151 2HH2 ARG 26 2HH2 ARG 26 15.951 -9.947 11.932 152 H THR 27 H THR 27 15.690 -6.511 3.200 153 HA THR 27 HA THR 27 17.278 -4.175 2.720 154 HB THR 27 HB THR 27 16.600 -4.875 0.685 155 HG1 THR 27 1HG THR 27 15.753 -2.808 0.847 156 1HG2 THR 27 1HG2 THR 27 14.353 -5.801 0.157 157 2HG2 THR 27 2HG2 THR 27 13.996 -5.772 1.883 158 3HG2 THR 27 3HG2 THR 27 15.303 -6.785 1.270 159 H LYS 28 H LYS 28 16.317 -2.050 2.464 160 HA LYS 28 HA LYS 28 14.309 -1.540 4.563 161 1HB LYS 28 2HB LYS 28 16.648 0.111 3.621 162 2HB LYS 28 1HB LYS 28 15.356 0.783 4.608 163 1HG LYS 28 2HG LYS 28 16.849 -1.655 5.491 164 2HG LYS 28 1HG LYS 28 17.501 -0.038 5.761 165 1HD LYS 28 2HD LYS 28 15.051 0.376 6.699 166 2HD LYS 28 1HD LYS 28 15.131 -1.366 6.968 167 1HE LYS 28 2HE LYS 28 16.303 -1.004 8.818 168 2HE LYS 28 1HE LYS 28 17.584 -0.281 7.847 169 1HZ LYS 28 1HZ LYS 28 15.228 1.198 8.885 170 2HZ LYS 28 2HZ LYS 28 16.559 1.858 8.077 171 3HZ LYS 28 3HZ LYS 28 16.753 1.189 9.619 172 H LEU 29 H LEU 29 12.664 -0.054 4.176 173 HA LEU 29 HA LEU 29 11.875 0.186 1.441 174 1HB LEU 29 2HB LEU 29 10.638 0.765 4.082 175 2HB LEU 29 1HB LEU 29 9.974 1.569 2.668 176 HG LEU 29 HG LEU 29 10.132 -1.404 3.161 177 1HD1 LEU 29 1HD1 LEU 29 8.044 0.665 3.373 178 2HD1 LEU 29 2HD1 LEU 29 8.231 -0.859 4.244 179 3HD1 LEU 29 3HD1 LEU 29 7.561 -0.851 2.613 180 1HD2 LEU 29 1HD2 LEU 29 8.826 -1.492 0.982 181 2HD2 LEU 29 2HD2 LEU 29 10.557 -1.181 0.858 182 3HD2 LEU 29 3HD2 LEU 29 9.407 0.146 0.691 183 HA PRO 30 HA PRO 30 12.969 4.277 0.243 184 1HB PRO 30 2HB PRO 30 10.083 5.044 0.363 185 2HB PRO 30 1HB PRO 30 11.257 5.286 -0.937 186 1HG PRO 30 2HG PRO 30 9.434 3.364 -1.118 187 2HG PRO 30 1HG PRO 30 11.096 3.086 -1.668 188 1HD PRO 30 2HD PRO 30 9.729 2.125 0.801 189 2HD PRO 30 1HD PRO 30 10.961 1.323 -0.194 190 HA PRO 31 HA PRO 31 13.376 6.640 3.966 191 1HB PRO 31 2HB PRO 31 13.442 9.014 2.181 192 2HB PRO 31 1HB PRO 31 14.616 8.480 3.389 193 1HG PRO 31 2HG PRO 31 15.110 8.191 0.786 194 2HG PRO 31 1HG PRO 31 15.596 6.947 1.954 195 1HD PRO 31 2HD PRO 31 13.292 6.967 0.049 196 2HD PRO 31 1HD PRO 31 14.344 5.622 0.535 197 H GLY 32 H GLY 32 11.181 6.286 4.669 198 1HA GLY 32 2HA GLY 32 9.532 7.712 5.748 199 2HA GLY 32 1HA GLY 32 9.500 8.682 4.285 200 H VAL 33 H VAL 33 9.001 5.268 5.197 201 HA VAL 33 HA VAL 33 6.559 5.301 3.642 202 HB VAL 33 HB VAL 33 8.557 3.099 3.739 203 1HG1 VAL 33 1HG1 VAL 33 5.755 3.169 2.719 204 2HG1 VAL 33 2HG1 VAL 33 6.542 1.941 3.708 205 3HG1 VAL 33 3HG1 VAL 33 6.946 2.088 1.999 206 1HG2 VAL 33 1HG2 VAL 33 8.098 5.291 1.968 207 2HG2 VAL 33 2HG2 VAL 33 7.940 3.759 1.110 208 3HG2 VAL 33 3HG2 VAL 33 9.427 4.135 1.984 209 H ASP 34 H ASP 34 4.902 3.977 4.269 210 HA ASP 34 HA ASP 34 4.987 3.291 7.113 211 1HB ASP 34 2HB ASP 34 3.316 4.943 5.713 212 2HB ASP 34 1HB ASP 34 2.376 3.450 5.773 213 H ARG 35 H ARG 35 5.633 1.173 7.110 214 HA ARG 35 HA ARG 35 5.015 -0.818 5.300 215 1HB ARG 35 2HB ARG 35 5.543 -2.417 7.070 216 2HB ARG 35 1HB ARG 35 6.682 -1.079 7.076 217 1HG ARG 35 2HG ARG 35 6.271 -0.800 9.230 218 2HG ARG 35 1HG ARG 35 4.620 -0.333 8.820 219 1HD ARG 35 2HD ARG 35 3.779 -2.252 9.598 220 2HD ARG 35 1HD ARG 35 5.009 -3.216 8.783 221 HE ARG 35 HE ARG 35 5.975 -1.850 11.120 222 1HH1 ARG 35 1HH1 ARG 35 4.387 -4.727 9.940 223 2HH1 ARG 35 2HH1 ARG 35 4.862 -5.695 11.296 224 1HH2 ARG 35 1HH2 ARG 35 6.601 -3.123 12.902 225 2HH2 ARG 35 2HH2 ARG 35 6.118 -4.785 12.977 226 H MET 36 H MET 36 3.065 0.483 7.883 227 HA MET 36 HA MET 36 1.017 -1.524 7.437 228 1HB MET 36 2HB MET 36 1.777 0.203 9.679 229 2HB MET 36 1HB MET 36 0.043 0.075 9.424 230 1HG MET 36 2HG MET 36 0.735 -2.518 9.261 231 2HG MET 36 1HG MET 36 1.974 -1.931 10.368 232 1HE MET 36 1HE MET 36 0.853 0.299 11.715 233 2HE MET 36 2HE MET 36 1.100 -0.816 13.060 234 3HE MET 36 3HE MET 36 -0.452 -0.001 12.864 235 H ARG 37 H ARG 37 1.801 1.111 5.882 236 HA ARG 37 HA ARG 37 -0.909 1.696 5.091 237 1HB ARG 37 2HB ARG 37 0.275 3.314 7.059 238 2HB ARG 37 1HB ARG 37 0.387 4.239 5.569 239 1HG ARG 37 2HG ARG 37 -1.641 4.868 6.570 240 2HG ARG 37 1HG ARG 37 -2.078 3.779 5.251 241 1HD ARG 37 2HD ARG 37 -2.582 2.026 6.704 242 2HD ARG 37 1HD ARG 37 -1.676 2.745 8.035 243 HE ARG 37 HE ARG 37 -4.403 3.286 7.295 244 1HH1 ARG 37 1HH1 ARG 37 -1.580 4.519 8.937 245 2HH1 ARG 37 2HH1 ARG 37 -2.486 5.592 9.951 246 1HH2 ARG 37 1HH2 ARG 37 -5.595 4.695 8.627 247 2HH2 ARG 37 2HH2 ARG 37 -4.765 5.692 9.774 248 H LEU 38 H LEU 38 0.975 0.465 3.647 249 HA LEU 38 HA LEU 38 2.654 2.113 2.122 250 1HB LEU 38 2HB LEU 38 1.841 -0.653 2.210 251 2HB LEU 38 1HB LEU 38 1.944 -0.102 0.556 252 HG LEU 38 HG LEU 38 4.058 -0.953 0.900 253 1HD1 LEU 38 1HD1 LEU 38 4.294 1.914 1.776 254 2HD1 LEU 38 2HD1 LEU 38 4.283 1.327 0.114 255 3HD1 LEU 38 3HD1 LEU 38 5.620 0.913 1.187 256 1HD2 LEU 38 1HD2 LEU 38 3.501 -0.289 3.693 257 2HD2 LEU 38 2HD2 LEU 38 5.187 -0.075 3.219 258 3HD2 LEU 38 3HD2 LEU 38 4.402 -1.639 3.002 259 H GLU 39 H GLU 39 -0.663 1.297 1.882 260 HA GLU 39 HA GLU 39 -1.239 1.790 -0.778 261 1HB GLU 39 2HB GLU 39 -2.794 1.982 1.749 262 2HB GLU 39 1HB GLU 39 -3.487 2.714 0.308 263 1HG GLU 39 2HG GLU 39 -4.371 0.616 0.183 264 2HG GLU 39 1HG GLU 39 -2.907 0.408 -0.775 265 H ARG 40 H ARG 40 -0.438 4.025 1.741 266 HA ARG 40 HA ARG 40 -1.443 6.348 0.481 267 1HB ARG 40 2HB ARG 40 0.727 6.088 2.561 268 2HB ARG 40 1HB ARG 40 -0.083 7.583 2.112 269 1HG ARG 40 2HG ARG 40 -1.920 5.458 2.897 270 2HG ARG 40 1HG ARG 40 -0.797 5.936 4.173 271 1HD ARG 40 2HD ARG 40 -2.345 7.521 4.579 272 2HD ARG 40 1HD ARG 40 -1.539 8.359 3.252 273 HE ARG 40 HE ARG 40 -3.521 6.722 2.164 274 1HH1 ARG 40 1HH1 ARG 40 -3.266 9.546 4.198 275 2HH1 ARG 40 2HH1 ARG 40 -4.795 10.194 3.702 276 1HH2 ARG 40 1HH2 ARG 40 -5.530 7.573 1.510 277 2HH2 ARG 40 2HH2 ARG 40 -6.080 9.074 2.178 278 H HIS 41 H HIS 41 1.020 4.334 -0.384 279 HA HIS 41 HA HIS 41 2.638 6.459 -1.594 280 1HB HIS 41 2HB HIS 41 3.194 3.544 -1.062 281 2HB HIS 41 1HB HIS 41 4.250 4.552 -2.044 282 HD1 HIS 41 1HD HIS 41 5.535 6.471 -0.788 283 HD2 HIS 41 2HD HIS 41 3.437 3.864 1.663 284 HE1 HIS 41 1HE HIS 41 6.411 6.875 1.535 285 HE2 HIS 41 2HE HIS 41 4.928 5.475 3.011 286 H LEU 42 H LEU 42 0.727 3.588 -2.342 287 HA LEU 42 HA LEU 42 1.338 3.248 -5.010 288 1HB LEU 42 2HB LEU 42 -0.873 2.605 -3.199 289 2HB LEU 42 1HB LEU 42 -1.330 2.709 -4.877 290 HG LEU 42 HG LEU 42 0.467 0.743 -3.535 291 1HD1 LEU 42 1HD1 LEU 42 -1.951 0.771 -5.267 292 2HD1 LEU 42 2HD1 LEU 42 -1.652 -0.114 -3.765 293 3HD1 LEU 42 3HD1 LEU 42 -0.907 -0.654 -5.272 294 1HD2 LEU 42 1HD2 LEU 42 0.846 1.887 -6.220 295 2HD2 LEU 42 2HD2 LEU 42 0.770 0.128 -6.168 296 3HD2 LEU 42 3HD2 LEU 42 1.970 0.987 -5.203 297 H SER 43 H SER 43 0.750 4.193 -6.864 298 HA SER 43 HA SER 43 -0.439 6.796 -6.759 299 1HB SER 43 2HB SER 43 1.147 5.377 -8.609 300 2HB SER 43 1HB SER 43 -0.372 5.777 -9.413 301 HG SER 43 HG SER 43 0.007 7.969 -8.624 302 H ALA 44 H ALA 44 -2.312 7.340 -8.107 303 HA ALA 44 HA ALA 44 -4.536 5.804 -7.398 304 1HB ALA 44 1HB ALA 44 -4.379 7.769 -9.675 305 2HB ALA 44 2HB ALA 44 -4.588 8.227 -7.983 306 3HB ALA 44 3HB ALA 44 -5.831 7.278 -8.802 307 H GLU 45 H GLU 45 -2.500 5.770 -10.206 308 HA GLU 45 HA GLU 45 -4.163 4.121 -11.774 309 1HB GLU 45 2HB GLU 45 -1.324 5.053 -11.976 310 2HB GLU 45 1HB GLU 45 -1.921 3.796 -13.052 311 1HG GLU 45 2HG GLU 45 -3.773 5.396 -13.682 312 2HG GLU 45 1HG GLU 45 -2.862 6.637 -12.823 313 H ASP 46 H ASP 46 -1.914 3.626 -9.222 314 HA ASP 46 HA ASP 46 -1.560 0.865 -9.914 315 1HB ASP 46 2HB ASP 46 -0.368 2.540 -7.718 316 2HB ASP 46 1HB ASP 46 -0.132 0.793 -7.818 317 H PHE 47 H PHE 47 -2.973 2.794 -7.265 318 HA PHE 47 HA PHE 47 -3.794 0.597 -5.743 319 1HB PHE 47 2HB PHE 47 -3.889 2.875 -4.852 320 2HB PHE 47 1HB PHE 47 -5.148 3.280 -6.019 321 HD1 PHE 47 1HD PHE 47 -4.466 2.060 -2.764 322 HD2 PHE 47 2HD PHE 47 -7.300 1.879 -5.933 323 HE1 PHE 47 1HE PHE 47 -6.175 1.254 -1.191 324 HE2 PHE 47 2HE PHE 47 -9.008 1.080 -4.368 325 HZ PHE 47 HZ PHE 47 -8.454 0.767 -1.998 326 H SER 48 H SER 48 -5.523 2.450 -8.113 327 HA SER 48 HA SER 48 -7.882 1.041 -8.196 328 1HB SER 48 2HB SER 48 -7.266 3.239 -9.380 329 2HB SER 48 1HB SER 48 -6.678 2.206 -10.682 330 HG SER 48 HG SER 48 -8.850 1.230 -10.594 331 H ARG 49 H ARG 49 -4.853 0.284 -9.672 332 HA ARG 49 HA ARG 49 -5.999 -1.936 -11.090 333 1HB ARG 49 2HB ARG 49 -3.554 -0.367 -11.334 334 2HB ARG 49 1HB ARG 49 -3.310 -2.092 -11.568 335 1HG ARG 49 2HG ARG 49 -4.553 -2.153 -13.483 336 2HG ARG 49 1HG ARG 49 -5.552 -0.779 -13.009 337 1HD ARG 49 2HD ARG 49 -4.149 -0.080 -14.811 338 2HD ARG 49 1HD ARG 49 -3.563 0.688 -13.338 339 HE ARG 49 HE ARG 49 -2.084 -1.598 -13.557 340 1HH1 ARG 49 1HH1 ARG 49 -2.686 1.154 -15.618 341 2HH1 ARG 49 2HH1 ARG 49 -1.138 1.072 -16.390 342 1HH2 ARG 49 1HH2 ARG 49 -0.048 -1.707 -14.571 343 2HH2 ARG 49 2HH2 ARG 49 0.360 -0.553 -15.797 344 H VAL 50 H VAL 50 -4.309 -1.263 -8.258 345 HA VAL 50 HA VAL 50 -3.219 -3.864 -7.856 346 HB VAL 50 HB VAL 50 -3.253 -1.330 -6.295 347 1HG1 VAL 50 1HG1 VAL 50 -1.875 -3.663 -5.117 348 2HG1 VAL 50 2HG1 VAL 50 -3.603 -3.516 -4.828 349 3HG1 VAL 50 3HG1 VAL 50 -2.510 -2.226 -4.335 350 1HG2 VAL 50 1HG2 VAL 50 -1.267 -1.142 -7.186 351 2HG2 VAL 50 2HG2 VAL 50 -1.513 -2.631 -8.077 352 3HG2 VAL 50 3HG2 VAL 50 -0.744 -2.661 -6.489 353 H PHE 51 H PHE 51 -5.842 -1.946 -6.423 354 HA PHE 51 HA PHE 51 -6.772 -4.372 -5.075 355 1HB PHE 51 2HB PHE 51 -7.443 -1.492 -4.451 356 2HB PHE 51 1HB PHE 51 -7.937 -2.901 -3.516 357 HD1 PHE 51 1HD PHE 51 -6.131 -4.328 -2.468 358 HD2 PHE 51 2HD PHE 51 -5.394 -0.437 -4.035 359 HE1 PHE 51 1HE PHE 51 -4.056 -4.196 -1.159 360 HE2 PHE 51 2HE PHE 51 -3.327 -0.292 -2.708 361 HZ PHE 51 HZ PHE 51 -2.644 -2.181 -1.277 362 H ALA 52 H ALA 52 -7.361 -2.800 -7.843 363 HA ALA 52 HA ALA 52 -9.109 -2.578 -9.273 364 1HB ALA 52 1HB ALA 52 -8.958 -5.106 -8.417 365 2HB ALA 52 2HB ALA 52 -10.104 -4.560 -9.646 366 3HB ALA 52 3HB ALA 52 -10.624 -4.735 -7.967 367 H MET 53 H MET 53 -9.233 -0.864 -7.096 368 HA MET 53 HA MET 53 -12.050 -0.307 -7.048 369 1HB MET 53 2HB MET 53 -12.333 -1.301 -5.054 370 2HB MET 53 1HB MET 53 -10.611 -1.392 -4.753 371 1HG MET 53 2HG MET 53 -10.789 1.081 -4.119 372 2HG MET 53 1HG MET 53 -12.526 0.802 -4.081 373 1HE MET 53 1HE MET 53 -9.254 -0.829 -3.174 374 2HE MET 53 2HE MET 53 -10.137 -2.291 -2.740 375 3HE MET 53 3HE MET 53 -9.403 -1.298 -1.482 376 H SER 54 H SER 54 -12.315 1.920 -5.683 377 HA SER 54 HA SER 54 -10.498 3.696 -7.016 378 1HB SER 54 2HB SER 54 -11.948 5.477 -6.273 379 2HB SER 54 1HB SER 54 -12.943 4.149 -6.870 380 HG SER 54 HG SER 54 -13.841 4.691 -4.963 381 HA PRO 55 HA PRO 55 -7.431 4.118 -3.858 382 1HB PRO 55 2HB PRO 55 -7.144 6.903 -4.327 383 2HB PRO 55 1HB PRO 55 -6.139 5.610 -4.984 384 1HG PRO 55 2HG PRO 55 -8.449 7.024 -6.221 385 2HG PRO 55 1HG PRO 55 -7.000 6.351 -6.989 386 1HD PRO 55 2HD PRO 55 -9.352 5.142 -7.207 387 2HD PRO 55 1HD PRO 55 -7.866 4.192 -6.981 388 H GLU 56 H GLU 56 -9.996 6.406 -4.291 389 HA GLU 56 HA GLU 56 -10.022 7.503 -1.726 390 1HB GLU 56 2HB GLU 56 -12.380 8.148 -2.473 391 2HB GLU 56 1HB GLU 56 -11.034 8.818 -3.368 392 1HG GLU 56 2HG GLU 56 -11.394 7.228 -5.140 393 2HG GLU 56 1HG GLU 56 -12.643 6.417 -4.195 394 H GLU 57 H GLU 57 -11.832 4.907 -3.304 395 HA GLU 57 HA GLU 57 -13.711 4.313 -1.473 396 1HB GLU 57 2HB GLU 57 -12.217 2.780 -3.448 397 2HB GLU 57 1HB GLU 57 -12.865 1.824 -2.140 398 1HG GLU 57 2HG GLU 57 -14.698 3.748 -3.418 399 2HG GLU 57 1HG GLU 57 -14.219 2.339 -4.365 400 H PHE 58 H PHE 58 -10.377 3.575 -1.435 401 HA PHE 58 HA PHE 58 -10.285 2.056 0.932 402 1HB PHE 58 2HB PHE 58 -8.479 2.701 -1.047 403 2HB PHE 58 1HB PHE 58 -7.860 3.577 0.348 404 HD1 PHE 58 1HD PHE 58 -6.239 2.462 1.523 405 HD2 PHE 58 2HD PHE 58 -9.347 0.229 -0.303 406 HE1 PHE 58 1HE PHE 58 -5.247 0.395 2.381 407 HE2 PHE 58 2HE PHE 58 -8.359 -1.850 0.548 408 HZ PHE 58 HZ PHE 58 -6.310 -1.758 1.890 409 H GLY 59 H GLY 59 -9.709 5.478 0.201 410 1HA GLY 59 2HA GLY 59 -8.927 6.319 2.745 411 2HA GLY 59 1HA GLY 59 -9.758 7.326 1.569 412 H LYS 60 H LYS 60 -12.022 5.230 1.710 413 HA LYS 60 HA LYS 60 -13.277 6.396 4.024 414 1HB LYS 60 2HB LYS 60 -14.521 6.997 2.143 415 2HB LYS 60 1HB LYS 60 -14.353 5.403 1.427 416 1HG LYS 60 2HG LYS 60 -15.833 5.600 3.988 417 2HG LYS 60 1HG LYS 60 -16.609 6.241 2.541 418 1HD LYS 60 2HD LYS 60 -15.574 3.434 2.944 419 2HD LYS 60 1HD LYS 60 -17.263 3.934 2.860 420 1HE LYS 60 2HE LYS 60 -16.622 4.860 0.530 421 2HE LYS 60 1HE LYS 60 -15.216 3.804 0.677 422 1HZ LYS 60 1HZ LYS 60 -17.514 3.011 -0.365 423 2HZ LYS 60 2HZ LYS 60 -17.807 2.607 1.251 424 3HZ LYS 60 3HZ LYS 60 -16.468 1.957 0.448 425 H LEU 61 H LEU 61 -12.282 3.405 2.726 426 HA LEU 61 HA LEU 61 -13.984 1.597 3.939 427 1HB LEU 61 2HB LEU 61 -11.064 1.438 3.275 428 2HB LEU 61 1HB LEU 61 -11.920 0.084 3.966 429 HG LEU 61 HG LEU 61 -12.808 1.390 1.412 430 1HD1 LEU 61 1HD1 LEU 61 -11.386 -1.145 1.198 431 2HD1 LEU 61 2HD1 LEU 61 -10.376 0.199 1.714 432 3HD1 LEU 61 3HD1 LEU 61 -11.278 0.304 0.206 433 1HD2 LEU 61 1HD2 LEU 61 -13.337 -1.287 2.682 434 2HD2 LEU 61 2HD2 LEU 61 -13.843 -0.835 1.056 435 3HD2 LEU 61 3HD2 LEU 61 -14.489 0.027 2.453 436 H ALA 62 H ALA 62 -12.779 -0.068 5.595 437 HA ALA 62 HA ALA 62 -12.425 1.490 8.056 438 1HB ALA 62 1HB ALA 62 -12.895 -1.486 7.831 439 2HB ALA 62 2HB ALA 62 -14.205 -0.299 7.892 440 3HB ALA 62 3HB ALA 62 -13.093 -0.450 9.251 441 H LEU 63 H LEU 63 -11.102 -0.362 9.601 442 HA LEU 63 HA LEU 63 -8.439 -0.215 8.455 443 1HB LEU 63 2HB LEU 63 -9.414 0.162 11.014 444 2HB LEU 63 1HB LEU 63 -8.634 -1.405 11.104 445 HG LEU 63 HG LEU 63 -7.111 0.374 11.777 446 1HD1 LEU 63 1HD1 LEU 63 -6.525 -1.700 10.167 447 2HD1 LEU 63 2HD1 LEU 63 -5.319 -0.583 10.805 448 3HD1 LEU 63 3HD1 LEU 63 -5.950 -0.362 9.172 449 1HD2 LEU 63 1HD2 LEU 63 -6.327 1.748 9.599 450 2HD2 LEU 63 2HD2 LEU 63 -7.525 2.340 10.751 451 3HD2 LEU 63 3HD2 LEU 63 -8.048 1.572 9.251 452 H TRP 64 H TRP 64 -10.855 -2.489 9.206 453 HA TRP 64 HA TRP 64 -9.193 -4.777 9.086 454 1HB TRP 64 2HB TRP 64 -11.406 -6.004 9.125 455 2HB TRP 64 1HB TRP 64 -11.101 -4.946 10.499 456 HD1 TRP 64 HD TRP 64 -12.528 -2.606 10.568 457 HE1 TRP 64 1HE TRP 64 -14.825 -2.035 9.539 458 HE3 TRP 64 3HE TRP 64 -12.898 -6.391 7.193 459 HZ2 TRP 64 2HZ TRP 64 -16.561 -3.051 7.596 460 HZ3 TRP 64 3HZ TRP 64 -14.913 -6.539 5.780 461 HH2 TRP 64 HH TRP 64 -16.703 -4.887 5.986 462 H LYS 65 H LYS 65 -11.838 -3.575 7.015 463 HA LYS 65 HA LYS 65 -11.452 -5.409 4.961 464 1HB LYS 65 2HB LYS 65 -12.517 -3.531 3.515 465 2HB LYS 65 1HB LYS 65 -13.467 -4.255 4.799 466 1HG LYS 65 2HG LYS 65 -12.254 -2.133 6.045 467 2HG LYS 65 1HG LYS 65 -12.587 -1.528 4.426 468 1HD LYS 65 2HD LYS 65 -14.863 -2.986 5.304 469 2HD LYS 65 1HD LYS 65 -14.399 -1.874 6.589 470 1HE LYS 65 2HE LYS 65 -14.183 -0.276 4.407 471 2HE LYS 65 1HE LYS 65 -15.500 -1.337 3.917 472 1HZ LYS 65 1HZ LYS 65 -16.550 0.405 5.006 473 2HZ LYS 65 2HZ LYS 65 -15.379 0.503 6.223 474 3HZ LYS 65 3HZ LYS 65 -16.469 -0.790 6.202 475 H ARG 66 H ARG 66 -9.944 -2.334 5.657 476 HA ARG 66 HA ARG 66 -8.488 -2.012 3.283 477 1HB ARG 66 2HB ARG 66 -8.468 -0.938 6.023 478 2HB ARG 66 1HB ARG 66 -6.910 -0.904 5.224 479 1HG ARG 66 2HG ARG 66 -8.389 0.126 3.261 480 2HG ARG 66 1HG ARG 66 -9.384 0.608 4.636 481 1HD ARG 66 2HD ARG 66 -7.625 2.269 3.894 482 2HD ARG 66 1HD ARG 66 -7.619 1.842 5.606 483 HE ARG 66 HE ARG 66 -5.872 0.128 4.249 484 1HH1 ARG 66 1HH1 ARG 66 -6.133 3.492 5.143 485 2HH1 ARG 66 2HH1 ARG 66 -4.420 3.738 5.206 486 1HH2 ARG 66 1HH2 ARG 66 -3.618 0.451 4.330 487 2HH2 ARG 66 2HH2 ARG 66 -2.992 2.012 4.745 488 H ASN 67 H ASN 67 -7.819 -3.695 6.338 489 HA ASN 67 HA ASN 67 -5.177 -4.412 5.762 490 1HB ASN 67 2HB ASN 67 -7.245 -5.107 7.734 491 2HB ASN 67 1HB ASN 67 -6.037 -6.349 7.457 492 1HD2 ASN 67 1HD2 ASN 67 -6.669 -4.387 9.693 493 2HD2 ASN 67 2HD2 ASN 67 -5.138 -3.680 10.065 494 H GLU 68 H GLU 68 -8.266 -6.105 5.262 495 HA GLU 68 HA GLU 68 -7.158 -8.476 4.295 496 1HB GLU 68 2HB GLU 68 -9.859 -7.363 3.579 497 2HB GLU 68 1HB GLU 68 -9.370 -9.052 3.551 498 1HG GLU 68 2HG GLU 68 -8.894 -8.125 6.162 499 2HG GLU 68 1HG GLU 68 -10.482 -7.523 5.692 500 H LEU 69 H LEU 69 -7.871 -5.469 2.825 501 HA LEU 69 HA LEU 69 -7.600 -6.397 0.114 502 1HB LEU 69 2HB LEU 69 -7.933 -3.701 1.401 503 2HB LEU 69 1HB LEU 69 -7.617 -3.867 -0.323 504 HG LEU 69 HG LEU 69 -9.890 -5.323 0.971 505 1HD1 LEU 69 1HD1 LEU 69 -10.104 -2.583 -0.253 506 2HD1 LEU 69 2HD1 LEU 69 -10.043 -2.872 1.485 507 3HD1 LEU 69 3HD1 LEU 69 -11.376 -3.519 0.529 508 1HD2 LEU 69 1HD2 LEU 69 -8.767 -5.326 -1.551 509 2HD2 LEU 69 2HD2 LEU 69 -10.205 -4.315 -1.724 510 3HD2 LEU 69 3HD2 LEU 69 -10.352 -5.963 -1.107 511 H LYS 70 H LYS 70 -5.734 -4.232 2.211 512 HA LYS 70 HA LYS 70 -3.607 -3.738 0.536 513 1HB LYS 70 2HB LYS 70 -2.742 -2.684 2.328 514 2HB LYS 70 1HB LYS 70 -4.284 -3.034 3.069 515 1HG LYS 70 2HG LYS 70 -3.083 -5.248 3.796 516 2HG LYS 70 1HG LYS 70 -1.629 -4.283 3.537 517 1HD LYS 70 2HD LYS 70 -3.827 -3.060 5.110 518 2HD LYS 70 1HD LYS 70 -2.896 -4.349 5.876 519 1HE LYS 70 2HE LYS 70 -1.041 -3.080 6.052 520 2HE LYS 70 1HE LYS 70 -1.304 -2.297 4.495 521 1HZ LYS 70 1HZ LYS 70 -2.347 -0.588 5.452 522 2HZ LYS 70 2HZ LYS 70 -1.644 -1.120 6.894 523 3HZ LYS 70 3HZ LYS 70 -3.229 -1.568 6.512 524 H LYS 71 H LYS 71 -4.314 -6.567 2.432 525 HA LYS 71 HA LYS 71 -1.750 -7.728 2.116 526 1HB LYS 71 2HB LYS 71 -2.728 -8.694 3.935 527 2HB LYS 71 1HB LYS 71 -4.341 -8.555 3.260 528 1HG LYS 71 2HG LYS 71 -2.471 -10.516 2.044 529 2HG LYS 71 1HG LYS 71 -3.182 -10.889 3.615 530 1HD LYS 71 2HD LYS 71 -4.721 -10.169 1.119 531 2HD LYS 71 1HD LYS 71 -4.514 -11.801 1.759 532 1HE LYS 71 2HE LYS 71 -5.904 -9.500 3.133 533 2HE LYS 71 1HE LYS 71 -6.681 -10.899 2.393 534 1HZ LYS 71 1HZ LYS 71 -5.179 -12.202 4.037 535 2HZ LYS 71 2HZ LYS 71 -6.615 -11.500 4.590 536 3HZ LYS 71 3HZ LYS 71 -5.133 -10.740 4.886 537 H LYS 72 H LYS 72 -4.571 -7.535 0.209 538 HA LYS 72 HA LYS 72 -4.080 -9.747 -1.443 539 1HB LYS 72 2HB LYS 72 -5.978 -7.565 -1.359 540 2HB LYS 72 1HB LYS 72 -5.446 -7.881 -3.003 541 1HG LYS 72 2HG LYS 72 -6.700 -9.703 -3.139 542 2HG LYS 72 1HG LYS 72 -6.059 -10.336 -1.622 543 1HD LYS 72 2HD LYS 72 -7.851 -8.128 -1.136 544 2HD LYS 72 1HD LYS 72 -8.641 -9.374 -2.104 545 1HE LYS 72 2HE LYS 72 -8.295 -11.020 -0.463 546 2HE LYS 72 1HE LYS 72 -7.100 -10.039 0.385 547 1HZ LYS 72 1HZ LYS 72 -9.135 -8.434 0.630 548 2HZ LYS 72 2HZ LYS 72 -8.914 -9.721 1.704 549 3HZ LYS 72 3HZ LYS 72 -10.024 -9.861 0.435 550 H ALA 73 H ALA 73 -3.020 -6.489 -1.314 551 HA ALA 73 HA ALA 73 -1.627 -6.646 -3.835 552 1HB ALA 73 1HB ALA 73 -2.826 -4.601 -3.242 553 2HB ALA 73 2HB ALA 73 -1.101 -4.306 -3.466 554 3HB ALA 73 3HB ALA 73 -1.777 -4.401 -1.840 555 H SER 74 H SER 74 -1.049 -7.385 -0.585 556 HA SER 74 HA SER 74 0.816 -8.230 0.424 557 1HB SER 74 2HB SER 74 1.518 -8.529 -2.186 558 2HB SER 74 1HB SER 74 2.764 -7.407 -1.641 559 HG SER 74 HG SER 74 3.013 -8.968 0.172 560 H LEU 75 H LEU 75 -0.058 -5.278 0.120 561 HA LEU 75 HA LEU 75 2.376 -3.864 0.782 562 1HB LEU 75 2HB LEU 75 -0.477 -2.883 0.842 563 2HB LEU 75 1HB LEU 75 0.964 -1.890 0.903 564 HG LEU 75 HG LEU 75 -0.274 -3.290 -1.419 565 1HD1 LEU 75 1HD1 LEU 75 -0.095 -1.223 -2.480 566 2HD1 LEU 75 2HD1 LEU 75 1.140 -0.649 -1.357 567 3HD1 LEU 75 3HD1 LEU 75 -0.531 -0.818 -0.819 568 1HD2 LEU 75 1HD2 LEU 75 1.751 -4.209 -1.834 569 2HD2 LEU 75 2HD2 LEU 75 2.630 -2.983 -0.920 570 3HD2 LEU 75 3HD2 LEU 75 2.033 -2.614 -2.536 571 H PHE 76 H PHE 76 0.188 -5.763 2.461 572 HA PHE 76 HA PHE 76 -0.167 -4.427 4.873 573 1HB PHE 76 2HB PHE 76 -1.141 -6.689 4.011 574 2HB PHE 76 1HB PHE 76 0.271 -7.392 4.791 575 HD1 PHE 76 1HD PHE 76 -3.039 -6.986 5.262 576 HD2 PHE 76 2HD PHE 76 0.614 -6.083 7.255 577 HE1 PHE 76 1HE PHE 76 -4.219 -6.969 7.415 578 HE2 PHE 76 2HE PHE 76 -0.566 -6.060 9.411 579 HZ PHE 76 HZ PHE 76 -2.988 -6.504 9.493 Start of MODEL 8 1 HA PRO 9 HA PRO 9 1.317 14.339 6.149 2 1HB PRO 9 2HB PRO 9 2.679 11.789 6.377 3 2HB PRO 9 1HB PRO 9 3.152 13.367 7.017 4 1HG PRO 9 2HG PRO 9 2.314 11.312 8.595 5 2HG PRO 9 1HG PRO 9 2.098 13.020 9.018 6 1HD PRO 9 2HD PRO 9 0.119 11.096 7.832 7 2HD PRO 9 1HD PRO 9 -0.112 12.284 9.130 8 H GLY 10 H GLY 10 1.919 14.109 4.009 9 1HA GLY 10 2HA GLY 10 0.492 11.990 2.536 10 2HA GLY 10 1HA GLY 10 0.906 13.565 1.878 11 H LEU 11 H LEU 11 1.968 10.339 2.446 12 HA LEU 11 HA LEU 11 4.714 10.725 1.914 13 1HB LEU 11 2HB LEU 11 3.308 8.152 1.344 14 2HB LEU 11 1HB LEU 11 4.923 8.411 1.973 15 HG LEU 11 HG LEU 11 3.372 9.486 3.961 16 1HD1 LEU 11 1HD1 LEU 11 1.729 7.637 2.427 17 2HD1 LEU 11 2HD1 LEU 11 1.271 8.801 3.672 18 3HD1 LEU 11 3HD1 LEU 11 1.857 7.202 4.132 19 1HD2 LEU 11 1HD2 LEU 11 5.230 7.486 3.679 20 2HD2 LEU 11 2HD2 LEU 11 3.821 6.624 4.297 21 3HD2 LEU 11 3HD2 LEU 11 4.482 7.990 5.194 22 H GLN 12 H GLN 12 5.872 10.560 0.036 23 HA GLN 12 HA GLN 12 4.678 11.335 -2.345 24 1HB GLN 12 2HB GLN 12 7.266 11.038 -1.410 25 2HB GLN 12 1HB GLN 12 7.176 9.895 -2.743 26 1HG GLN 12 2HG GLN 12 6.255 12.726 -3.042 27 2HG GLN 12 1HG GLN 12 7.948 12.275 -3.243 28 1HE2 GLN 12 1HE2 GLN 12 4.715 11.926 -4.508 29 2HE2 GLN 12 2HE2 GLN 12 5.171 11.322 -6.060 30 H ILE 13 H ILE 13 3.900 10.302 -4.088 31 HA ILE 13 HA ILE 13 3.049 7.617 -3.875 32 HB ILE 13 HB ILE 13 3.176 9.373 -6.323 33 1HG1 ILE 13 2HG1 ILE 13 1.974 10.307 -4.284 34 2HG1 ILE 13 1HG1 ILE 13 1.034 10.197 -5.765 35 1HG2 ILE 13 1HG2 ILE 13 2.108 6.692 -5.816 36 2HG2 ILE 13 2HG2 ILE 13 2.549 7.480 -7.331 37 3HG2 ILE 13 3HG2 ILE 13 0.981 7.801 -6.596 38 1HD1 ILE 13 1HD1 ILE 13 0.775 7.796 -4.217 39 2HD1 ILE 13 2HD1 ILE 13 -0.472 8.909 -4.780 40 3HD1 ILE 13 3HD1 ILE 13 0.361 9.214 -3.254 41 H TYR 14 H TYR 14 3.876 5.771 -4.649 42 HA TYR 14 HA TYR 14 6.298 5.908 -6.314 43 1HB TYR 14 2HB TYR 14 5.721 3.869 -4.154 44 2HB TYR 14 1HB TYR 14 7.168 3.947 -5.151 45 HD1 TYR 14 1HD TYR 14 7.377 7.040 -5.007 46 HD2 TYR 14 2HD TYR 14 6.875 4.020 -2.059 47 HE1 TYR 14 1HE TYR 14 8.452 8.497 -3.342 48 HE2 TYR 14 2HE TYR 14 7.944 5.465 -0.384 49 HH TYR 14 HH TYR 14 9.812 7.737 -0.835 50 HA PRO 15 HA PRO 15 4.048 3.337 -9.111 51 1HB PRO 15 2HB PRO 15 6.566 2.128 -9.998 52 2HB PRO 15 1HB PRO 15 5.461 3.185 -10.879 53 1HG PRO 15 2HG PRO 15 7.895 4.010 -10.057 54 2HG PRO 15 1HG PRO 15 6.503 5.103 -10.151 55 1HD PRO 15 2HD PRO 15 7.694 3.750 -7.758 56 2HD PRO 15 1HD PRO 15 7.090 5.411 -7.929 57 H TYR 16 H TYR 16 3.931 2.224 -6.624 58 HA TYR 16 HA TYR 16 3.674 0.269 -5.489 59 1HB TYR 16 2HB TYR 16 2.148 -0.118 -7.386 60 2HB TYR 16 1HB TYR 16 3.463 -0.883 -8.265 61 HD1 TYR 16 1HD TYR 16 2.042 -1.207 -4.810 62 HD2 TYR 16 2HD TYR 16 3.249 -3.171 -8.386 63 HE1 TYR 16 1HE TYR 16 1.420 -3.369 -3.822 64 HE2 TYR 16 2HE TYR 16 2.627 -5.339 -7.409 65 HH TYR 16 HH TYR 16 2.001 -6.410 -5.533 66 H GLU 17 H GLU 17 5.371 -0.976 -8.275 67 HA GLU 17 HA GLU 17 6.869 -2.913 -7.090 68 1HB GLU 17 2HB GLU 17 8.534 -2.518 -8.974 69 2HB GLU 17 1HB GLU 17 6.871 -2.833 -9.446 70 1HG GLU 17 2HG GLU 17 6.634 -0.827 -10.395 71 2HG GLU 17 1HG GLU 17 7.476 0.000 -9.085 72 H MET 18 H MET 18 7.387 0.509 -6.980 73 HA MET 18 HA MET 18 10.092 0.564 -6.260 74 1HB MET 18 2HB MET 18 7.863 2.419 -6.283 75 2HB MET 18 1HB MET 18 8.879 2.667 -4.870 76 1HG MET 18 2HG MET 18 9.955 2.532 -7.671 77 2HG MET 18 1HG MET 18 9.460 4.032 -6.890 78 1HE MET 18 1HE MET 18 11.240 5.491 -5.482 79 2HE MET 18 2HE MET 18 11.551 5.195 -7.192 80 3HE MET 18 3HE MET 18 12.868 5.090 -6.025 81 H LEU 19 H LEU 19 7.256 -0.313 -4.553 82 HA LEU 19 HA LEU 19 8.681 -0.430 -1.987 83 1HB LEU 19 2HB LEU 19 5.732 -0.709 -2.534 84 2HB LEU 19 1HB LEU 19 6.494 -0.539 -0.962 85 HG LEU 19 HG LEU 19 6.989 1.669 -2.858 86 1HD1 LEU 19 1HD1 LEU 19 4.891 2.310 -3.251 87 2HD1 LEU 19 2HD1 LEU 19 4.424 2.043 -1.572 88 3HD1 LEU 19 3HD1 LEU 19 4.391 0.706 -2.718 89 1HD2 LEU 19 1HD2 LEU 19 6.979 1.167 -0.030 90 2HD2 LEU 19 2HD2 LEU 19 5.946 2.547 -0.404 91 3HD2 LEU 19 3HD2 LEU 19 7.632 2.543 -0.920 92 H VAL 20 H VAL 20 6.773 -2.240 -4.300 93 HA VAL 20 HA VAL 20 6.730 -4.696 -2.856 94 HB VAL 20 HB VAL 20 6.326 -4.327 -5.814 95 1HG1 VAL 20 1HG1 VAL 20 6.285 -6.572 -5.551 96 2HG1 VAL 20 2HG1 VAL 20 4.615 -6.237 -5.111 97 3HG1 VAL 20 3HG1 VAL 20 5.827 -6.490 -3.854 98 1HG2 VAL 20 1HG2 VAL 20 4.936 -2.958 -3.915 99 2HG2 VAL 20 2HG2 VAL 20 3.963 -4.417 -4.085 100 3HG2 VAL 20 3HG2 VAL 20 4.306 -3.416 -5.492 101 H VAL 21 H VAL 21 9.239 -4.309 -2.543 102 HA VAL 21 HA VAL 21 10.857 -5.250 -4.709 103 HB VAL 21 HB VAL 21 11.660 -4.822 -1.834 104 1HG1 VAL 21 1HG1 VAL 21 13.108 -5.529 -4.310 105 2HG1 VAL 21 2HG1 VAL 21 13.464 -5.932 -2.630 106 3HG1 VAL 21 3HG1 VAL 21 13.875 -4.337 -3.262 107 1HG2 VAL 21 1HG2 VAL 21 10.695 -2.878 -3.451 108 2HG2 VAL 21 2HG2 VAL 21 12.411 -2.824 -3.855 109 3HG2 VAL 21 3HG2 VAL 21 11.891 -2.610 -2.184 110 H THR 22 H THR 22 10.970 -7.342 -5.215 111 HA THR 22 HA THR 22 10.080 -9.403 -3.521 112 HB THR 22 HB THR 22 11.753 -10.480 -5.527 113 HG1 THR 22 1HG THR 22 10.030 -8.477 -6.528 114 1HG2 THR 22 1HG2 THR 22 8.815 -10.161 -5.886 115 2HG2 THR 22 2HG2 THR 22 9.450 -11.222 -4.628 116 3HG2 THR 22 3HG2 THR 22 9.859 -11.515 -6.319 117 H ASN 23 H ASN 23 11.364 -11.269 -2.835 118 HA ASN 23 HA ASN 23 13.001 -12.143 -1.514 119 1HB ASN 23 2HB ASN 23 14.355 -10.953 -3.842 120 2HB ASN 23 1HB ASN 23 15.402 -11.237 -2.455 121 1HD2 ASN 23 1HD2 ASN 23 14.457 -13.503 -1.381 122 2HD2 ASN 23 2HD2 ASN 23 14.586 -14.813 -2.500 123 H LYS 24 H LYS 24 15.339 -11.354 -0.485 124 HA LYS 24 HA LYS 24 16.336 -10.070 1.106 125 1HB LYS 24 2HB LYS 24 14.639 -7.780 0.111 126 2HB LYS 24 1HB LYS 24 16.159 -7.682 0.990 127 1HG LYS 24 2HG LYS 24 15.864 -8.843 -1.771 128 2HG LYS 24 1HG LYS 24 16.362 -7.186 -1.424 129 1HD LYS 24 2HD LYS 24 18.063 -8.615 0.155 130 2HD LYS 24 1HD LYS 24 17.872 -9.695 -1.228 131 1HE LYS 24 2HE LYS 24 18.285 -6.869 -1.913 132 2HE LYS 24 1HE LYS 24 19.645 -7.639 -1.098 133 1HZ LYS 24 1HZ LYS 24 20.141 -8.230 -3.203 134 2HZ LYS 24 2HZ LYS 24 18.541 -8.142 -3.743 135 3HZ LYS 24 3HZ LYS 24 19.069 -9.500 -2.885 136 H GLY 25 H GLY 25 15.997 -9.352 3.230 137 1HA GLY 25 2HA GLY 25 13.276 -9.874 4.205 138 2HA GLY 25 1HA GLY 25 14.742 -9.937 5.171 139 H ARG 26 H ARG 26 15.377 -8.156 6.272 140 HA ARG 26 HA ARG 26 13.536 -6.033 6.578 141 1HB ARG 26 2HB ARG 26 16.367 -6.289 7.596 142 2HB ARG 26 1HB ARG 26 15.193 -5.099 8.141 143 1HG ARG 26 2HG ARG 26 14.586 -6.535 9.712 144 2HG ARG 26 1HG ARG 26 13.912 -7.554 8.439 145 1HD ARG 26 2HD ARG 26 15.330 -9.025 9.495 146 2HD ARG 26 1HD ARG 26 16.366 -8.407 8.213 147 HE ARG 26 HE ARG 26 16.524 -7.723 11.061 148 1HH1 ARG 26 1HH1 ARG 26 17.874 -7.525 7.838 149 2HH1 ARG 26 2HH1 ARG 26 19.397 -6.916 8.387 150 1HH2 ARG 26 1HH2 ARG 26 18.528 -6.921 11.769 151 2HH2 ARG 26 2HH2 ARG 26 19.769 -6.573 10.611 152 H THR 27 H THR 27 13.759 -5.677 4.080 153 HA THR 27 HA THR 27 15.986 -4.236 3.131 154 HB THR 27 HB THR 27 14.881 -5.080 1.346 155 HG1 THR 27 1HG THR 27 15.002 -2.893 0.919 156 1HG2 THR 27 1HG2 THR 27 12.970 -6.099 2.081 157 2HG2 THR 27 2HG2 THR 27 12.298 -4.772 1.133 158 3HG2 THR 27 3HG2 THR 27 12.380 -4.649 2.891 159 H LYS 28 H LYS 28 15.932 -2.040 2.319 160 HA LYS 28 HA LYS 28 14.773 -0.257 4.330 161 1HB LYS 28 2HB LYS 28 16.837 0.317 2.195 162 2HB LYS 28 1HB LYS 28 16.336 1.423 3.467 163 1HG LYS 28 2HG LYS 28 17.948 0.613 4.746 164 2HG LYS 28 1HG LYS 28 17.115 -0.942 4.759 165 1HD LYS 28 2HD LYS 28 18.349 -1.041 2.347 166 2HD LYS 28 1HD LYS 28 19.507 -0.088 3.276 167 1HE LYS 28 2HE LYS 28 18.544 -2.344 4.802 168 2HE LYS 28 1HE LYS 28 19.229 -2.863 3.263 169 1HZ LYS 28 1HZ LYS 28 20.708 -2.488 5.398 170 2HZ LYS 28 2HZ LYS 28 20.739 -0.902 4.812 171 3HZ LYS 28 3HZ LYS 28 21.294 -2.171 3.841 172 H LEU 29 H LEU 29 12.865 0.617 3.873 173 HA LEU 29 HA LEU 29 11.892 0.793 1.194 174 1HB LEU 29 2HB LEU 29 10.532 2.092 3.514 175 2HB LEU 29 1HB LEU 29 9.823 1.329 2.100 176 HG LEU 29 HG LEU 29 11.128 -0.105 4.415 177 1HD1 LEU 29 1HD1 LEU 29 8.629 1.021 4.295 178 2HD1 LEU 29 2HD1 LEU 29 9.111 -0.313 5.345 179 3HD1 LEU 29 3HD1 LEU 29 8.332 -0.646 3.798 180 1HD2 LEU 29 1HD2 LEU 29 10.362 -2.147 3.336 181 2HD2 LEU 29 2HD2 LEU 29 11.471 -1.266 2.283 182 3HD2 LEU 29 3HD2 LEU 29 9.734 -1.212 1.979 183 HA PRO 30 HA PRO 30 12.747 4.901 -0.131 184 1HB PRO 30 2HB PRO 30 9.825 5.483 0.136 185 2HB PRO 30 1HB PRO 30 10.917 5.811 -1.217 186 1HG PRO 30 2HG PRO 30 9.228 3.762 -1.321 187 2HG PRO 30 1HG PRO 30 10.879 3.608 -1.953 188 1HD PRO 30 2HD PRO 30 9.698 2.520 0.553 189 2HD PRO 30 1HD PRO 30 10.968 1.843 -0.483 190 HA PRO 31 HA PRO 31 13.227 7.434 3.457 191 1HB PRO 31 2HB PRO 31 12.735 9.743 1.645 192 2HB PRO 31 1HB PRO 31 14.096 9.432 2.728 193 1HG PRO 31 2HG PRO 31 14.357 9.129 0.095 194 2HG PRO 31 1HG PRO 31 15.137 8.006 1.224 195 1HD PRO 31 2HD PRO 31 12.682 7.629 -0.433 196 2HD PRO 31 1HD PRO 31 13.954 6.462 -0.017 197 H GLY 32 H GLY 32 11.204 6.772 4.406 198 1HA GLY 32 2HA GLY 32 9.487 7.880 5.685 199 2HA GLY 32 1HA GLY 32 9.204 8.934 4.309 200 H VAL 33 H VAL 33 9.149 5.446 5.056 201 HA VAL 33 HA VAL 33 6.692 5.252 3.536 202 HB VAL 33 HB VAL 33 8.866 3.252 3.828 203 1HG1 VAL 33 1HG1 VAL 33 6.078 2.885 2.783 204 2HG1 VAL 33 2HG1 VAL 33 6.891 1.961 4.046 205 3HG1 VAL 33 3HG1 VAL 33 7.402 1.798 2.366 206 1HG2 VAL 33 1HG2 VAL 33 8.145 5.180 1.866 207 2HG2 VAL 33 2HG2 VAL 33 8.076 3.563 1.167 208 3HG2 VAL 33 3HG2 VAL 33 9.564 4.138 1.923 209 H ASP 34 H ASP 34 5.093 3.873 4.228 210 HA ASP 34 HA ASP 34 5.177 3.399 7.118 211 1HB ASP 34 2HB ASP 34 3.439 4.886 5.546 212 2HB ASP 34 1HB ASP 34 2.535 3.409 5.894 213 H ARG 35 H ARG 35 5.782 1.296 7.317 214 HA ARG 35 HA ARG 35 5.265 -0.820 5.626 215 1HB ARG 35 2HB ARG 35 5.526 -2.260 7.696 216 2HB ARG 35 1HB ARG 35 6.841 -1.142 7.364 217 1HG ARG 35 2HG ARG 35 5.215 0.348 8.980 218 2HG ARG 35 1HG ARG 35 5.020 -1.278 9.638 219 1HD ARG 35 2HD ARG 35 7.671 -1.264 9.356 220 2HD ARG 35 1HD ARG 35 7.413 0.469 9.550 221 HE ARG 35 HE ARG 35 6.085 -1.133 11.536 222 1HH1 ARG 35 1HH1 ARG 35 9.061 0.472 10.672 223 2HH1 ARG 35 2HH1 ARG 35 9.605 0.617 12.310 224 1HH2 ARG 35 1HH2 ARG 35 6.798 -0.945 13.689 225 2HH2 ARG 35 2HH2 ARG 35 8.321 -0.188 14.023 226 H MET 36 H MET 36 3.323 0.283 8.384 227 HA MET 36 HA MET 36 1.260 -1.636 7.804 228 1HB MET 36 2HB MET 36 2.128 -0.557 10.128 229 2HB MET 36 1HB MET 36 0.741 0.472 9.797 230 1HG MET 36 2HG MET 36 -0.762 -1.259 9.989 231 2HG MET 36 1HG MET 36 0.448 -2.489 9.629 232 1HE MET 36 1HE MET 36 2.842 -2.226 12.063 233 2HE MET 36 2HE MET 36 2.062 -3.355 10.955 234 3HE MET 36 3HE MET 36 1.918 -3.589 12.697 235 H ARG 37 H ARG 37 2.039 1.038 6.264 236 HA ARG 37 HA ARG 37 -0.675 1.557 5.416 237 1HB ARG 37 2HB ARG 37 0.914 3.493 7.020 238 2HB ARG 37 1HB ARG 37 -0.011 4.134 5.670 239 1HG ARG 37 2HG ARG 37 -1.610 2.326 7.244 240 2HG ARG 37 1HG ARG 37 -0.921 3.605 8.247 241 1HD ARG 37 2HD ARG 37 -2.045 4.462 5.663 242 2HD ARG 37 1HD ARG 37 -3.209 3.852 6.836 243 HE ARG 37 HE ARG 37 -1.441 5.732 8.021 244 1HH1 ARG 37 1HH1 ARG 37 -4.236 5.488 5.947 245 2HH1 ARG 37 2HH1 ARG 37 -4.835 7.060 6.360 246 1HH2 ARG 37 1HH2 ARG 37 -2.227 7.800 8.565 247 2HH2 ARG 37 2HH2 ARG 37 -3.694 8.372 7.845 248 H LEU 38 H LEU 38 0.955 0.344 3.840 249 HA LEU 38 HA LEU 38 2.690 2.056 2.351 250 1HB LEU 38 2HB LEU 38 2.069 -0.762 2.511 251 2HB LEU 38 1HB LEU 38 2.162 -0.243 0.847 252 HG LEU 38 HG LEU 38 4.324 -0.928 1.229 253 1HD1 LEU 38 1HD1 LEU 38 4.349 1.956 2.081 254 2HD1 LEU 38 2HD1 LEU 38 4.409 1.355 0.425 255 3HD1 LEU 38 3HD1 LEU 38 5.752 1.045 1.526 256 1HD2 LEU 38 1HD2 LEU 38 3.620 -0.489 3.976 257 2HD2 LEU 38 2HD2 LEU 38 5.217 0.183 3.641 258 3HD2 LEU 38 3HD2 LEU 38 4.883 -1.512 3.293 259 H GLU 39 H GLU 39 -0.558 1.001 2.124 260 HA GLU 39 HA GLU 39 -1.187 1.337 -0.541 261 1HB GLU 39 2HB GLU 39 -3.464 1.635 0.116 262 2HB GLU 39 1HB GLU 39 -2.733 0.516 1.256 263 1HG GLU 39 2HG GLU 39 -3.236 3.446 1.727 264 2HG GLU 39 1HG GLU 39 -4.176 2.107 2.385 265 H ARG 40 H ARG 40 -0.470 3.746 1.846 266 HA ARG 40 HA ARG 40 -1.561 5.948 0.438 267 1HB ARG 40 2HB ARG 40 0.474 5.819 2.656 268 2HB ARG 40 1HB ARG 40 -0.202 7.318 2.031 269 1HG ARG 40 2HG ARG 40 -2.263 5.416 2.763 270 2HG ARG 40 1HG ARG 40 -1.195 5.799 4.114 271 1HD ARG 40 2HD ARG 40 -2.319 7.693 4.405 272 2HD ARG 40 1HD ARG 40 -1.740 8.240 2.832 273 HE ARG 40 HE ARG 40 -4.376 7.276 3.479 274 1HH1 ARG 40 1HH1 ARG 40 -2.057 7.815 0.925 275 2HH1 ARG 40 2HH1 ARG 40 -3.258 7.885 -0.320 276 1HH2 ARG 40 1HH2 ARG 40 -5.956 7.368 1.842 277 2HH2 ARG 40 2HH2 ARG 40 -5.471 7.632 0.200 278 H HIS 41 H HIS 41 1.043 4.037 -0.244 279 HA HIS 41 HA HIS 41 2.613 6.189 -1.458 280 1HB HIS 41 2HB HIS 41 3.219 3.305 -0.846 281 2HB HIS 41 1HB HIS 41 4.260 4.280 -1.879 282 HD1 HIS 41 1HD HIS 41 5.523 6.272 -0.723 283 HD2 HIS 41 2HD HIS 41 3.455 3.775 1.860 284 HE1 HIS 41 1HE HIS 41 6.397 6.802 1.576 285 HE2 HIS 41 2HE HIS 41 4.938 5.459 3.124 286 H LEU 42 H LEU 42 0.563 3.488 -2.236 287 HA LEU 42 HA LEU 42 1.298 3.065 -4.897 288 1HB LEU 42 2HB LEU 42 -0.960 2.456 -3.132 289 2HB LEU 42 1HB LEU 42 -1.382 2.571 -4.818 290 HG LEU 42 HG LEU 42 0.292 0.546 -3.424 291 1HD1 LEU 42 1HD1 LEU 42 -2.042 0.698 -5.230 292 2HD1 LEU 42 2HD1 LEU 42 -1.752 -0.345 -3.833 293 3HD1 LEU 42 3HD1 LEU 42 -0.997 -0.717 -5.381 294 1HD2 LEU 42 1HD2 LEU 42 0.824 1.652 -6.125 295 2HD2 LEU 42 2HD2 LEU 42 0.850 -0.102 -5.948 296 3HD2 LEU 42 3HD2 LEU 42 1.924 0.899 -4.971 297 H SER 43 H SER 43 0.810 4.082 -6.750 298 HA SER 43 HA SER 43 -0.312 6.697 -6.649 299 1HB SER 43 2HB SER 43 1.193 5.224 -8.514 300 2HB SER 43 1HB SER 43 -0.329 5.649 -9.298 301 HG SER 43 HG SER 43 0.135 7.845 -8.473 302 H ALA 44 H ALA 44 -2.175 7.323 -7.987 303 HA ALA 44 HA ALA 44 -4.456 5.884 -7.240 304 1HB ALA 44 1HB ALA 44 -4.252 7.855 -9.510 305 2HB ALA 44 2HB ALA 44 -4.415 8.312 -7.813 306 3HB ALA 44 3HB ALA 44 -5.709 7.420 -8.615 307 H GLU 45 H GLU 45 -2.471 5.798 -10.089 308 HA GLU 45 HA GLU 45 -4.217 4.204 -11.627 309 1HB GLU 45 2HB GLU 45 -1.253 4.674 -11.951 310 2HB GLU 45 1HB GLU 45 -2.319 3.966 -13.158 311 1HG GLU 45 2HG GLU 45 -3.612 6.123 -13.120 312 2HG GLU 45 1HG GLU 45 -2.307 6.792 -12.142 313 H ASP 46 H ASP 46 -1.953 3.644 -9.111 314 HA ASP 46 HA ASP 46 -1.651 0.881 -9.808 315 1HB ASP 46 2HB ASP 46 -0.456 2.520 -7.586 316 2HB ASP 46 1HB ASP 46 -0.240 0.773 -7.706 317 H PHE 47 H PHE 47 -3.029 2.814 -7.138 318 HA PHE 47 HA PHE 47 -3.913 0.632 -5.638 319 1HB PHE 47 2HB PHE 47 -3.974 2.903 -4.735 320 2HB PHE 47 1HB PHE 47 -5.204 3.347 -5.918 321 HD1 PHE 47 1HD PHE 47 -7.457 2.346 -5.787 322 HD2 PHE 47 2HD PHE 47 -4.532 1.740 -2.760 323 HE1 PHE 47 1HE PHE 47 -9.214 1.569 -4.253 324 HE2 PHE 47 2HE PHE 47 -6.278 0.957 -1.224 325 HZ PHE 47 HZ PHE 47 -8.629 0.873 -1.973 326 H SER 48 H SER 48 -5.608 2.545 -7.982 327 HA SER 48 HA SER 48 -7.973 1.126 -8.094 328 1HB SER 48 2HB SER 48 -6.586 2.770 -10.194 329 2HB SER 48 1HB SER 48 -8.196 2.090 -10.430 330 HG SER 48 HG SER 48 -8.559 4.077 -9.614 331 H ARG 49 H ARG 49 -4.944 0.437 -9.582 332 HA ARG 49 HA ARG 49 -6.077 -1.696 -11.134 333 1HB ARG 49 2HB ARG 49 -3.414 -0.362 -11.086 334 2HB ARG 49 1HB ARG 49 -3.577 -1.947 -11.826 335 1HG ARG 49 2HG ARG 49 -5.618 -0.670 -13.020 336 2HG ARG 49 1HG ARG 49 -4.519 0.685 -12.752 337 1HD ARG 49 2HD ARG 49 -3.431 -1.844 -13.890 338 2HD ARG 49 1HD ARG 49 -4.375 -0.783 -14.935 339 HE ARG 49 HE ARG 49 -2.592 0.905 -13.815 340 1HH1 ARG 49 1HH1 ARG 49 -2.250 -2.150 -15.468 341 2HH1 ARG 49 2HH1 ARG 49 -0.682 -1.775 -16.098 342 1HH2 ARG 49 1HH2 ARG 49 -0.530 1.399 -14.643 343 2HH2 ARG 49 2HH2 ARG 49 0.296 0.239 -15.629 344 H VAL 50 H VAL 50 -4.507 -1.195 -8.212 345 HA VAL 50 HA VAL 50 -3.441 -3.839 -7.955 346 HB VAL 50 HB VAL 50 -3.369 -1.370 -6.292 347 1HG1 VAL 50 1HG1 VAL 50 -2.036 -3.787 -5.254 348 2HG1 VAL 50 2HG1 VAL 50 -3.750 -3.609 -4.916 349 3HG1 VAL 50 3HG1 VAL 50 -2.609 -2.374 -4.392 350 1HG2 VAL 50 1HG2 VAL 50 -1.421 -1.196 -7.263 351 2HG2 VAL 50 2HG2 VAL 50 -1.689 -2.684 -8.148 352 3HG2 VAL 50 3HG2 VAL 50 -0.894 -2.717 -6.572 353 H PHE 51 H PHE 51 -5.974 -1.897 -6.388 354 HA PHE 51 HA PHE 51 -6.972 -4.365 -5.165 355 1HB PHE 51 2HB PHE 51 -7.554 -1.528 -4.305 356 2HB PHE 51 1HB PHE 51 -7.979 -3.003 -3.444 357 HD1 PHE 51 1HD PHE 51 -6.137 -4.441 -2.529 358 HD2 PHE 51 2HD PHE 51 -5.466 -0.503 -3.998 359 HE1 PHE 51 1HE PHE 51 -4.007 -4.350 -1.309 360 HE2 PHE 51 2HE PHE 51 -3.344 -0.398 -2.757 361 HZ PHE 51 HZ PHE 51 -2.603 -2.329 -1.417 362 H ALA 52 H ALA 52 -7.550 -2.595 -7.802 363 HA ALA 52 HA ALA 52 -9.319 -2.208 -9.167 364 1HB ALA 52 1HB ALA 52 -9.384 -4.754 -8.355 365 2HB ALA 52 2HB ALA 52 -10.511 -4.076 -9.535 366 3HB ALA 52 3HB ALA 52 -10.990 -4.231 -7.842 367 H MET 53 H MET 53 -9.184 -0.526 -6.966 368 HA MET 53 HA MET 53 -11.966 0.219 -6.692 369 1HB MET 53 2HB MET 53 -10.219 -0.660 -4.484 370 2HB MET 53 1HB MET 53 -11.110 0.823 -4.186 371 1HG MET 53 2HG MET 53 -12.730 -0.520 -3.478 372 2HG MET 53 1HG MET 53 -13.056 -0.786 -5.191 373 1HE MET 53 1HE MET 53 -9.782 -2.170 -3.376 374 2HE MET 53 2HE MET 53 -10.471 -3.598 -2.605 375 3HE MET 53 3HE MET 53 -11.011 -1.990 -2.123 376 H SER 54 H SER 54 -12.095 2.472 -5.614 377 HA SER 54 HA SER 54 -10.191 4.152 -6.963 378 1HB SER 54 2HB SER 54 -11.625 6.008 -6.163 379 2HB SER 54 1HB SER 54 -12.554 4.775 -7.015 380 HG SER 54 HG SER 54 -13.578 5.395 -5.078 381 HA PRO 55 HA PRO 55 -7.207 4.498 -3.714 382 1HB PRO 55 2HB PRO 55 -7.050 7.343 -4.066 383 2HB PRO 55 1HB PRO 55 -5.909 6.120 -4.627 384 1HG PRO 55 2HG PRO 55 -8.128 7.439 -6.087 385 2HG PRO 55 1HG PRO 55 -6.622 6.751 -6.715 386 1HD PRO 55 2HD PRO 55 -8.963 5.544 -7.099 387 2HD PRO 55 1HD PRO 55 -7.497 4.596 -6.755 388 H GLU 56 H GLU 56 -9.834 6.735 -4.039 389 HA GLU 56 HA GLU 56 -9.909 7.690 -1.414 390 1HB GLU 56 2HB GLU 56 -12.250 8.347 -2.127 391 2HB GLU 56 1HB GLU 56 -10.935 9.039 -3.050 392 1HG GLU 56 2HG GLU 56 -11.670 6.618 -4.290 393 2HG GLU 56 1HG GLU 56 -13.159 7.480 -3.919 394 H GLU 57 H GLU 57 -11.684 5.171 -3.142 395 HA GLU 57 HA GLU 57 -13.566 4.451 -1.374 396 1HB GLU 57 2HB GLU 57 -12.014 3.059 -3.419 397 2HB GLU 57 1HB GLU 57 -12.681 2.012 -2.193 398 1HG GLU 57 2HG GLU 57 -14.407 4.020 -3.562 399 2HG GLU 57 1HG GLU 57 -14.031 2.482 -4.338 400 H PHE 58 H PHE 58 -10.235 3.691 -1.353 401 HA PHE 58 HA PHE 58 -10.178 2.062 0.944 402 1HB PHE 58 2HB PHE 58 -8.323 2.840 -0.967 403 2HB PHE 58 1HB PHE 58 -7.732 3.586 0.513 404 HD1 PHE 58 1HD PHE 58 -9.375 0.331 -0.230 405 HD2 PHE 58 2HD PHE 58 -6.017 2.344 1.405 406 HE1 PHE 58 1HE PHE 58 -8.433 -1.824 0.471 407 HE2 PHE 58 2HE PHE 58 -5.064 0.198 2.110 408 HZ PHE 58 HZ PHE 58 -6.278 -1.879 1.637 409 H GLY 59 H GLY 59 -9.574 5.516 0.376 410 1HA GLY 59 2HA GLY 59 -8.890 6.212 3.006 411 2HA GLY 59 1HA GLY 59 -9.613 7.298 1.828 412 H LYS 60 H LYS 60 -11.934 5.232 1.754 413 HA LYS 60 HA LYS 60 -13.297 6.338 4.037 414 1HB LYS 60 2HB LYS 60 -14.650 5.143 1.652 415 2HB LYS 60 1HB LYS 60 -15.340 6.222 2.856 416 1HG LYS 60 2HG LYS 60 -13.285 6.937 0.776 417 2HG LYS 60 1HG LYS 60 -14.985 7.406 0.786 418 1HD LYS 60 2HD LYS 60 -14.609 9.108 2.189 419 2HD LYS 60 1HD LYS 60 -13.609 8.118 3.251 420 1HE LYS 60 2HE LYS 60 -11.665 8.566 2.035 421 2HE LYS 60 1HE LYS 60 -12.567 9.106 0.619 422 1HZ LYS 60 1HZ LYS 60 -11.760 11.047 1.593 423 2HZ LYS 60 2HZ LYS 60 -12.120 10.539 3.165 424 3HZ LYS 60 3HZ LYS 60 -13.369 10.981 2.113 425 H LEU 61 H LEU 61 -12.390 3.386 2.568 426 HA LEU 61 HA LEU 61 -14.182 1.589 3.667 427 1HB LEU 61 2HB LEU 61 -11.299 1.374 2.906 428 2HB LEU 61 1HB LEU 61 -12.123 0.016 3.632 429 HG LEU 61 HG LEU 61 -13.155 1.363 1.152 430 1HD1 LEU 61 1HD1 LEU 61 -11.678 -1.192 0.982 431 2HD1 LEU 61 2HD1 LEU 61 -10.736 0.282 1.151 432 3HD1 LEU 61 3HD1 LEU 61 -11.847 0.099 -0.204 433 1HD2 LEU 61 1HD2 LEU 61 -13.696 -1.241 2.541 434 2HD2 LEU 61 2HD2 LEU 61 -14.161 -0.945 0.867 435 3HD2 LEU 61 3HD2 LEU 61 -14.830 0.052 2.159 436 H ALA 62 H ALA 62 -12.965 -0.220 5.235 437 HA ALA 62 HA ALA 62 -12.685 1.216 7.772 438 1HB ALA 62 1HB ALA 62 -13.027 -1.761 7.453 439 2HB ALA 62 2HB ALA 62 -14.399 -0.647 7.413 440 3HB ALA 62 3HB ALA 62 -13.389 -0.748 8.855 441 H LEU 63 H LEU 63 -11.322 -0.551 9.304 442 HA LEU 63 HA LEU 63 -8.652 -0.364 8.179 443 1HB LEU 63 2HB LEU 63 -9.755 -0.184 10.793 444 2HB LEU 63 1HB LEU 63 -8.629 -1.529 10.780 445 HG LEU 63 HG LEU 63 -7.505 0.491 11.500 446 1HD1 LEU 63 1HD1 LEU 63 -6.580 -1.242 9.640 447 2HD1 LEU 63 2HD1 LEU 63 -5.615 0.038 10.374 448 3HD1 LEU 63 3HD1 LEU 63 -6.367 0.293 8.800 449 1HD2 LEU 63 1HD2 LEU 63 -7.510 2.499 10.381 450 2HD2 LEU 63 2HD2 LEU 63 -9.143 1.924 10.047 451 3HD2 LEU 63 3HD2 LEU 63 -7.882 1.756 8.826 452 H TRP 64 H TRP 64 -11.054 -2.666 8.832 453 HA TRP 64 HA TRP 64 -9.337 -4.924 8.770 454 1HB TRP 64 2HB TRP 64 -11.521 -6.200 8.787 455 2HB TRP 64 1HB TRP 64 -11.252 -5.138 10.165 456 HD1 TRP 64 HD TRP 64 -12.720 -2.814 10.206 457 HE1 TRP 64 1HE TRP 64 -15.028 -2.303 9.173 458 HE3 TRP 64 3HE TRP 64 -13.010 -6.647 6.877 459 HZ2 TRP 64 2HZ TRP 64 -16.747 -3.386 7.249 460 HZ3 TRP 64 3HZ TRP 64 -15.026 -6.857 5.472 461 HH2 TRP 64 HH TRP 64 -16.853 -5.243 5.662 462 H LYS 65 H LYS 65 -11.959 -3.722 6.669 463 HA LYS 65 HA LYS 65 -11.531 -5.552 4.614 464 1HB LYS 65 2HB LYS 65 -12.609 -3.732 3.148 465 2HB LYS 65 1HB LYS 65 -13.557 -4.382 4.473 466 1HG LYS 65 2HG LYS 65 -12.367 -2.257 5.658 467 2HG LYS 65 1HG LYS 65 -12.558 -1.684 4.006 468 1HD LYS 65 2HD LYS 65 -14.661 -2.531 5.960 469 2HD LYS 65 1HD LYS 65 -14.554 -1.043 5.030 470 1HE LYS 65 2HE LYS 65 -14.714 -2.864 3.036 471 2HE LYS 65 1HE LYS 65 -15.662 -3.669 4.287 472 1HZ LYS 65 1HZ LYS 65 -16.226 -1.217 2.815 473 2HZ LYS 65 2HZ LYS 65 -16.687 -1.243 4.443 474 3HZ LYS 65 3HZ LYS 65 -17.285 -2.413 3.377 475 H ARG 66 H ARG 66 -10.052 -2.463 5.340 476 HA ARG 66 HA ARG 66 -8.560 -2.165 2.978 477 1HB ARG 66 2HB ARG 66 -8.611 -1.023 5.691 478 2HB ARG 66 1HB ARG 66 -7.045 -0.979 4.911 479 1HG ARG 66 2HG ARG 66 -8.499 -0.023 2.902 480 2HG ARG 66 1HG ARG 66 -9.548 0.454 4.237 481 1HD ARG 66 2HD ARG 66 -7.700 2.082 3.411 482 2HD ARG 66 1HD ARG 66 -7.970 1.877 5.141 483 HE ARG 66 HE ARG 66 -5.981 0.107 4.063 484 1HH1 ARG 66 1HH1 ARG 66 -6.567 3.290 5.374 485 2HH1 ARG 66 2HH1 ARG 66 -4.938 3.502 5.922 486 1HH2 ARG 66 1HH2 ARG 66 -3.838 0.383 4.793 487 2HH2 ARG 66 2HH2 ARG 66 -3.389 1.852 5.594 488 H ASN 67 H ASN 67 -7.921 -3.726 6.099 489 HA ASN 67 HA ASN 67 -5.263 -4.443 5.590 490 1HB ASN 67 2HB ASN 67 -7.352 -5.058 7.560 491 2HB ASN 67 1HB ASN 67 -6.169 -6.334 7.332 492 1HD2 ASN 67 1HD2 ASN 67 -6.645 -4.627 9.637 493 2HD2 ASN 67 2HD2 ASN 67 -5.155 -3.812 9.952 494 H GLU 68 H GLU 68 -8.342 -6.125 5.088 495 HA GLU 68 HA GLU 68 -7.235 -8.538 4.220 496 1HB GLU 68 2HB GLU 68 -9.945 -7.363 3.639 497 2HB GLU 68 1HB GLU 68 -9.490 -9.035 3.344 498 1HG GLU 68 2HG GLU 68 -8.842 -8.749 5.970 499 2HG GLU 68 1HG GLU 68 -10.250 -7.699 5.830 500 H LEU 69 H LEU 69 -7.652 -5.545 2.682 501 HA LEU 69 HA LEU 69 -7.407 -6.662 -0.001 502 1HB LEU 69 2HB LEU 69 -7.810 -3.849 1.009 503 2HB LEU 69 1HB LEU 69 -7.591 -4.245 -0.691 504 HG LEU 69 HG LEU 69 -9.822 -5.284 1.046 505 1HD1 LEU 69 1HD1 LEU 69 -10.437 -3.091 0.796 506 2HD1 LEU 69 2HD1 LEU 69 -11.115 -3.781 -0.679 507 3HD1 LEU 69 3HD1 LEU 69 -9.582 -2.911 -0.736 508 1HD2 LEU 69 1HD2 LEU 69 -8.768 -6.315 -1.286 509 2HD2 LEU 69 2HD2 LEU 69 -10.165 -5.383 -1.830 510 3HD2 LEU 69 3HD2 LEU 69 -10.367 -6.652 -0.621 511 H LYS 70 H LYS 70 -5.728 -4.281 2.019 512 HA LYS 70 HA LYS 70 -3.584 -3.753 0.386 513 1HB LYS 70 2HB LYS 70 -2.846 -2.555 2.133 514 2HB LYS 70 1HB LYS 70 -4.365 -2.994 2.879 515 1HG LYS 70 2HG LYS 70 -3.104 -5.030 3.796 516 2HG LYS 70 1HG LYS 70 -1.646 -4.141 3.356 517 1HD LYS 70 2HD LYS 70 -3.830 -3.138 5.179 518 2HD LYS 70 1HD LYS 70 -2.269 -3.772 5.702 519 1HE LYS 70 2HE LYS 70 -2.267 -1.554 3.730 520 2HE LYS 70 1HE LYS 70 -2.721 -1.170 5.389 521 1HZ LYS 70 1HZ LYS 70 -0.157 -2.223 4.378 522 2HZ LYS 70 2HZ LYS 70 -0.591 -2.417 6.001 523 3HZ LYS 70 3HZ LYS 70 -0.438 -0.865 5.347 524 H LYS 71 H LYS 71 -4.192 -6.534 2.373 525 HA LYS 71 HA LYS 71 -1.574 -7.579 2.212 526 1HB LYS 71 2HB LYS 71 -2.697 -8.487 4.003 527 2HB LYS 71 1HB LYS 71 -4.217 -8.564 3.133 528 1HG LYS 71 2HG LYS 71 -2.893 -10.432 1.771 529 2HG LYS 71 1HG LYS 71 -2.010 -10.531 3.294 530 1HD LYS 71 2HD LYS 71 -3.937 -12.094 3.157 531 2HD LYS 71 1HD LYS 71 -4.046 -10.960 4.505 532 1HE LYS 71 2HE LYS 71 -5.784 -9.794 3.564 533 2HE LYS 71 1HE LYS 71 -5.311 -10.211 1.919 534 1HZ LYS 71 1HZ LYS 71 -6.058 -12.511 2.397 535 2HZ LYS 71 2HZ LYS 71 -7.309 -11.372 2.451 536 3HZ LYS 71 3HZ LYS 71 -6.655 -11.978 3.888 537 H LYS 72 H LYS 72 -4.362 -7.684 0.207 538 HA LYS 72 HA LYS 72 -3.662 -9.827 -1.431 539 1HB LYS 72 2HB LYS 72 -5.203 -7.356 -2.212 540 2HB LYS 72 1HB LYS 72 -5.200 -8.887 -3.077 541 1HG LYS 72 2HG LYS 72 -6.176 -8.565 -0.254 542 2HG LYS 72 1HG LYS 72 -7.216 -8.478 -1.677 543 1HD LYS 72 2HD LYS 72 -6.963 -10.721 -2.162 544 2HD LYS 72 1HD LYS 72 -5.426 -10.837 -1.301 545 1HE LYS 72 2HE LYS 72 -6.781 -10.383 0.810 546 2HE LYS 72 1HE LYS 72 -8.204 -10.730 -0.169 547 1HZ LYS 72 1HZ LYS 72 -7.180 -12.904 -0.701 548 2HZ LYS 72 2HZ LYS 72 -7.539 -12.718 0.940 549 3HZ LYS 72 3HZ LYS 72 -5.943 -12.566 0.402 550 H ALA 73 H ALA 73 -2.780 -6.507 -1.332 551 HA ALA 73 HA ALA 73 -1.213 -6.688 -3.753 552 1HB ALA 73 1HB ALA 73 -2.666 -4.720 -3.249 553 2HB ALA 73 2HB ALA 73 -0.988 -4.325 -3.627 554 3HB ALA 73 3HB ALA 73 -1.545 -4.309 -1.953 555 H SER 74 H SER 74 -0.781 -7.264 -0.469 556 HA SER 74 HA SER 74 1.083 -7.889 0.689 557 1HB SER 74 2HB SER 74 1.968 -8.210 -1.857 558 2HB SER 74 1HB SER 74 3.070 -6.956 -1.290 559 HG SER 74 HG SER 74 3.724 -9.203 -0.910 560 H LEU 75 H LEU 75 -0.002 -5.013 0.185 561 HA LEU 75 HA LEU 75 2.258 -3.391 0.973 562 1HB LEU 75 2HB LEU 75 -0.662 -2.637 0.817 563 2HB LEU 75 1HB LEU 75 0.694 -1.534 0.935 564 HG LEU 75 HG LEU 75 -0.182 -3.175 -1.416 565 1HD1 LEU 75 1HD1 LEU 75 -0.329 -1.134 -2.542 566 2HD1 LEU 75 2HD1 LEU 75 0.668 -0.302 -1.346 567 3HD1 LEU 75 3HD1 LEU 75 -0.974 -0.794 -0.934 568 1HD2 LEU 75 1HD2 LEU 75 2.047 -3.687 -1.547 569 2HD2 LEU 75 2HD2 LEU 75 2.554 -2.186 -0.773 570 3HD2 LEU 75 3HD2 LEU 75 1.993 -2.169 -2.445 571 H PHE 76 H PHE 76 0.395 -5.528 2.593 572 HA PHE 76 HA PHE 76 -0.357 -4.141 4.915 573 1HB PHE 76 2HB PHE 76 -1.057 -6.496 4.070 574 2HB PHE 76 1HB PHE 76 0.378 -7.051 4.926 575 HD1 PHE 76 1HD PHE 76 -3.019 -6.764 5.214 576 HD2 PHE 76 2HD PHE 76 0.527 -5.874 7.395 577 HE1 PHE 76 1HE PHE 76 -4.295 -6.828 7.313 578 HE2 PHE 76 2HE PHE 76 -0.747 -5.934 9.498 579 HZ PHE 76 HZ PHE 76 -3.163 -6.412 9.457 Start of MODEL 9 1 HA PRO 9 HA PRO 9 1.182 15.451 5.427 2 1HB PRO 9 2HB PRO 9 2.980 13.283 5.723 3 2HB PRO 9 1HB PRO 9 3.155 14.922 6.364 4 1HG PRO 9 2HG PRO 9 2.118 12.472 7.687 5 2HG PRO 9 1HG PRO 9 2.997 13.844 8.385 6 1HD PRO 9 2HD PRO 9 0.381 13.551 8.807 7 2HD PRO 9 1HD PRO 9 1.075 15.161 8.530 8 H GLY 10 H GLY 10 2.223 14.431 3.447 9 1HA GLY 10 2HA GLY 10 0.628 12.131 2.507 10 2HA GLY 10 1HA GLY 10 0.826 13.568 1.515 11 H LEU 11 H LEU 11 2.051 10.529 2.254 12 HA LEU 11 HA LEU 11 4.779 10.927 1.651 13 1HB LEU 11 2HB LEU 11 3.250 8.360 1.318 14 2HB LEU 11 1HB LEU 11 4.968 8.552 1.614 15 HG LEU 11 HG LEU 11 3.920 9.773 3.815 16 1HD1 LEU 11 1HD1 LEU 11 1.923 7.867 2.765 17 2HD1 LEU 11 2HD1 LEU 11 1.709 9.299 3.771 18 3HD1 LEU 11 3HD1 LEU 11 2.267 7.790 4.493 19 1HD2 LEU 11 1HD2 LEU 11 5.298 7.356 3.168 20 2HD2 LEU 11 2HD2 LEU 11 4.153 7.043 4.471 21 3HD2 LEU 11 3HD2 LEU 11 5.365 8.311 4.649 22 H GLN 12 H GLN 12 5.904 10.699 -0.242 23 HA GLN 12 HA GLN 12 4.660 11.387 -2.626 24 1HB GLN 12 2HB GLN 12 7.269 11.131 -1.726 25 2HB GLN 12 1HB GLN 12 7.161 9.955 -3.030 26 1HG GLN 12 2HG GLN 12 6.173 12.745 -3.421 27 2HG GLN 12 1HG GLN 12 7.892 12.373 -3.553 28 1HE2 GLN 12 1HE2 GLN 12 4.741 11.928 -4.945 29 2HE2 GLN 12 2HE2 GLN 12 5.270 11.260 -6.447 30 H ILE 13 H ILE 13 3.985 10.293 -4.397 31 HA ILE 13 HA ILE 13 3.057 7.642 -4.092 32 HB ILE 13 HB ILE 13 3.328 9.296 -6.598 33 1HG1 ILE 13 2HG1 ILE 13 2.039 10.295 -4.636 34 2HG1 ILE 13 1HG1 ILE 13 1.188 10.181 -6.169 35 1HG2 ILE 13 1HG2 ILE 13 2.191 6.641 -6.077 36 2HG2 ILE 13 2HG2 ILE 13 2.721 7.384 -7.585 37 3HG2 ILE 13 3HG2 ILE 13 1.126 7.750 -6.937 38 1HD1 ILE 13 1HD1 ILE 13 0.817 7.832 -4.519 39 2HD1 ILE 13 2HD1 ILE 13 -0.378 8.864 -5.303 40 3HD1 ILE 13 3HD1 ILE 13 0.278 9.313 -3.728 41 H TYR 14 H TYR 14 3.936 5.747 -4.642 42 HA TYR 14 HA TYR 14 6.439 5.768 -6.195 43 1HB TYR 14 2HB TYR 14 5.628 3.829 -4.017 44 2HB TYR 14 1HB TYR 14 7.122 3.766 -4.941 45 HD1 TYR 14 1HD TYR 14 7.310 6.960 -4.830 46 HD2 TYR 14 2HD TYR 14 6.924 3.865 -1.939 47 HE1 TYR 14 1HE TYR 14 8.402 8.394 -3.156 48 HE2 TYR 14 2HE TYR 14 8.009 5.287 -0.259 49 HH TYR 14 HH TYR 14 8.545 8.623 -0.741 50 HA PRO 15 HA PRO 15 4.306 3.200 -9.076 51 1HB PRO 15 2HB PRO 15 6.835 1.930 -9.817 52 2HB PRO 15 1HB PRO 15 5.817 3.023 -10.757 53 1HG PRO 15 2HG PRO 15 8.229 3.759 -9.784 54 2HG PRO 15 1HG PRO 15 6.888 4.902 -9.979 55 1HD PRO 15 2HD PRO 15 7.867 3.532 -7.503 56 2HD PRO 15 1HD PRO 15 7.333 5.211 -7.726 57 H TYR 16 H TYR 16 4.070 2.125 -6.563 58 HA TYR 16 HA TYR 16 3.678 0.176 -5.446 59 1HB TYR 16 2HB TYR 16 2.294 -0.174 -7.462 60 2HB TYR 16 1HB TYR 16 3.651 -0.979 -8.231 61 HD1 TYR 16 1HD TYR 16 1.784 -1.255 -4.983 62 HD2 TYR 16 2HD TYR 16 3.511 -3.269 -8.310 63 HE1 TYR 16 1HE TYR 16 0.975 -3.401 -4.096 64 HE2 TYR 16 2HE TYR 16 2.708 -5.416 -7.434 65 HH TYR 16 HH TYR 16 1.816 -5.961 -4.422 66 H GLU 17 H GLU 17 5.578 -1.050 -8.112 67 HA GLU 17 HA GLU 17 6.948 -3.031 -6.836 68 1HB GLU 17 2HB GLU 17 7.087 -1.742 -9.347 69 2HB GLU 17 1HB GLU 17 8.728 -1.795 -8.716 70 1HG GLU 17 2HG GLU 17 7.699 -4.328 -8.218 71 2HG GLU 17 1HG GLU 17 7.109 -3.906 -9.825 72 H MET 18 H MET 18 7.491 0.377 -6.628 73 HA MET 18 HA MET 18 10.147 0.370 -5.726 74 1HB MET 18 2HB MET 18 8.028 2.279 -6.014 75 2HB MET 18 1HB MET 18 8.773 2.487 -4.436 76 1HG MET 18 2HG MET 18 10.650 2.178 -6.672 77 2HG MET 18 1HG MET 18 9.659 3.635 -6.711 78 1HE MET 18 1HE MET 18 10.792 5.974 -5.112 79 2HE MET 18 2HE MET 18 11.149 5.198 -6.655 80 3HE MET 18 3HE MET 18 12.450 5.523 -5.509 81 H LEU 19 H LEU 19 7.168 -0.428 -4.233 82 HA LEU 19 HA LEU 19 8.406 -0.583 -1.570 83 1HB LEU 19 2HB LEU 19 5.493 -0.771 -2.299 84 2HB LEU 19 1HB LEU 19 6.168 -0.577 -0.689 85 HG LEU 19 HG LEU 19 6.861 1.561 -2.592 86 1HD1 LEU 19 1HD1 LEU 19 4.826 2.252 -3.179 87 2HD1 LEU 19 2HD1 LEU 19 4.201 2.025 -1.547 88 3HD1 LEU 19 3HD1 LEU 19 4.239 0.670 -2.669 89 1HD2 LEU 19 1HD2 LEU 19 7.437 2.323 -0.570 90 2HD2 LEU 19 2HD2 LEU 19 6.414 1.155 0.262 91 3HD2 LEU 19 3HD2 LEU 19 5.719 2.657 -0.348 92 H VAL 20 H VAL 20 6.722 -2.339 -4.067 93 HA VAL 20 HA VAL 20 6.214 -4.736 -2.691 94 HB VAL 20 HB VAL 20 6.737 -4.563 -5.644 95 1HG1 VAL 20 1HG1 VAL 20 6.274 -6.735 -5.320 96 2HG1 VAL 20 2HG1 VAL 20 4.607 -6.171 -5.319 97 3HG1 VAL 20 3HG1 VAL 20 5.447 -6.455 -3.794 98 1HG2 VAL 20 1HG2 VAL 20 4.926 -2.950 -4.247 99 2HG2 VAL 20 2HG2 VAL 20 3.965 -4.253 -4.932 100 3HG2 VAL 20 3HG2 VAL 20 4.966 -3.255 -5.983 101 H VAL 21 H VAL 21 8.294 -4.926 -1.537 102 HA VAL 21 HA VAL 21 10.610 -5.693 -3.026 103 HB VAL 21 HB VAL 21 10.130 -5.967 -0.061 104 1HG1 VAL 21 1HG1 VAL 21 12.019 -7.271 -1.077 105 2HG1 VAL 21 2HG1 VAL 21 12.495 -6.111 0.163 106 3HG1 VAL 21 3HG1 VAL 21 12.742 -5.732 -1.542 107 1HG2 VAL 21 1HG2 VAL 21 10.067 -3.617 -1.406 108 2HG2 VAL 21 2HG2 VAL 21 11.788 -3.751 -1.050 109 3HG2 VAL 21 3HG2 VAL 21 10.610 -3.794 0.262 110 H THR 22 H THR 22 10.788 -7.637 -3.938 111 HA THR 22 HA THR 22 9.290 -9.869 -2.890 112 HB THR 22 HB THR 22 10.807 -10.642 -5.141 113 HG1 THR 22 1HG THR 22 9.567 -8.117 -5.393 114 1HG2 THR 22 1HG2 THR 22 8.861 -11.436 -5.862 115 2HG2 THR 22 2HG2 THR 22 8.059 -9.874 -5.692 116 3HG2 THR 22 3HG2 THR 22 8.235 -10.934 -4.292 117 H ASN 23 H ASN 23 10.871 -9.611 -0.986 118 HA ASN 23 HA ASN 23 12.521 -11.852 -0.906 119 1HB ASN 23 2HB ASN 23 13.816 -9.936 -2.306 120 2HB ASN 23 1HB ASN 23 14.337 -9.528 -0.674 121 1HD2 ASN 23 1HD2 ASN 23 15.141 -11.227 -3.328 122 2HD2 ASN 23 2HD2 ASN 23 16.134 -12.450 -2.618 123 H LYS 24 H LYS 24 11.704 -12.288 1.073 124 HA LYS 24 HA LYS 24 11.173 -10.499 3.116 125 1HB LYS 24 2HB LYS 24 11.538 -13.422 2.907 126 2HB LYS 24 1HB LYS 24 11.751 -12.747 4.516 127 1HG LYS 24 2HG LYS 24 9.544 -12.982 4.701 128 2HG LYS 24 1HG LYS 24 9.449 -11.532 3.701 129 1HD LYS 24 2HD LYS 24 8.700 -12.669 1.907 130 2HD LYS 24 1HD LYS 24 9.773 -14.038 2.204 131 1HE LYS 24 2HE LYS 24 7.644 -13.736 4.190 132 2HE LYS 24 1HE LYS 24 7.060 -14.044 2.555 133 1HZ LYS 24 1HZ LYS 24 8.662 -15.951 2.504 134 2HZ LYS 24 2HZ LYS 24 7.369 -16.131 3.580 135 3HZ LYS 24 3HZ LYS 24 8.902 -15.718 4.162 136 H GLY 25 H GLY 25 12.274 -10.269 5.215 137 1HA GLY 25 2HA GLY 25 14.623 -10.868 6.178 138 2HA GLY 25 1HA GLY 25 15.159 -9.940 4.787 139 H ARG 26 H ARG 26 16.182 -8.697 6.606 140 HA ARG 26 HA ARG 26 14.359 -6.942 8.007 141 1HB ARG 26 2HB ARG 26 16.344 -6.194 9.247 142 2HB ARG 26 1HB ARG 26 16.145 -7.939 9.319 143 1HG ARG 26 2HG ARG 26 17.838 -6.982 7.121 144 2HG ARG 26 1HG ARG 26 18.466 -6.673 8.740 145 1HD ARG 26 2HD ARG 26 17.765 -9.192 9.109 146 2HD ARG 26 1HD ARG 26 17.949 -9.257 7.357 147 HE ARG 26 HE ARG 26 20.040 -9.018 9.315 148 1HH1 ARG 26 1HH1 ARG 26 19.149 -8.435 5.992 149 2HH1 ARG 26 2HH1 ARG 26 20.784 -8.446 5.421 150 1HH2 ARG 26 1HH2 ARG 26 22.190 -9.033 8.567 151 2HH2 ARG 26 2HH2 ARG 26 22.511 -8.785 6.883 152 H THR 27 H THR 27 14.527 -6.612 5.195 153 HA THR 27 HA THR 27 16.277 -4.522 4.486 154 HB THR 27 HB THR 27 15.579 -5.523 2.583 155 HG1 THR 27 1HG THR 27 15.056 -3.372 2.283 156 1HG2 THR 27 1HG2 THR 27 13.169 -6.127 2.115 157 2HG2 THR 27 2HG2 THR 27 12.873 -5.841 3.829 158 3HG2 THR 27 3HG2 THR 27 14.005 -7.096 3.328 159 H LYS 28 H LYS 28 15.622 -2.385 3.778 160 HA LYS 28 HA LYS 28 13.639 -1.229 5.629 161 1HB LYS 28 2HB LYS 28 16.179 -0.076 4.482 162 2HB LYS 28 1HB LYS 28 14.967 0.909 5.290 163 1HG LYS 28 2HG LYS 28 15.238 -0.604 7.287 164 2HG LYS 28 1HG LYS 28 16.639 -1.293 6.465 165 1HD LYS 28 2HD LYS 28 17.128 1.386 6.260 166 2HD LYS 28 1HD LYS 28 16.329 1.282 7.830 167 1HE LYS 28 2HE LYS 28 18.209 0.532 8.742 168 2HE LYS 28 1HE LYS 28 18.192 -0.853 7.651 169 1HZ LYS 28 1HZ LYS 28 20.244 0.390 7.446 170 2HZ LYS 28 2HZ LYS 28 19.391 1.800 7.068 171 3HZ LYS 28 3HZ LYS 28 19.362 0.485 6.005 172 H LEU 29 H LEU 29 12.079 0.125 4.864 173 HA LEU 29 HA LEU 29 11.527 0.019 2.064 174 1HB LEU 29 2HB LEU 29 10.106 0.890 4.507 175 2HB LEU 29 1HB LEU 29 9.619 1.663 3.008 176 HG LEU 29 HG LEU 29 9.632 -1.320 3.482 177 1HD1 LEU 29 1HD1 LEU 29 7.627 0.789 3.963 178 2HD1 LEU 29 2HD1 LEU 29 7.837 -0.781 4.741 179 3HD1 LEU 29 3HD1 LEU 29 7.047 -0.675 3.168 180 1HD2 LEU 29 1HD2 LEU 29 8.456 -1.479 1.394 181 2HD2 LEU 29 2HD2 LEU 29 9.953 -0.589 1.125 182 3HD2 LEU 29 3HD2 LEU 29 8.420 0.276 1.228 183 HA PRO 30 HA PRO 30 12.805 3.898 0.400 184 1HB PRO 30 2HB PRO 30 9.947 4.792 0.404 185 2HB PRO 30 1HB PRO 30 11.148 4.874 -0.893 186 1HG PRO 30 2HG PRO 30 9.268 3.002 -0.933 187 2HG PRO 30 1HG PRO 30 10.932 2.615 -1.409 188 1HD PRO 30 2HD PRO 30 9.473 1.939 1.099 189 2HD PRO 30 1HD PRO 30 10.710 1.013 0.228 190 HA PRO 31 HA PRO 31 13.077 6.875 3.645 191 1HB PRO 31 2HB PRO 31 13.253 9.235 2.302 192 2HB PRO 31 1HB PRO 31 14.574 8.063 2.371 193 1HG PRO 31 2HG PRO 31 12.564 8.526 0.201 194 2HG PRO 31 1HG PRO 31 14.310 8.240 0.068 195 1HD PRO 31 2HD PRO 31 12.488 6.292 -0.367 196 2HD PRO 31 1HD PRO 31 14.084 5.959 0.334 197 H GLY 32 H GLY 32 11.112 6.780 4.711 198 1HA GLY 32 2HA GLY 32 9.358 8.076 5.620 199 2HA GLY 32 1HA GLY 32 9.290 8.992 4.123 200 H VAL 33 H VAL 33 8.726 5.692 5.333 201 HA VAL 33 HA VAL 33 6.387 5.556 3.630 202 HB VAL 33 HB VAL 33 8.289 3.349 4.225 203 1HG1 VAL 33 1HG1 VAL 33 5.581 3.336 2.984 204 2HG1 VAL 33 2HG1 VAL 33 6.258 2.236 4.182 205 3HG1 VAL 33 3HG1 VAL 33 6.784 2.143 2.502 206 1HG2 VAL 33 1HG2 VAL 33 8.026 5.241 2.083 207 2HG2 VAL 33 2HG2 VAL 33 7.965 3.582 1.494 208 3HG2 VAL 33 3HG2 VAL 33 9.349 4.135 2.439 209 H ASP 34 H ASP 34 4.644 4.377 4.318 210 HA ASP 34 HA ASP 34 4.491 4.144 7.228 211 1HB ASP 34 2HB ASP 34 2.976 5.570 5.454 212 2HB ASP 34 1HB ASP 34 2.000 4.114 5.665 213 H ARG 35 H ARG 35 5.082 2.042 7.607 214 HA ARG 35 HA ARG 35 4.589 -0.204 6.095 215 1HB ARG 35 2HB ARG 35 5.863 0.183 8.393 216 2HB ARG 35 1HB ARG 35 4.366 -0.456 9.057 217 1HG ARG 35 2HG ARG 35 5.437 -2.020 6.833 218 2HG ARG 35 1HG ARG 35 6.494 -1.948 8.242 219 1HD ARG 35 2HD ARG 35 3.821 -2.373 9.131 220 2HD ARG 35 1HD ARG 35 4.177 -3.533 7.853 221 HE ARG 35 HE ARG 35 5.313 -3.456 10.493 222 1HH1 ARG 35 1HH1 ARG 35 5.773 -4.538 7.208 223 2HH1 ARG 35 2HH1 ARG 35 6.853 -5.818 7.648 224 1HH2 ARG 35 1HH2 ARG 35 6.737 -5.135 11.074 225 2HH2 ARG 35 2HH2 ARG 35 7.403 -6.156 9.843 226 H MET 36 H MET 36 2.497 1.268 8.541 227 HA MET 36 HA MET 36 0.428 -0.681 8.068 228 1HB MET 36 2HB MET 36 0.610 1.676 9.934 229 2HB MET 36 1HB MET 36 -0.807 0.642 9.815 230 1HG MET 36 2HG MET 36 0.444 -1.257 10.573 231 2HG MET 36 1HG MET 36 1.947 -0.336 10.530 232 1HE MET 36 1HE MET 36 1.702 2.342 12.616 233 2HE MET 36 2HE MET 36 2.763 1.122 11.912 234 3HE MET 36 3HE MET 36 2.449 1.120 13.647 235 H ARG 37 H ARG 37 1.382 1.735 6.251 236 HA ARG 37 HA ARG 37 -1.244 2.206 5.156 237 1HB ARG 37 2HB ARG 37 -0.341 4.031 7.020 238 2HB ARG 37 1HB ARG 37 0.135 4.768 5.498 239 1HG ARG 37 2HG ARG 37 -1.951 5.647 5.735 240 2HG ARG 37 1HG ARG 37 -2.340 4.189 4.821 241 1HD ARG 37 2HD ARG 37 -3.625 3.444 6.473 242 2HD ARG 37 1HD ARG 37 -2.297 3.587 7.623 243 HE ARG 37 HE ARG 37 -4.486 5.420 7.254 244 1HH1 ARG 37 1HH1 ARG 37 -1.227 5.044 8.446 245 2HH1 ARG 37 2HH1 ARG 37 -1.336 6.387 9.532 246 1HH2 ARG 37 1HH2 ARG 37 -4.630 7.187 8.682 247 2HH2 ARG 37 2HH2 ARG 37 -3.266 7.605 9.667 248 H LEU 38 H LEU 38 0.566 0.789 3.928 249 HA LEU 38 HA LEU 38 2.446 2.227 2.378 250 1HB LEU 38 2HB LEU 38 1.546 -0.509 2.713 251 2HB LEU 38 1HB LEU 38 1.847 -0.141 1.034 252 HG LEU 38 HG LEU 38 3.878 -1.001 1.713 253 1HD1 LEU 38 1HD1 LEU 38 4.105 1.951 2.236 254 2HD1 LEU 38 2HD1 LEU 38 4.277 1.142 0.678 255 3HD1 LEU 38 3HD1 LEU 38 5.462 0.860 1.954 256 1HD2 LEU 38 1HD2 LEU 38 3.085 0.064 4.332 257 2HD2 LEU 38 2HD2 LEU 38 4.817 0.091 4.001 258 3HD2 LEU 38 3HD2 LEU 38 3.926 -1.429 3.917 259 H GLU 39 H GLU 39 -0.853 1.364 1.994 260 HA GLU 39 HA GLU 39 -1.220 1.573 -0.745 261 1HB GLU 39 2HB GLU 39 -2.925 1.756 1.638 262 2HB GLU 39 1HB GLU 39 -3.549 2.622 0.242 263 1HG GLU 39 2HG GLU 39 -4.475 0.608 -0.176 264 2HG GLU 39 1HG GLU 39 -2.919 0.344 -0.964 265 H ARG 40 H ARG 40 -0.587 4.054 1.570 266 HA ARG 40 HA ARG 40 -1.610 6.213 0.052 267 1HB ARG 40 2HB ARG 40 -0.466 5.857 2.617 268 2HB ARG 40 1HB ARG 40 0.482 7.084 1.789 269 1HG ARG 40 2HG ARG 40 -2.511 7.211 1.890 270 2HG ARG 40 1HG ARG 40 -1.502 7.858 3.187 271 1HD ARG 40 2HD ARG 40 -0.545 9.472 1.794 272 2HD ARG 40 1HD ARG 40 -1.041 8.632 0.327 273 HE ARG 40 HE ARG 40 -3.041 9.728 0.431 274 1HH1 ARG 40 1HH1 ARG 40 -1.523 9.896 3.569 275 2HH1 ARG 40 2HH1 ARG 40 -2.705 10.980 4.221 276 1HH2 ARG 40 1HH2 ARG 40 -4.597 11.153 1.287 277 2HH2 ARG 40 2HH2 ARG 40 -4.453 11.690 2.927 278 H HIS 41 H HIS 41 0.975 4.232 -0.502 279 HA HIS 41 HA HIS 41 2.628 6.304 -1.740 280 1HB HIS 41 2HB HIS 41 3.096 3.398 -1.111 281 2HB HIS 41 1HB HIS 41 4.192 4.318 -2.138 282 HD1 HIS 41 1HD HIS 41 5.491 6.303 -0.965 283 HD2 HIS 41 2HD HIS 41 3.387 3.795 1.583 284 HE1 HIS 41 1HE HIS 41 6.381 6.777 1.341 285 HE2 HIS 41 2HE HIS 41 4.885 5.450 2.865 286 H LEU 42 H LEU 42 0.639 3.517 -2.509 287 HA LEU 42 HA LEU 42 1.327 3.090 -5.153 288 1HB LEU 42 2HB LEU 42 -0.954 2.560 -3.393 289 2HB LEU 42 1HB LEU 42 -1.361 2.647 -5.085 290 HG LEU 42 HG LEU 42 0.319 0.644 -3.651 291 1HD1 LEU 42 1HD1 LEU 42 -2.064 0.739 -5.420 292 2HD1 LEU 42 2HD1 LEU 42 -1.788 -0.189 -3.940 293 3HD1 LEU 42 3HD1 LEU 42 -1.052 -0.708 -5.456 294 1HD2 LEU 42 1HD2 LEU 42 0.761 1.666 -6.399 295 2HD2 LEU 42 2HD2 LEU 42 0.755 -0.086 -6.192 296 3HD2 LEU 42 3HD2 LEU 42 1.889 0.907 -5.276 297 H SER 43 H SER 43 0.879 4.074 -7.027 298 HA SER 43 HA SER 43 -0.209 6.706 -6.992 299 1HB SER 43 2HB SER 43 1.301 5.170 -8.805 300 2HB SER 43 1HB SER 43 -0.195 5.624 -9.622 301 HG SER 43 HG SER 43 0.306 7.717 -9.429 302 H ALA 44 H ALA 44 -2.047 7.329 -8.346 303 HA ALA 44 HA ALA 44 -4.357 5.947 -7.600 304 1HB ALA 44 1HB ALA 44 -4.094 7.851 -9.920 305 2HB ALA 44 2HB ALA 44 -4.261 8.355 -8.237 306 3HB ALA 44 3HB ALA 44 -5.566 7.467 -9.026 307 H GLU 45 H GLU 45 -2.351 5.743 -10.429 308 HA GLU 45 HA GLU 45 -4.114 4.176 -11.963 309 1HB GLU 45 2HB GLU 45 -1.186 4.817 -12.171 310 2HB GLU 45 1HB GLU 45 -1.960 3.685 -13.273 311 1HG GLU 45 2HG GLU 45 -3.615 5.905 -13.310 312 2HG GLU 45 1HG GLU 45 -1.985 6.577 -13.264 313 H ASP 46 H ASP 46 -1.908 3.561 -9.392 314 HA ASP 46 HA ASP 46 -1.800 0.765 -10.038 315 1HB ASP 46 2HB ASP 46 -0.388 2.383 -7.934 316 2HB ASP 46 1HB ASP 46 -0.328 0.619 -7.966 317 H PHE 47 H PHE 47 -2.979 2.868 -7.416 318 HA PHE 47 HA PHE 47 -3.925 0.798 -5.793 319 1HB PHE 47 2HB PHE 47 -3.845 3.085 -4.968 320 2HB PHE 47 1HB PHE 47 -5.049 3.573 -6.161 321 HD1 PHE 47 1HD PHE 47 -7.358 2.538 -6.028 322 HD2 PHE 47 2HD PHE 47 -4.489 2.244 -2.897 323 HE1 PHE 47 1HE PHE 47 -9.139 1.976 -4.452 324 HE2 PHE 47 2HE PHE 47 -6.272 1.662 -1.317 325 HZ PHE 47 HZ PHE 47 -8.613 1.524 -2.093 326 H SER 48 H SER 48 -5.629 2.737 -8.101 327 HA SER 48 HA SER 48 -8.063 1.478 -8.105 328 1HB SER 48 2HB SER 48 -6.597 2.984 -10.236 329 2HB SER 48 1HB SER 48 -8.176 2.274 -10.567 330 HG SER 48 HG SER 48 -9.001 3.496 -8.816 331 H ARG 49 H ARG 49 -5.146 0.497 -9.677 332 HA ARG 49 HA ARG 49 -6.501 -1.647 -11.024 333 1HB ARG 49 2HB ARG 49 -3.967 -0.257 -11.382 334 2HB ARG 49 1HB ARG 49 -3.849 -1.996 -11.602 335 1HG ARG 49 2HG ARG 49 -4.927 -1.939 -13.555 336 2HG ARG 49 1HG ARG 49 -6.145 -0.814 -12.953 337 1HD ARG 49 2HD ARG 49 -4.939 0.254 -14.725 338 2HD ARG 49 1HD ARG 49 -4.490 1.021 -13.204 339 HE ARG 49 HE ARG 49 -2.346 0.247 -13.474 340 1HH1 ARG 49 1HH1 ARG 49 -4.443 -1.361 -15.754 341 2HH1 ARG 49 2HH1 ARG 49 -3.138 -2.072 -16.643 342 1HH2 ARG 49 1HH2 ARG 49 -0.629 -0.689 -14.642 343 2HH2 ARG 49 2HH2 ARG 49 -0.974 -1.693 -16.012 344 H VAL 50 H VAL 50 -4.674 -1.087 -8.255 345 HA VAL 50 HA VAL 50 -3.755 -3.762 -7.883 346 HB VAL 50 HB VAL 50 -3.547 -1.228 -6.337 347 1HG1 VAL 50 1HG1 VAL 50 -2.315 -3.647 -5.176 348 2HG1 VAL 50 2HG1 VAL 50 -4.020 -3.378 -4.843 349 3HG1 VAL 50 3HG1 VAL 50 -2.827 -2.165 -4.388 350 1HG2 VAL 50 1HG2 VAL 50 -1.594 -1.200 -7.313 351 2HG2 VAL 50 2HG2 VAL 50 -1.959 -2.699 -8.144 352 3HG2 VAL 50 3HG2 VAL 50 -1.147 -2.725 -6.577 353 H PHE 51 H PHE 51 -6.170 -1.656 -6.361 354 HA PHE 51 HA PHE 51 -7.234 -4.007 -4.977 355 1HB PHE 51 2HB PHE 51 -7.772 -1.108 -4.328 356 2HB PHE 51 1HB PHE 51 -8.167 -2.514 -3.342 357 HD1 PHE 51 1HD PHE 51 -5.676 -0.064 -4.158 358 HD2 PHE 51 2HD PHE 51 -6.287 -3.888 -2.393 359 HE1 PHE 51 1HE PHE 51 -3.505 0.121 -3.016 360 HE2 PHE 51 2HE PHE 51 -4.114 -3.716 -1.263 361 HZ PHE 51 HZ PHE 51 -2.715 -1.712 -1.568 362 H ALA 52 H ALA 52 -7.787 -2.350 -7.706 363 HA ALA 52 HA ALA 52 -9.522 -2.088 -9.125 364 1HB ALA 52 1HB ALA 52 -9.598 -4.560 -8.180 365 2HB ALA 52 2HB ALA 52 -10.756 -3.954 -9.369 366 3HB ALA 52 3HB ALA 52 -11.194 -4.020 -7.658 367 H MET 53 H MET 53 -9.457 -0.236 -7.005 368 HA MET 53 HA MET 53 -12.155 0.664 -7.134 369 1HB MET 53 2HB MET 53 -12.769 0.666 -4.889 370 2HB MET 53 1HB MET 53 -12.023 -0.908 -5.105 371 1HG MET 53 2HG MET 53 -9.900 0.137 -4.207 372 2HG MET 53 1HG MET 53 -10.902 1.510 -3.737 373 1HE MET 53 1HE MET 53 -10.131 -2.030 -3.644 374 2HE MET 53 2HE MET 53 -11.132 -2.780 -2.401 375 3HE MET 53 3HE MET 53 -9.631 -1.970 -1.953 376 H SER 54 H SER 54 -12.335 2.867 -5.880 377 HA SER 54 HA SER 54 -10.247 4.488 -6.912 378 1HB SER 54 2HB SER 54 -11.522 6.358 -5.885 379 2HB SER 54 1HB SER 54 -12.523 5.313 -6.892 380 HG SER 54 HG SER 54 -13.698 4.946 -5.205 381 HA PRO 55 HA PRO 55 -7.228 4.495 -3.705 382 1HB PRO 55 2HB PRO 55 -6.870 7.313 -3.807 383 2HB PRO 55 1HB PRO 55 -5.886 6.089 -4.613 384 1HG PRO 55 2HG PRO 55 -8.150 7.703 -5.682 385 2HG PRO 55 1HG PRO 55 -6.710 7.097 -6.518 386 1HD PRO 55 2HD PRO 55 -9.085 5.983 -6.907 387 2HD PRO 55 1HD PRO 55 -7.626 4.972 -6.782 388 H GLU 56 H GLU 56 -9.715 6.910 -3.832 389 HA GLU 56 HA GLU 56 -9.730 7.679 -1.152 390 1HB GLU 56 2HB GLU 56 -12.083 8.420 -1.792 391 2HB GLU 56 1HB GLU 56 -10.753 9.169 -2.647 392 1HG GLU 56 2HG GLU 56 -11.662 6.803 -3.996 393 2HG GLU 56 1HG GLU 56 -13.001 7.908 -3.712 394 H GLU 57 H GLU 57 -11.526 5.296 -3.017 395 HA GLU 57 HA GLU 57 -13.442 4.497 -1.321 396 1HB GLU 57 2HB GLU 57 -11.883 3.206 -3.422 397 2HB GLU 57 1HB GLU 57 -12.574 2.099 -2.265 398 1HG GLU 57 2HG GLU 57 -14.315 4.195 -3.436 399 2HG GLU 57 1HG GLU 57 -13.869 2.807 -4.429 400 H PHE 58 H PHE 58 -10.096 3.874 -1.198 401 HA PHE 58 HA PHE 58 -10.124 2.060 0.991 402 1HB PHE 58 2HB PHE 58 -8.203 2.937 -0.855 403 2HB PHE 58 1HB PHE 58 -7.610 3.448 0.715 404 HD1 PHE 58 1HD PHE 58 -6.095 2.004 1.628 405 HD2 PHE 58 2HD PHE 58 -9.326 0.412 -0.619 406 HE1 PHE 58 1HE PHE 58 -5.285 -0.262 2.078 407 HE2 PHE 58 2HE PHE 58 -8.521 -1.858 -0.173 408 HZ PHE 58 HZ PHE 58 -6.506 -2.186 1.185 409 H GLY 59 H GLY 59 -9.413 5.498 0.551 410 1HA GLY 59 2HA GLY 59 -8.651 6.136 3.150 411 2HA GLY 59 1HA GLY 59 -9.474 7.239 2.057 412 H LYS 60 H LYS 60 -11.757 5.173 2.028 413 HA LYS 60 HA LYS 60 -13.011 6.162 4.422 414 1HB LYS 60 2HB LYS 60 -14.127 6.827 2.386 415 2HB LYS 60 1HB LYS 60 -14.236 5.148 1.876 416 1HG LYS 60 2HG LYS 60 -15.445 5.432 4.451 417 2HG LYS 60 1HG LYS 60 -16.107 6.642 3.349 418 1HD LYS 60 2HD LYS 60 -17.413 4.580 3.275 419 2HD LYS 60 1HD LYS 60 -16.623 4.885 1.727 420 1HE LYS 60 2HE LYS 60 -14.806 3.329 2.426 421 2HE LYS 60 1HE LYS 60 -15.752 2.945 3.865 422 1HZ LYS 60 1HZ LYS 60 -17.161 1.672 2.697 423 2HZ LYS 60 2HZ LYS 60 -15.906 1.594 1.567 424 3HZ LYS 60 3HZ LYS 60 -17.169 2.696 1.350 425 H LEU 61 H LEU 61 -12.054 3.265 2.889 426 HA LEU 61 HA LEU 61 -13.743 1.383 4.012 427 1HB LEU 61 2HB LEU 61 -10.861 1.276 3.209 428 2HB LEU 61 1HB LEU 61 -11.655 -0.122 3.891 429 HG LEU 61 HG LEU 61 -12.766 1.273 1.482 430 1HD1 LEU 61 1HD1 LEU 61 -11.244 -1.156 0.979 431 2HD1 LEU 61 2HD1 LEU 61 -10.255 0.189 1.530 432 3HD1 LEU 61 3HD1 LEU 61 -11.269 0.370 0.099 433 1HD2 LEU 61 1HD2 LEU 61 -13.166 -1.359 2.835 434 2HD2 LEU 61 2HD2 LEU 61 -13.509 -1.181 1.115 435 3HD2 LEU 61 3HD2 LEU 61 -14.364 -0.185 2.293 436 H ALA 62 H ALA 62 -12.434 -0.403 5.513 437 HA ALA 62 HA ALA 62 -12.059 1.006 8.059 438 1HB ALA 62 1HB ALA 62 -12.498 -1.957 7.714 439 2HB ALA 62 2HB ALA 62 -13.836 -0.803 7.764 440 3HB ALA 62 3HB ALA 62 -12.758 -0.960 9.150 441 H LEU 63 H LEU 63 -10.693 -0.868 9.493 442 HA LEU 63 HA LEU 63 -8.064 -0.701 8.275 443 1HB LEU 63 2HB LEU 63 -9.005 -0.451 10.894 444 2HB LEU 63 1HB LEU 63 -8.106 -1.957 10.877 445 HG LEU 63 HG LEU 63 -6.668 -0.134 11.567 446 1HD1 LEU 63 1HD1 LEU 63 -6.038 -2.013 9.744 447 2HD1 LEU 63 2HD1 LEU 63 -4.879 -0.861 10.410 448 3HD1 LEU 63 3HD1 LEU 63 -5.630 -0.552 8.845 449 1HD2 LEU 63 1HD2 LEU 63 -7.259 1.111 8.885 450 2HD2 LEU 63 2HD2 LEU 63 -6.161 1.735 10.117 451 3HD2 LEU 63 3HD2 LEU 63 -7.896 1.676 10.429 452 H TRP 64 H TRP 64 -10.480 -2.976 8.990 453 HA TRP 64 HA TRP 64 -8.827 -5.268 8.783 454 1HB TRP 64 2HB TRP 64 -11.041 -6.490 8.847 455 2HB TRP 64 1HB TRP 64 -10.698 -5.470 10.241 456 HD1 TRP 64 HD TRP 64 -12.112 -3.130 10.412 457 HE1 TRP 64 1HE TRP 64 -14.430 -2.518 9.456 458 HE3 TRP 64 3HE TRP 64 -12.584 -6.819 6.939 459 HZ2 TRP 64 2HZ TRP 64 -16.219 -3.473 7.530 460 HZ3 TRP 64 3HZ TRP 64 -14.634 -6.914 5.573 461 HH2 TRP 64 HH TRP 64 -16.410 -5.261 5.872 462 H LYS 65 H LYS 65 -11.500 -3.968 6.808 463 HA LYS 65 HA LYS 65 -11.198 -5.761 4.704 464 1HB LYS 65 2HB LYS 65 -12.270 -3.877 3.313 465 2HB LYS 65 1HB LYS 65 -13.191 -4.524 4.656 466 1HG LYS 65 2HG LYS 65 -11.966 -2.490 5.887 467 2HG LYS 65 1HG LYS 65 -12.042 -1.856 4.248 468 1HD LYS 65 2HD LYS 65 -14.272 -2.588 6.097 469 2HD LYS 65 1HD LYS 65 -14.047 -1.121 5.153 470 1HE LYS 65 2HE LYS 65 -14.240 -2.974 3.183 471 2HE LYS 65 1HE LYS 65 -15.291 -3.679 4.410 472 1HZ LYS 65 1HZ LYS 65 -16.742 -1.927 4.306 473 2HZ LYS 65 2HZ LYS 65 -16.232 -1.993 2.695 474 3HZ LYS 65 3HZ LYS 65 -15.581 -0.834 3.739 475 H ARG 66 H ARG 66 -9.709 -2.631 5.319 476 HA ARG 66 HA ARG 66 -8.244 -2.396 2.948 477 1HB ARG 66 2HB ARG 66 -8.180 -1.255 5.666 478 2HB ARG 66 1HB ARG 66 -6.667 -1.194 4.796 479 1HG ARG 66 2HG ARG 66 -8.207 -0.225 2.883 480 2HG ARG 66 1HG ARG 66 -9.233 0.197 4.255 481 1HD ARG 66 2HD ARG 66 -7.591 1.967 3.525 482 2HD ARG 66 1HD ARG 66 -7.539 1.528 5.233 483 HE ARG 66 HE ARG 66 -5.690 -0.070 3.922 484 1HH1 ARG 66 1HH1 ARG 66 -6.182 3.328 4.556 485 2HH1 ARG 66 2HH1 ARG 66 -4.493 3.706 4.532 486 1HH2 ARG 66 1HH2 ARG 66 -3.467 0.426 3.891 487 2HH2 ARG 66 2HH2 ARG 66 -2.950 2.059 4.153 488 H ASN 67 H ASN 67 -7.597 -4.005 6.041 489 HA ASN 67 HA ASN 67 -4.945 -4.721 5.490 490 1HB ASN 67 2HB ASN 67 -7.002 -5.352 7.493 491 2HB ASN 67 1HB ASN 67 -5.812 -6.618 7.236 492 1HD2 ASN 67 1HD2 ASN 67 -6.181 -5.089 9.604 493 2HD2 ASN 67 2HD2 ASN 67 -4.723 -4.205 9.884 494 H GLU 68 H GLU 68 -8.022 -6.494 5.158 495 HA GLU 68 HA GLU 68 -6.902 -8.847 4.169 496 1HB GLU 68 2HB GLU 68 -9.585 -7.703 4.401 497 2HB GLU 68 1HB GLU 68 -9.399 -8.800 3.042 498 1HG GLU 68 2HG GLU 68 -8.381 -9.683 5.683 499 2HG GLU 68 1HG GLU 68 -10.127 -9.636 5.437 500 H LEU 69 H LEU 69 -7.434 -5.828 2.749 501 HA LEU 69 HA LEU 69 -7.315 -6.800 0.013 502 1HB LEU 69 2HB LEU 69 -7.624 -4.061 1.232 503 2HB LEU 69 1HB LEU 69 -7.462 -4.324 -0.500 504 HG LEU 69 HG LEU 69 -9.621 -5.632 1.130 505 1HD1 LEU 69 1HD1 LEU 69 -9.523 -2.993 1.035 506 2HD1 LEU 69 2HD1 LEU 69 -11.043 -3.869 0.858 507 3HD1 LEU 69 3HD1 LEU 69 -10.201 -3.267 -0.569 508 1HD2 LEU 69 1HD2 LEU 69 -8.686 -6.045 -1.430 509 2HD2 LEU 69 2HD2 LEU 69 -10.113 -5.031 -1.664 510 3HD2 LEU 69 3HD2 LEU 69 -10.250 -6.561 -0.793 511 H LYS 70 H LYS 70 -5.496 -4.522 2.039 512 HA LYS 70 HA LYS 70 -3.399 -4.000 0.357 513 1HB LYS 70 2HB LYS 70 -2.458 -2.980 2.156 514 2HB LYS 70 1HB LYS 70 -4.065 -3.194 2.803 515 1HG LYS 70 2HG LYS 70 -3.151 -5.403 3.761 516 2HG LYS 70 1HG LYS 70 -1.566 -4.690 3.452 517 1HD LYS 70 2HD LYS 70 -3.710 -3.262 5.006 518 2HD LYS 70 1HD LYS 70 -2.538 -4.335 5.773 519 1HE LYS 70 2HE LYS 70 -0.910 -2.807 5.658 520 2HE LYS 70 1HE LYS 70 -1.300 -2.396 3.988 521 1HZ LYS 70 1HZ LYS 70 -2.091 -1.096 6.438 522 2HZ LYS 70 2HZ LYS 70 -3.357 -1.310 5.337 523 3HZ LYS 70 3HZ LYS 70 -1.966 -0.469 4.871 524 H LYS 71 H LYS 71 -4.042 -6.862 2.215 525 HA LYS 71 HA LYS 71 -1.449 -7.966 1.969 526 1HB LYS 71 2HB LYS 71 -3.935 -8.722 3.185 527 2HB LYS 71 1HB LYS 71 -3.306 -10.072 2.252 528 1HG LYS 71 2HG LYS 71 -1.269 -10.075 3.490 529 2HG LYS 71 1HG LYS 71 -1.701 -8.570 4.303 530 1HD LYS 71 2HD LYS 71 -3.284 -11.123 4.540 531 2HD LYS 71 1HD LYS 71 -2.029 -10.635 5.680 532 1HE LYS 71 2HE LYS 71 -3.362 -9.134 6.679 533 2HE LYS 71 1HE LYS 71 -4.008 -8.551 5.146 534 1HZ LYS 71 1HZ LYS 71 -5.163 -10.943 5.296 535 2HZ LYS 71 2HZ LYS 71 -5.870 -9.530 5.901 536 3HZ LYS 71 3HZ LYS 71 -5.047 -10.577 6.945 537 H LYS 72 H LYS 72 -4.288 -7.940 0.036 538 HA LYS 72 HA LYS 72 -3.584 -10.012 -1.710 539 1HB LYS 72 2HB LYS 72 -5.672 -8.014 -1.543 540 2HB LYS 72 1HB LYS 72 -5.123 -8.227 -3.199 541 1HG LYS 72 2HG LYS 72 -6.194 -10.159 -3.395 542 2HG LYS 72 1HG LYS 72 -5.515 -10.770 -1.886 543 1HD LYS 72 2HD LYS 72 -7.491 -8.749 -1.345 544 2HD LYS 72 1HD LYS 72 -8.167 -10.001 -2.388 545 1HE LYS 72 2HE LYS 72 -6.595 -10.731 0.054 546 2HE LYS 72 1HE LYS 72 -8.296 -10.287 0.183 547 1HZ LYS 72 1HZ LYS 72 -7.830 -12.719 -0.062 548 2HZ LYS 72 2HZ LYS 72 -7.317 -12.407 -1.643 549 3HZ LYS 72 3HZ LYS 72 -8.916 -12.085 -1.194 550 H ALA 73 H ALA 73 -2.782 -6.702 -1.431 551 HA ALA 73 HA ALA 73 -1.368 -6.668 -3.953 552 1HB ALA 73 1HB ALA 73 -2.858 -4.783 -3.338 553 2HB ALA 73 2HB ALA 73 -1.194 -4.292 -3.662 554 3HB ALA 73 3HB ALA 73 -1.771 -4.419 -1.999 555 H SER 74 H SER 74 -0.782 -7.372 -0.708 556 HA SER 74 HA SER 74 1.145 -7.945 0.365 557 1HB SER 74 2HB SER 74 1.908 -8.381 -2.133 558 2HB SER 74 1HB SER 74 2.902 -6.955 -1.839 559 HG SER 74 HG SER 74 3.578 -8.133 0.137 560 H LEU 75 H LEU 75 -0.006 -5.080 -0.061 561 HA LEU 75 HA LEU 75 2.252 -3.404 0.559 562 1HB LEU 75 2HB LEU 75 -0.698 -2.777 0.722 563 2HB LEU 75 1HB LEU 75 0.611 -1.614 0.758 564 HG LEU 75 HG LEU 75 -0.490 -3.140 -1.556 565 1HD1 LEU 75 1HD1 LEU 75 -0.613 -1.043 -2.587 566 2HD1 LEU 75 2HD1 LEU 75 0.523 -0.320 -1.448 567 3HD1 LEU 75 3HD1 LEU 75 -1.103 -0.751 -0.917 568 1HD2 LEU 75 1HD2 LEU 75 1.663 -3.755 -1.990 569 2HD2 LEU 75 2HD2 LEU 75 2.352 -2.371 -1.141 570 3HD2 LEU 75 3HD2 LEU 75 1.643 -2.160 -2.742 571 H PHE 76 H PHE 76 0.450 -5.572 2.308 572 HA PHE 76 HA PHE 76 0.087 -4.237 4.756 573 1HB PHE 76 2HB PHE 76 -0.867 -6.518 3.861 574 2HB PHE 76 1HB PHE 76 0.567 -7.188 4.632 575 HD1 PHE 76 1HD PHE 76 -2.691 -7.063 5.146 576 HD2 PHE 76 2HD PHE 76 0.842 -5.665 7.066 577 HE1 PHE 76 1HE PHE 76 -3.864 -7.074 7.307 578 HE2 PHE 76 2HE PHE 76 -0.327 -5.671 9.229 579 HZ PHE 76 HZ PHE 76 -2.684 -6.378 9.352 Start of MODEL 10 1 HA PRO 9 HA PRO 9 0.553 16.900 2.749 2 1HB PRO 9 2HB PRO 9 -1.452 14.912 2.586 3 2HB PRO 9 1HB PRO 9 -1.669 16.664 2.501 4 1HG PRO 9 2HG PRO 9 -1.432 14.678 0.302 5 2HG PRO 9 1HG PRO 9 -2.357 16.189 0.363 6 1HD PRO 9 2HD PRO 9 -0.109 16.030 -1.063 7 2HD PRO 9 1HD PRO 9 -0.494 17.497 -0.142 8 H GLY 10 H GLY 10 0.408 13.595 1.390 9 1HA GLY 10 2HA GLY 10 1.662 12.613 3.865 10 2HA GLY 10 1HA GLY 10 0.735 11.635 2.738 11 H LEU 11 H LEU 11 2.404 10.104 2.588 12 HA LEU 11 HA LEU 11 5.048 10.778 1.865 13 1HB LEU 11 2HB LEU 11 3.806 8.107 1.323 14 2HB LEU 11 1HB LEU 11 5.467 8.477 1.746 15 HG LEU 11 HG LEU 11 4.004 9.360 3.943 16 1HD1 LEU 11 1HD1 LEU 11 2.263 7.740 2.627 17 2HD1 LEU 11 2HD1 LEU 11 2.263 8.016 4.368 18 3HD1 LEU 11 3HD1 LEU 11 3.067 6.595 3.700 19 1HD2 LEU 11 1HD2 LEU 11 5.932 7.283 3.276 20 2HD2 LEU 11 2HD2 LEU 11 4.901 6.857 4.641 21 3HD2 LEU 11 3HD2 LEU 11 5.849 8.344 4.682 22 H GLN 12 H GLN 12 6.086 10.694 -0.114 23 HA GLN 12 HA GLN 12 4.660 11.491 -2.359 24 1HB GLN 12 2HB GLN 12 7.333 11.283 -1.654 25 2HB GLN 12 1HB GLN 12 7.176 10.189 -3.022 26 1HG GLN 12 2HG GLN 12 6.068 12.957 -3.157 27 2HG GLN 12 1HG GLN 12 7.782 12.659 -3.436 28 1HE2 GLN 12 1HE2 GLN 12 4.551 12.169 -4.621 29 2HE2 GLN 12 2HE2 GLN 12 4.991 11.623 -6.200 30 H ILE 13 H ILE 13 3.901 10.476 -4.152 31 HA ILE 13 HA ILE 13 3.092 7.781 -3.935 32 HB ILE 13 HB ILE 13 3.132 9.560 -6.367 33 1HG1 ILE 13 2HG1 ILE 13 1.942 10.420 -4.280 34 2HG1 ILE 13 1HG1 ILE 13 0.992 10.334 -5.755 35 1HG2 ILE 13 1HG2 ILE 13 2.148 6.840 -5.890 36 2HG2 ILE 13 2HG2 ILE 13 2.533 7.671 -7.398 37 3HG2 ILE 13 3HG2 ILE 13 0.973 7.933 -6.626 38 1HD1 ILE 13 1HD1 ILE 13 0.803 7.892 -4.246 39 2HD1 ILE 13 2HD1 ILE 13 -0.474 8.967 -4.813 40 3HD1 ILE 13 3HD1 ILE 13 0.334 9.289 -3.279 41 H TYR 14 H TYR 14 3.970 5.962 -4.646 42 HA TYR 14 HA TYR 14 6.306 6.106 -6.429 43 1HB TYR 14 2HB TYR 14 5.850 4.130 -4.179 44 2HB TYR 14 1HB TYR 14 7.237 4.159 -5.261 45 HD1 TYR 14 1HD TYR 14 7.381 7.297 -5.209 46 HD2 TYR 14 2HD TYR 14 7.223 4.304 -2.193 47 HE1 TYR 14 1HE TYR 14 8.560 8.804 -3.664 48 HE2 TYR 14 2HE TYR 14 8.400 5.801 -0.637 49 HH TYR 14 HH TYR 14 9.918 7.753 -0.752 50 HA PRO 15 HA PRO 15 3.928 3.439 -9.026 51 1HB PRO 15 2HB PRO 15 5.891 2.278 -10.491 52 2HB PRO 15 1HB PRO 15 5.413 3.967 -10.702 53 1HG PRO 15 2HG PRO 15 7.726 2.829 -9.177 54 2HG PRO 15 1HG PRO 15 7.682 4.235 -10.259 55 1HD PRO 15 2HD PRO 15 7.612 4.461 -7.556 56 2HD PRO 15 1HD PRO 15 6.802 5.613 -8.636 57 H TYR 16 H TYR 16 4.078 2.355 -6.530 58 HA TYR 16 HA TYR 16 4.007 0.409 -5.354 59 1HB TYR 16 2HB TYR 16 2.376 -0.083 -7.170 60 2HB TYR 16 1HB TYR 16 3.671 -0.870 -8.061 61 HD1 TYR 16 1HD TYR 16 3.865 -3.163 -7.873 62 HD2 TYR 16 2HD TYR 16 2.076 -1.004 -4.672 63 HE1 TYR 16 1HE TYR 16 3.361 -5.276 -6.734 64 HE2 TYR 16 2HE TYR 16 1.571 -3.114 -3.517 65 HH TYR 16 HH TYR 16 2.012 -6.201 -5.070 66 H GLU 17 H GLU 17 5.588 -0.687 -8.270 67 HA GLU 17 HA GLU 17 7.258 -2.582 -7.282 68 1HB GLU 17 2HB GLU 17 7.837 -0.637 -9.517 69 2HB GLU 17 1HB GLU 17 8.746 -2.112 -9.219 70 1HG GLU 17 2HG GLU 17 6.770 -3.448 -9.637 71 2HG GLU 17 1HG GLU 17 5.807 -1.988 -9.858 72 H MET 18 H MET 18 7.604 0.854 -6.998 73 HA MET 18 HA MET 18 10.338 0.974 -6.375 74 1HB MET 18 2HB MET 18 8.107 2.772 -6.398 75 2HB MET 18 1HB MET 18 8.998 2.987 -4.897 76 1HG MET 18 2HG MET 18 10.593 2.844 -7.378 77 2HG MET 18 1HG MET 18 9.591 4.277 -7.155 78 1HE MET 18 1HE MET 18 13.293 3.168 -6.466 79 2HE MET 18 2HE MET 18 12.179 1.956 -5.833 80 3HE MET 18 3HE MET 18 13.180 2.896 -4.726 81 H LEU 19 H LEU 19 7.616 -0.110 -4.627 82 HA LEU 19 HA LEU 19 9.131 -0.212 -2.108 83 1HB LEU 19 2HB LEU 19 6.167 -0.539 -2.530 84 2HB LEU 19 1HB LEU 19 6.996 -0.386 -0.991 85 HG LEU 19 HG LEU 19 7.409 1.876 -2.822 86 1HD1 LEU 19 1HD1 LEU 19 5.305 2.475 -3.227 87 2HD1 LEU 19 2HD1 LEU 19 4.831 2.181 -1.556 88 3HD1 LEU 19 3HD1 LEU 19 4.824 0.859 -2.718 89 1HD2 LEU 19 1HD2 LEU 19 7.666 1.349 -0.113 90 2HD2 LEU 19 2HD2 LEU 19 6.254 2.401 -0.214 91 3HD2 LEU 19 3HD2 LEU 19 7.795 2.924 -0.893 92 H VAL 20 H VAL 20 7.451 -2.055 -4.531 93 HA VAL 20 HA VAL 20 6.927 -4.453 -3.336 94 HB VAL 20 HB VAL 20 8.020 -3.991 -6.111 95 1HG1 VAL 20 1HG1 VAL 20 6.821 -6.436 -4.843 96 2HG1 VAL 20 2HG1 VAL 20 8.352 -6.289 -5.704 97 3HG1 VAL 20 3HG1 VAL 20 6.828 -6.185 -6.587 98 1HG2 VAL 20 1HG2 VAL 20 5.223 -4.213 -5.022 99 2HG2 VAL 20 2HG2 VAL 20 5.624 -4.220 -6.739 100 3HG2 VAL 20 3HG2 VAL 20 5.978 -2.801 -5.755 101 H VAL 21 H VAL 21 8.434 -5.031 -1.762 102 HA VAL 21 HA VAL 21 11.015 -5.923 -2.790 103 HB VAL 21 HB VAL 21 10.346 -5.140 0.046 104 1HG1 VAL 21 1HG1 VAL 21 12.762 -6.330 -1.230 105 2HG1 VAL 21 2HG1 VAL 21 12.029 -6.675 0.336 106 3HG1 VAL 21 3HG1 VAL 21 12.968 -5.200 0.107 107 1HG2 VAL 21 1HG2 VAL 21 10.781 -3.449 -2.052 108 2HG2 VAL 21 2HG2 VAL 21 12.402 -3.629 -1.382 109 3HG2 VAL 21 3HG2 VAL 21 11.082 -3.064 -0.358 110 H THR 22 H THR 22 11.037 -8.050 -3.062 111 HA THR 22 HA THR 22 9.656 -9.726 -1.122 112 HB THR 22 HB THR 22 10.169 -10.926 -3.721 113 HG1 THR 22 1HG THR 22 8.530 -8.662 -3.437 114 1HG2 THR 22 1HG2 THR 22 7.487 -10.686 -2.470 115 2HG2 THR 22 2HG2 THR 22 8.693 -11.755 -1.750 116 3HG2 THR 22 3HG2 THR 22 8.175 -12.004 -3.419 117 H ASN 23 H ASN 23 11.229 -10.341 0.213 118 HA ASN 23 HA ASN 23 13.026 -12.336 -0.510 119 1HB ASN 23 2HB ASN 23 14.063 -10.151 -1.542 120 2HB ASN 23 1HB ASN 23 14.585 -9.857 0.113 121 1HD2 ASN 23 1HD2 ASN 23 16.747 -10.050 -0.496 122 2HD2 ASN 23 2HD2 ASN 23 17.466 -11.585 -0.829 123 H LYS 24 H LYS 24 14.034 -13.261 1.271 124 HA LYS 24 HA LYS 24 12.846 -12.947 3.743 125 1HB LYS 24 2HB LYS 24 15.635 -14.008 3.283 126 2HB LYS 24 1HB LYS 24 14.566 -14.390 4.625 127 1HG LYS 24 2HG LYS 24 14.210 -15.169 1.740 128 2HG LYS 24 1HG LYS 24 14.576 -16.230 3.102 129 1HD LYS 24 2HD LYS 24 12.382 -15.499 4.110 130 2HD LYS 24 1HD LYS 24 12.024 -14.723 2.566 131 1HE LYS 24 2HE LYS 24 12.752 -17.632 2.802 132 2HE LYS 24 1HE LYS 24 11.089 -17.055 2.901 133 1HZ LYS 24 1HZ LYS 24 12.267 -17.769 0.627 134 2HZ LYS 24 2HZ LYS 24 12.621 -16.116 0.620 135 3HZ LYS 24 3HZ LYS 24 11.013 -16.634 0.706 136 H GLY 25 H GLY 25 14.282 -12.562 5.815 137 1HA GLY 25 2HA GLY 25 15.443 -11.079 7.136 138 2HA GLY 25 1HA GLY 25 16.282 -10.547 5.688 139 H ARG 26 H ARG 26 14.796 -9.257 8.107 140 HA ARG 26 HA ARG 26 12.623 -7.796 7.222 141 1HB ARG 26 2HB ARG 26 13.406 -6.082 8.958 142 2HB ARG 26 1HB ARG 26 13.060 -7.710 9.523 143 1HG ARG 26 2HG ARG 26 15.844 -7.264 8.722 144 2HG ARG 26 1HG ARG 26 15.305 -6.311 10.106 145 1HD ARG 26 2HD ARG 26 15.288 -8.094 11.446 146 2HD ARG 26 1HD ARG 26 14.420 -9.070 10.262 147 HE ARG 26 HE ARG 26 17.206 -8.693 9.648 148 1HH1 ARG 26 1HH1 ARG 26 14.891 -10.650 11.378 149 2HH1 ARG 26 2HH1 ARG 26 15.913 -12.048 11.413 150 1HH2 ARG 26 1HH2 ARG 26 18.550 -10.531 9.694 151 2HH2 ARG 26 2HH2 ARG 26 17.989 -11.981 10.458 152 H THR 27 H THR 27 12.902 -7.068 5.113 153 HA THR 27 HA THR 27 15.112 -5.541 4.261 154 HB THR 27 HB THR 27 14.096 -6.400 2.430 155 HG1 THR 27 1HG THR 27 14.169 -4.207 2.028 156 1HG2 THR 27 1HG2 THR 27 11.480 -6.094 2.173 157 2HG2 THR 27 2HG2 THR 27 11.564 -6.127 3.935 158 3HG2 THR 27 3HG2 THR 27 12.186 -7.484 2.996 159 H LYS 28 H LYS 28 15.016 -3.338 3.473 160 HA LYS 28 HA LYS 28 13.564 -1.624 5.375 161 1HB LYS 28 2HB LYS 28 16.105 -1.142 3.814 162 2HB LYS 28 1HB LYS 28 15.295 0.093 4.768 163 1HG LYS 28 2HG LYS 28 15.544 -1.436 6.752 164 2HG LYS 28 1HG LYS 28 16.593 -2.433 5.745 165 1HD LYS 28 2HD LYS 28 17.998 -0.398 5.347 166 2HD LYS 28 1HD LYS 28 17.015 0.442 6.547 167 1HE LYS 28 2HE LYS 28 18.339 -2.163 7.206 168 2HE LYS 28 1HE LYS 28 19.245 -0.651 7.280 169 1HZ LYS 28 1HZ LYS 28 16.669 -0.650 8.620 170 2HZ LYS 28 2HZ LYS 28 18.143 0.023 9.105 171 3HZ LYS 28 3HZ LYS 28 17.857 -1.630 9.321 172 H LEU 29 H LEU 29 12.172 -0.100 4.672 173 HA LEU 29 HA LEU 29 11.356 -0.169 1.934 174 1HB LEU 29 2HB LEU 29 10.345 1.796 3.949 175 2HB LEU 29 1HB LEU 29 9.500 1.101 2.576 176 HG LEU 29 HG LEU 29 10.307 -0.543 4.966 177 1HD1 LEU 29 1HD1 LEU 29 8.407 1.560 4.900 178 2HD1 LEU 29 2HD1 LEU 29 8.717 0.395 6.191 179 3HD1 LEU 29 3HD1 LEU 29 7.521 0.032 4.947 180 1HD2 LEU 29 1HD2 LEU 29 8.760 -2.128 4.145 181 2HD2 LEU 29 2HD2 LEU 29 9.706 -1.613 2.748 182 3HD2 LEU 29 3HD2 LEU 29 8.079 -0.979 2.993 183 HA PRO 30 HA PRO 30 13.281 3.356 0.114 184 1HB PRO 30 2HB PRO 30 10.577 4.581 -0.201 185 2HB PRO 30 1HB PRO 30 11.837 4.311 -1.412 186 1HG PRO 30 2HG PRO 30 9.701 2.746 -1.349 187 2HG PRO 30 1HG PRO 30 11.308 2.054 -1.644 188 1HD PRO 30 2HD PRO 30 9.659 2.023 0.851 189 2HD PRO 30 1HD PRO 30 10.687 0.749 0.163 190 HA PRO 31 HA PRO 31 13.724 6.726 2.928 191 1HB PRO 31 2HB PRO 31 13.189 8.714 0.801 192 2HB PRO 31 1HB PRO 31 14.630 8.494 1.798 193 1HG PRO 31 2HG PRO 31 14.621 7.805 -0.783 194 2HG PRO 31 1HG PRO 31 15.493 6.842 0.425 195 1HD PRO 31 2HD PRO 31 12.852 6.309 -0.881 196 2HD PRO 31 1HD PRO 31 14.161 5.178 -0.481 197 H GLY 32 H GLY 32 11.960 6.639 4.277 198 1HA GLY 32 2HA GLY 32 10.163 7.679 5.319 199 2HA GLY 32 1HA GLY 32 9.978 8.710 3.909 200 H VAL 33 H VAL 33 9.554 5.311 4.877 201 HA VAL 33 HA VAL 33 7.074 5.279 3.386 202 HB VAL 33 HB VAL 33 9.102 3.114 3.486 203 1HG1 VAL 33 1HG1 VAL 33 6.276 3.085 2.518 204 2HG1 VAL 33 2HG1 VAL 33 7.073 1.946 3.599 205 3HG1 VAL 33 3HG1 VAL 33 7.479 1.965 1.884 206 1HG2 VAL 33 1HG2 VAL 33 8.535 5.234 1.679 207 2HG2 VAL 33 2HG2 VAL 33 8.360 3.680 0.865 208 3HG2 VAL 33 3HG2 VAL 33 9.879 4.097 1.663 209 H ASP 34 H ASP 34 5.448 3.957 4.090 210 HA ASP 34 HA ASP 34 5.605 3.361 6.950 211 1HB ASP 34 2HB ASP 34 3.879 4.941 5.526 212 2HB ASP 34 1HB ASP 34 2.961 3.440 5.674 213 H ARG 35 H ARG 35 6.284 1.252 6.989 214 HA ARG 35 HA ARG 35 5.610 -0.797 5.253 215 1HB ARG 35 2HB ARG 35 6.999 -0.553 7.695 216 2HB ARG 35 1HB ARG 35 5.808 -1.823 7.939 217 1HG ARG 35 2HG ARG 35 7.032 -2.231 5.408 218 2HG ARG 35 1HG ARG 35 8.301 -1.963 6.604 219 1HD ARG 35 2HD ARG 35 6.202 -3.722 7.582 220 2HD ARG 35 1HD ARG 35 6.970 -4.340 6.120 221 HE ARG 35 HE ARG 35 8.836 -3.443 8.113 222 1HH1 ARG 35 1HH1 ARG 35 6.902 -6.130 7.008 223 2HH1 ARG 35 2HH1 ARG 35 7.907 -7.324 7.756 224 1HH2 ARG 35 1HH2 ARG 35 10.160 -5.014 9.097 225 2HH2 ARG 35 2HH2 ARG 35 9.757 -6.691 8.943 226 H MET 36 H MET 36 3.831 0.515 7.960 227 HA MET 36 HA MET 36 1.816 -1.534 7.829 228 1HB MET 36 2HB MET 36 2.019 0.947 9.532 229 2HB MET 36 1HB MET 36 0.745 -0.256 9.671 230 1HG MET 36 2HG MET 36 2.001 -1.551 10.949 231 2HG MET 36 1HG MET 36 3.333 -1.504 9.796 232 1HE MET 36 1HE MET 36 4.875 1.306 9.879 233 2HE MET 36 2HE MET 36 5.282 -0.409 9.927 234 3HE MET 36 3HE MET 36 5.880 0.675 11.183 235 H ARG 37 H ARG 37 2.422 1.512 6.420 236 HA ARG 37 HA ARG 37 -0.285 1.531 5.297 237 1HB ARG 37 2HB ARG 37 1.167 3.931 6.421 238 2HB ARG 37 1HB ARG 37 -0.299 4.022 5.456 239 1HG ARG 37 2HG ARG 37 -0.389 2.274 7.835 240 2HG ARG 37 1HG ARG 37 -0.302 4.013 8.123 241 1HD ARG 37 2HD ARG 37 -2.202 4.092 6.321 242 2HD ARG 37 1HD ARG 37 -2.435 2.409 6.787 243 HE ARG 37 HE ARG 37 -3.167 4.721 8.288 244 1HH1 ARG 37 1HH1 ARG 37 -2.114 1.407 8.587 245 2HH1 ARG 37 2HH1 ARG 37 -2.840 1.185 10.143 246 1HH2 ARG 37 1HH2 ARG 37 -4.122 4.432 10.335 247 2HH2 ARG 37 2HH2 ARG 37 -3.982 2.901 11.135 248 H LEU 38 H LEU 38 1.176 0.419 3.670 249 HA LEU 38 HA LEU 38 2.975 2.058 2.168 250 1HB LEU 38 2HB LEU 38 2.163 -0.720 2.287 251 2HB LEU 38 1HB LEU 38 2.280 -0.171 0.635 252 HG LEU 38 HG LEU 38 4.402 -0.954 0.916 253 1HD1 LEU 38 1HD1 LEU 38 4.652 1.789 2.127 254 2HD1 LEU 38 2HD1 LEU 38 4.637 1.413 0.403 255 3HD1 LEU 38 3HD1 LEU 38 5.965 0.851 1.418 256 1HD2 LEU 38 1HD2 LEU 38 3.808 -0.538 3.764 257 2HD2 LEU 38 2HD2 LEU 38 5.507 -0.393 3.312 258 3HD2 LEU 38 3HD2 LEU 38 4.623 -1.875 2.953 259 H GLU 39 H GLU 39 -0.328 1.190 2.026 260 HA GLU 39 HA GLU 39 -1.010 1.630 -0.615 261 1HB GLU 39 2HB GLU 39 -3.255 2.400 0.328 262 2HB GLU 39 1HB GLU 39 -2.710 0.789 0.770 263 1HG GLU 39 2HG GLU 39 -1.958 2.971 2.604 264 2HG GLU 39 1HG GLU 39 -3.672 2.567 2.520 265 H ARG 40 H ARG 40 -0.097 3.922 1.811 266 HA ARG 40 HA ARG 40 -1.156 6.218 0.546 267 1HB ARG 40 2HB ARG 40 1.143 6.106 2.488 268 2HB ARG 40 1HB ARG 40 0.126 7.495 2.136 269 1HG ARG 40 2HG ARG 40 -1.563 5.371 2.954 270 2HG ARG 40 1HG ARG 40 -0.230 5.484 4.104 271 1HD ARG 40 2HD ARG 40 -1.321 7.166 5.068 272 2HD ARG 40 1HD ARG 40 -0.984 8.123 3.626 273 HE ARG 40 HE ARG 40 -3.215 6.770 2.940 274 1HH1 ARG 40 1HH1 ARG 40 -2.386 8.725 5.710 275 2HH1 ARG 40 2HH1 ARG 40 -4.013 9.253 5.982 276 1HH2 ARG 40 1HH2 ARG 40 -5.355 7.464 3.295 277 2HH2 ARG 40 2HH2 ARG 40 -5.698 8.539 4.609 278 H HIS 41 H HIS 41 1.338 4.211 -0.322 279 HA HIS 41 HA HIS 41 2.894 6.328 -1.619 280 1HB HIS 41 2HB HIS 41 3.457 3.413 -1.094 281 2HB HIS 41 1HB HIS 41 4.471 4.400 -2.142 282 HD1 HIS 41 1HD HIS 41 5.803 6.355 -0.974 283 HD2 HIS 41 2HD HIS 41 3.866 3.745 1.603 284 HE1 HIS 41 1HE HIS 41 6.785 6.794 1.300 285 HE2 HIS 41 2HE HIS 41 5.384 5.406 2.859 286 H LEU 42 H LEU 42 0.831 3.577 -2.293 287 HA LEU 42 HA LEU 42 1.367 3.173 -4.980 288 1HB LEU 42 2HB LEU 42 -0.808 2.636 -3.091 289 2HB LEU 42 1HB LEU 42 -1.311 2.738 -4.755 290 HG LEU 42 HG LEU 42 0.378 0.693 -3.414 291 1HD1 LEU 42 1HD1 LEU 42 -1.981 0.870 -5.205 292 2HD1 LEU 42 2HD1 LEU 42 -1.753 -0.079 -3.733 293 3HD1 LEU 42 3HD1 LEU 42 -1.004 -0.600 -5.244 294 1HD2 LEU 42 1HD2 LEU 42 0.798 1.725 -6.176 295 2HD2 LEU 42 2HD2 LEU 42 0.866 -0.017 -5.913 296 3HD2 LEU 42 3HD2 LEU 42 1.960 1.051 -5.034 297 H SER 43 H SER 43 0.804 4.172 -6.812 298 HA SER 43 HA SER 43 -0.294 6.808 -6.675 299 1HB SER 43 2HB SER 43 1.196 5.351 -8.564 300 2HB SER 43 1HB SER 43 -0.338 5.768 -9.328 301 HG SER 43 HG SER 43 0.121 7.964 -8.507 302 H ALA 44 H ALA 44 -2.177 7.427 -7.993 303 HA ALA 44 HA ALA 44 -4.443 5.980 -7.217 304 1HB ALA 44 1HB ALA 44 -4.278 7.949 -9.492 305 2HB ALA 44 2HB ALA 44 -4.419 8.406 -7.792 306 3HB ALA 44 3HB ALA 44 -5.720 7.507 -8.575 307 H GLU 45 H GLU 45 -2.500 5.902 -10.096 308 HA GLU 45 HA GLU 45 -4.263 4.301 -11.607 309 1HB GLU 45 2HB GLU 45 -1.307 4.779 -11.985 310 2HB GLU 45 1HB GLU 45 -2.399 4.085 -13.177 311 1HG GLU 45 2HG GLU 45 -3.560 6.144 -13.432 312 2HG GLU 45 1HG GLU 45 -2.723 6.853 -12.051 313 H ASP 46 H ASP 46 -1.946 3.744 -9.135 314 HA ASP 46 HA ASP 46 -1.670 0.979 -9.849 315 1HB ASP 46 2HB ASP 46 -0.359 2.648 -7.723 316 2HB ASP 46 1HB ASP 46 -0.202 0.891 -7.756 317 H PHE 47 H PHE 47 -2.981 2.937 -7.181 318 HA PHE 47 HA PHE 47 -3.802 0.768 -5.613 319 1HB PHE 47 2HB PHE 47 -3.828 3.041 -4.733 320 2HB PHE 47 1HB PHE 47 -5.073 3.490 -5.897 321 HD1 PHE 47 1HD PHE 47 -7.292 2.212 -5.783 322 HD2 PHE 47 2HD PHE 47 -4.420 2.242 -2.642 323 HE1 PHE 47 1HE PHE 47 -9.026 1.533 -4.195 324 HE2 PHE 47 2HE PHE 47 -6.155 1.549 -1.046 325 HZ PHE 47 HZ PHE 47 -8.469 1.193 -1.829 326 H SER 48 H SER 48 -5.639 2.701 -7.834 327 HA SER 48 HA SER 48 -7.977 1.262 -7.894 328 1HB SER 48 2HB SER 48 -6.644 3.013 -9.917 329 2HB SER 48 1HB SER 48 -8.137 2.171 -10.330 330 HG SER 48 HG SER 48 -8.930 3.950 -9.462 331 H ARG 49 H ARG 49 -4.986 0.563 -9.448 332 HA ARG 49 HA ARG 49 -6.155 -1.577 -10.966 333 1HB ARG 49 2HB ARG 49 -3.513 -0.218 -10.999 334 2HB ARG 49 1HB ARG 49 -3.644 -1.834 -11.677 335 1HG ARG 49 2HG ARG 49 -5.637 -0.829 -13.008 336 2HG ARG 49 1HG ARG 49 -4.881 0.716 -12.612 337 1HD ARG 49 2HD ARG 49 -2.857 -1.073 -13.512 338 2HD ARG 49 1HD ARG 49 -4.191 -1.119 -14.664 339 HE ARG 49 HE ARG 49 -2.400 1.077 -14.165 340 1HH1 ARG 49 1HH1 ARG 49 -5.538 0.155 -15.384 341 2HH1 ARG 49 2HH1 ARG 49 -5.700 1.559 -16.384 342 1HH2 ARG 49 1HH2 ARG 49 -2.614 2.925 -15.476 343 2HH2 ARG 49 2HH2 ARG 49 -4.040 3.132 -16.436 344 H VAL 50 H VAL 50 -4.507 -1.063 -8.086 345 HA VAL 50 HA VAL 50 -3.453 -3.713 -7.824 346 HB VAL 50 HB VAL 50 -3.343 -1.220 -6.203 347 1HG1 VAL 50 1HG1 VAL 50 -1.971 -3.499 -5.003 348 2HG1 VAL 50 2HG1 VAL 50 -3.718 -3.557 -4.850 349 3HG1 VAL 50 3HG1 VAL 50 -2.824 -2.170 -4.240 350 1HG2 VAL 50 1HG2 VAL 50 -1.404 -1.111 -7.204 351 2HG2 VAL 50 2HG2 VAL 50 -1.650 -2.668 -7.974 352 3HG2 VAL 50 3HG2 VAL 50 -0.882 -2.573 -6.387 353 H PHE 51 H PHE 51 -5.928 -1.727 -6.250 354 HA PHE 51 HA PHE 51 -6.905 -4.114 -4.886 355 1HB PHE 51 2HB PHE 51 -7.507 -1.203 -4.334 356 2HB PHE 51 1HB PHE 51 -8.059 -2.571 -3.370 357 HD1 PHE 51 1HD PHE 51 -6.308 -4.041 -2.280 358 HD2 PHE 51 2HD PHE 51 -5.426 -0.209 -3.917 359 HE1 PHE 51 1HE PHE 51 -4.247 -3.950 -0.949 360 HE2 PHE 51 2HE PHE 51 -3.369 -0.105 -2.569 361 HZ PHE 51 HZ PHE 51 -2.769 -1.981 -1.087 362 H ALA 52 H ALA 52 -7.497 -2.530 -7.658 363 HA ALA 52 HA ALA 52 -9.205 -2.423 -9.129 364 1HB ALA 52 1HB ALA 52 -9.183 -4.862 -8.068 365 2HB ALA 52 2HB ALA 52 -10.305 -4.370 -9.342 366 3HB ALA 52 3HB ALA 52 -10.831 -4.383 -7.655 367 H MET 53 H MET 53 -9.276 -0.539 -7.004 368 HA MET 53 HA MET 53 -11.975 0.303 -7.270 369 1HB MET 53 2HB MET 53 -12.714 0.289 -5.053 370 2HB MET 53 1HB MET 53 -11.972 -1.288 -5.263 371 1HG MET 53 2HG MET 53 -9.884 -0.255 -4.247 372 2HG MET 53 1HG MET 53 -10.925 1.088 -3.773 373 1HE MET 53 1HE MET 53 -9.993 -2.367 -3.732 374 2HE MET 53 2HE MET 53 -11.192 -3.246 -2.783 375 3HE MET 53 3HE MET 53 -9.792 -2.525 -1.988 376 H SER 54 H SER 54 -12.290 2.530 -6.360 377 HA SER 54 HA SER 54 -10.143 4.161 -7.110 378 1HB SER 54 2HB SER 54 -11.514 5.995 -6.006 379 2HB SER 54 1HB SER 54 -12.331 5.076 -7.268 380 HG SER 54 HG SER 54 -13.675 5.283 -5.468 381 HA PRO 55 HA PRO 55 -7.571 4.551 -3.613 382 1HB PRO 55 2HB PRO 55 -7.661 7.495 -3.955 383 2HB PRO 55 1HB PRO 55 -6.267 6.407 -4.000 384 1HG PRO 55 2HG PRO 55 -7.196 7.486 -6.253 385 2HG PRO 55 1HG PRO 55 -6.653 5.797 -6.221 386 1HD PRO 55 2HD PRO 55 -9.441 6.882 -6.128 387 2HD PRO 55 1HD PRO 55 -8.787 5.528 -7.077 388 H GLU 56 H GLU 56 -10.207 6.773 -3.931 389 HA GLU 56 HA GLU 56 -10.514 7.494 -1.254 390 1HB GLU 56 2HB GLU 56 -12.875 8.007 -2.109 391 2HB GLU 56 1HB GLU 56 -11.547 8.929 -2.780 392 1HG GLU 56 2HG GLU 56 -12.252 6.479 -4.229 393 2HG GLU 56 1HG GLU 56 -13.501 7.721 -4.208 394 H GLU 57 H GLU 57 -11.842 4.977 -3.306 395 HA GLU 57 HA GLU 57 -13.839 3.953 -1.839 396 1HB GLU 57 2HB GLU 57 -11.929 2.877 -3.754 397 2HB GLU 57 1HB GLU 57 -12.601 1.677 -2.679 398 1HG GLU 57 2HG GLU 57 -14.624 3.447 -3.757 399 2HG GLU 57 1HG GLU 57 -13.720 2.607 -5.015 400 H PHE 58 H PHE 58 -10.471 3.627 -1.394 401 HA PHE 58 HA PHE 58 -10.496 1.828 0.787 402 1HB PHE 58 2HB PHE 58 -8.545 2.901 -0.865 403 2HB PHE 58 1HB PHE 58 -8.199 3.622 0.700 404 HD1 PHE 58 1HD PHE 58 -9.457 0.261 -0.248 405 HD2 PHE 58 2HD PHE 58 -6.390 2.526 1.611 406 HE1 PHE 58 1HE PHE 58 -8.365 -1.817 0.477 407 HE2 PHE 58 2HE PHE 58 -5.291 0.459 2.339 408 HZ PHE 58 HZ PHE 58 -6.287 -1.706 1.768 409 H GLY 59 H GLY 59 -10.123 5.341 0.463 410 1HA GLY 59 2HA GLY 59 -9.788 5.977 3.157 411 2HA GLY 59 1HA GLY 59 -10.516 7.040 1.962 412 H LYS 60 H LYS 60 -12.628 4.868 1.546 413 HA LYS 60 HA LYS 60 -14.325 5.762 3.680 414 1HB LYS 60 2HB LYS 60 -14.738 5.033 0.889 415 2HB LYS 60 1HB LYS 60 -15.979 4.415 1.971 416 1HG LYS 60 2HG LYS 60 -16.905 6.422 2.222 417 2HG LYS 60 1HG LYS 60 -15.345 7.203 2.486 418 1HD LYS 60 2HD LYS 60 -16.040 6.325 -0.273 419 2HD LYS 60 1HD LYS 60 -16.834 7.762 0.375 420 1HE LYS 60 2HE LYS 60 -14.439 8.498 1.022 421 2HE LYS 60 1HE LYS 60 -13.923 7.281 -0.145 422 1HZ LYS 60 1HZ LYS 60 -14.298 9.715 -0.900 423 2HZ LYS 60 2HZ LYS 60 -15.933 9.279 -0.932 424 3HZ LYS 60 3HZ LYS 60 -14.817 8.446 -1.892 425 H LEU 61 H LEU 61 -12.949 2.892 2.410 426 HA LEU 61 HA LEU 61 -14.569 0.922 3.467 427 1HB LEU 61 2HB LEU 61 -11.611 1.022 2.984 428 2HB LEU 61 1HB LEU 61 -12.385 -0.416 3.601 429 HG LEU 61 HG LEU 61 -13.301 0.853 1.045 430 1HD1 LEU 61 1HD1 LEU 61 -11.543 -1.452 0.770 431 2HD1 LEU 61 2HD1 LEU 61 -10.730 -0.026 1.409 432 3HD1 LEU 61 3HD1 LEU 61 -11.579 0.063 -0.131 433 1HD2 LEU 61 1HD2 LEU 61 -13.530 -1.880 2.273 434 2HD2 LEU 61 2HD2 LEU 61 -13.934 -1.538 0.593 435 3HD2 LEU 61 3HD2 LEU 61 -14.826 -0.749 1.893 436 H ALA 62 H ALA 62 -13.309 -0.682 5.171 437 HA ALA 62 HA ALA 62 -13.269 0.854 7.669 438 1HB ALA 62 1HB ALA 62 -13.446 -2.146 7.432 439 2HB ALA 62 2HB ALA 62 -14.869 -1.105 7.298 440 3HB ALA 62 3HB ALA 62 -13.922 -1.112 8.785 441 H LEU 63 H LEU 63 -11.898 -0.875 9.292 442 HA LEU 63 HA LEU 63 -9.190 -0.520 8.305 443 1HB LEU 63 2HB LEU 63 -10.442 -0.480 10.877 444 2HB LEU 63 1HB LEU 63 -9.172 -1.691 10.883 445 HG LEU 63 HG LEU 63 -8.302 0.420 11.681 446 1HD1 LEU 63 1HD1 LEU 63 -7.131 -1.147 9.814 447 2HD1 LEU 63 2HD1 LEU 63 -6.340 0.216 10.605 448 3HD1 LEU 63 3HD1 LEU 63 -7.070 0.423 9.014 449 1HD2 LEU 63 1HD2 LEU 63 -8.143 2.209 9.704 450 2HD2 LEU 63 2HD2 LEU 63 -9.467 2.186 10.869 451 3HD2 LEU 63 3HD2 LEU 63 -9.679 1.456 9.277 452 H TRP 64 H TRP 64 -11.474 -2.967 8.870 453 HA TRP 64 HA TRP 64 -9.630 -5.121 8.868 454 1HB TRP 64 2HB TRP 64 -11.742 -6.519 8.793 455 2HB TRP 64 1HB TRP 64 -11.587 -5.448 10.183 456 HD1 TRP 64 HD TRP 64 -13.184 -3.222 10.183 457 HE1 TRP 64 1HE TRP 64 -15.459 -2.808 9.040 458 HE3 TRP 64 3HE TRP 64 -13.115 -7.014 6.789 459 HZ2 TRP 64 2HZ TRP 64 -17.020 -3.940 7.015 460 HZ3 TRP 64 3HZ TRP 64 -15.045 -7.294 5.279 461 HH2 TRP 64 HH TRP 64 -16.955 -5.773 5.399 462 H LYS 65 H LYS 65 -12.244 -4.110 6.657 463 HA LYS 65 HA LYS 65 -11.618 -5.923 4.643 464 1HB LYS 65 2HB LYS 65 -12.765 -4.211 3.115 465 2HB LYS 65 1HB LYS 65 -13.713 -4.872 4.435 466 1HG LYS 65 2HG LYS 65 -12.796 -2.707 5.654 467 2HG LYS 65 1HG LYS 65 -12.712 -2.139 3.990 468 1HD LYS 65 2HD LYS 65 -15.103 -2.964 5.589 469 2HD LYS 65 1HD LYS 65 -14.854 -1.503 4.639 470 1HE LYS 65 2HE LYS 65 -14.686 -3.416 2.717 471 2HE LYS 65 1HE LYS 65 -15.848 -4.145 3.824 472 1HZ LYS 65 1HZ LYS 65 -16.556 -2.467 1.919 473 2HZ LYS 65 2HZ LYS 65 -16.257 -1.340 3.145 474 3HZ LYS 65 3HZ LYS 65 -17.391 -2.572 3.388 475 H ARG 66 H ARG 66 -10.424 -2.681 5.308 476 HA ARG 66 HA ARG 66 -8.841 -2.373 3.015 477 1HB ARG 66 2HB ARG 66 -9.046 -1.147 5.694 478 2HB ARG 66 1HB ARG 66 -7.491 -0.989 4.907 479 1HG ARG 66 2HG ARG 66 -8.941 -0.194 2.875 480 2HG ARG 66 1HG ARG 66 -10.135 0.137 4.130 481 1HD ARG 66 2HD ARG 66 -8.545 2.030 3.463 482 2HD ARG 66 1HD ARG 66 -8.767 1.709 5.183 483 HE ARG 66 HE ARG 66 -6.565 0.250 4.161 484 1HH1 ARG 66 1HH1 ARG 66 -7.526 3.471 5.104 485 2HH1 ARG 66 2HH1 ARG 66 -5.920 3.963 5.525 486 1HH2 ARG 66 1HH2 ARG 66 -4.453 0.895 4.718 487 2HH2 ARG 66 2HH2 ARG 66 -4.174 2.500 5.305 488 H ASN 67 H ASN 67 -8.243 -3.819 6.211 489 HA ASN 67 HA ASN 67 -5.513 -4.310 5.836 490 1HB ASN 67 2HB ASN 67 -7.627 -5.093 7.720 491 2HB ASN 67 1HB ASN 67 -6.332 -6.266 7.554 492 1HD2 ASN 67 1HD2 ASN 67 -6.968 -4.730 9.868 493 2HD2 ASN 67 2HD2 ASN 67 -5.599 -3.736 10.222 494 H GLU 68 H GLU 68 -8.407 -6.279 5.224 495 HA GLU 68 HA GLU 68 -7.019 -8.559 4.386 496 1HB GLU 68 2HB GLU 68 -9.800 -7.757 3.566 497 2HB GLU 68 1HB GLU 68 -9.134 -9.385 3.590 498 1HG GLU 68 2HG GLU 68 -8.813 -8.443 6.188 499 2HG GLU 68 1HG GLU 68 -10.410 -7.887 5.692 500 H LEU 69 H LEU 69 -7.824 -5.630 2.864 501 HA LEU 69 HA LEU 69 -7.397 -6.613 0.170 502 1HB LEU 69 2HB LEU 69 -8.048 -3.903 1.315 503 2HB LEU 69 1HB LEU 69 -7.708 -4.151 -0.393 504 HG LEU 69 HG LEU 69 -9.909 -5.557 1.108 505 1HD1 LEU 69 1HD1 LEU 69 -9.791 -2.892 -0.078 506 2HD1 LEU 69 2HD1 LEU 69 -10.958 -3.583 1.047 507 3HD1 LEU 69 3HD1 LEU 69 -11.118 -3.881 -0.684 508 1HD2 LEU 69 1HD2 LEU 69 -8.670 -6.200 -1.256 509 2HD2 LEU 69 2HD2 LEU 69 -10.096 -5.301 -1.782 510 3HD2 LEU 69 3HD2 LEU 69 -10.278 -6.723 -0.754 511 H LYS 70 H LYS 70 -5.903 -4.179 2.285 512 HA LYS 70 HA LYS 70 -3.760 -3.488 0.720 513 1HB LYS 70 2HB LYS 70 -3.066 -2.346 2.541 514 2HB LYS 70 1HB LYS 70 -4.645 -2.773 3.151 515 1HG LYS 70 2HG LYS 70 -3.459 -4.848 4.123 516 2HG LYS 70 1HG LYS 70 -1.984 -3.915 3.864 517 1HD LYS 70 2HD LYS 70 -4.343 -2.770 5.330 518 2HD LYS 70 1HD LYS 70 -3.122 -3.736 6.157 519 1HE LYS 70 2HE LYS 70 -1.559 -2.110 6.031 520 2HE LYS 70 1HE LYS 70 -2.094 -1.575 4.438 521 1HZ LYS 70 1HZ LYS 70 -3.028 -0.749 7.089 522 2HZ LYS 70 2HZ LYS 70 -4.144 -0.746 5.816 523 3HZ LYS 70 3HZ LYS 70 -2.736 0.185 5.708 524 H LYS 71 H LYS 71 -4.256 -6.367 2.609 525 HA LYS 71 HA LYS 71 -1.575 -7.259 2.495 526 1HB LYS 71 2HB LYS 71 -4.042 -8.197 3.615 527 2HB LYS 71 1HB LYS 71 -3.274 -9.504 2.727 528 1HG LYS 71 2HG LYS 71 -1.289 -9.325 4.045 529 2HG LYS 71 1HG LYS 71 -1.887 -7.863 4.832 530 1HD LYS 71 2HD LYS 71 -3.064 -10.633 5.058 531 2HD LYS 71 1HD LYS 71 -2.154 -9.776 6.302 532 1HE LYS 71 2HE LYS 71 -4.109 -7.976 5.731 533 2HE LYS 71 1HE LYS 71 -4.959 -9.499 5.480 534 1HZ LYS 71 1HZ LYS 71 -4.804 -10.054 7.662 535 2HZ LYS 71 2HZ LYS 71 -4.807 -8.372 7.836 536 3HZ LYS 71 3HZ LYS 71 -3.348 -9.225 7.904 537 H LYS 72 H LYS 72 -4.328 -7.519 0.456 538 HA LYS 72 HA LYS 72 -3.411 -9.543 -1.227 539 1HB LYS 72 2HB LYS 72 -5.612 -7.681 -1.190 540 2HB LYS 72 1HB LYS 72 -4.955 -7.828 -2.813 541 1HG LYS 72 2HG LYS 72 -5.915 -9.803 -3.099 542 2HG LYS 72 1HG LYS 72 -5.235 -10.419 -1.592 543 1HD LYS 72 2HD LYS 72 -7.390 -8.544 -1.106 544 2HD LYS 72 1HD LYS 72 -7.914 -9.890 -2.120 545 1HE LYS 72 2HE LYS 72 -7.133 -11.481 -0.479 546 2HE LYS 72 1HE LYS 72 -6.463 -10.182 0.507 547 1HZ LYS 72 1HZ LYS 72 -8.631 -9.378 0.977 548 2HZ LYS 72 2HZ LYS 72 -8.652 -11.043 1.269 549 3HZ LYS 72 3HZ LYS 72 -9.347 -10.424 -0.144 550 H ALA 73 H ALA 73 -2.821 -6.168 -1.015 551 HA ALA 73 HA ALA 73 -1.284 -6.120 -3.459 552 1HB ALA 73 1HB ALA 73 -1.887 -3.892 -1.530 553 2HB ALA 73 2HB ALA 73 -2.809 -4.262 -2.985 554 3HB ALA 73 3HB ALA 73 -1.135 -3.722 -3.116 555 H SER 74 H SER 74 -0.779 -6.798 -0.196 556 HA SER 74 HA SER 74 1.131 -7.286 0.952 557 1HB SER 74 2HB SER 74 2.941 -6.259 -1.185 558 2HB SER 74 1HB SER 74 3.101 -7.690 -0.167 559 HG SER 74 HG SER 74 1.420 -8.644 -1.422 560 H LEU 75 H LEU 75 -0.157 -4.541 0.543 561 HA LEU 75 HA LEU 75 2.038 -2.784 1.304 562 1HB LEU 75 2HB LEU 75 -0.882 -2.118 0.944 563 2HB LEU 75 1HB LEU 75 0.449 -0.983 1.047 564 HG LEU 75 HG LEU 75 -0.306 -2.789 -1.223 565 1HD1 LEU 75 1HD1 LEU 75 -0.452 -0.834 -2.478 566 2HD1 LEU 75 2HD1 LEU 75 0.513 0.091 -1.324 567 3HD1 LEU 75 3HD1 LEU 75 -1.136 -0.384 -0.914 568 1HD2 LEU 75 1HD2 LEU 75 1.903 -3.273 -1.337 569 2HD2 LEU 75 2HD2 LEU 75 2.391 -1.810 -0.482 570 3HD2 LEU 75 3HD2 LEU 75 1.924 -1.725 -2.181 571 H PHE 76 H PHE 76 0.538 -4.991 2.951 572 HA PHE 76 HA PHE 76 -0.553 -3.563 5.159 573 1HB PHE 76 2HB PHE 76 -1.141 -5.944 4.353 574 2HB PHE 76 1HB PHE 76 0.306 -6.442 5.223 575 HD1 PHE 76 1HD PHE 76 0.372 -5.257 7.704 576 HD2 PHE 76 2HD PHE 76 -3.096 -6.303 5.468 577 HE1 PHE 76 1HE PHE 76 -0.931 -5.385 9.788 578 HE2 PHE 76 2HE PHE 76 -4.400 -6.433 7.546 579 HZ PHE 76 HZ PHE 76 -3.323 -5.972 9.708 Start of MODEL 11 1 HA PRO 9 HA PRO 9 4.055 15.972 5.764 2 1HB PRO 9 2HB PRO 9 1.509 15.180 6.690 3 2HB PRO 9 1HB PRO 9 2.485 16.533 7.272 4 1HG PRO 9 2HG PRO 9 0.272 16.512 5.285 5 2HG PRO 9 1HG PRO 9 0.727 17.767 6.452 6 1HD PRO 9 2HD PRO 9 1.270 18.065 3.859 7 2HD PRO 9 1HD PRO 9 2.437 18.587 5.090 8 H GLY 10 H GLY 10 1.241 14.660 4.002 9 1HA GLY 10 2HA GLY 10 1.589 11.972 4.604 10 2HA GLY 10 1HA GLY 10 0.848 12.572 3.129 11 H LEU 11 H LEU 11 2.339 10.215 3.215 12 HA LEU 11 HA LEU 11 5.011 10.670 2.367 13 1HB LEU 11 2HB LEU 11 3.614 8.137 1.686 14 2HB LEU 11 1HB LEU 11 5.243 8.389 2.282 15 HG LEU 11 HG LEU 11 3.520 9.194 4.368 16 1HD1 LEU 11 1HD1 LEU 11 2.053 7.533 2.778 17 2HD1 LEU 11 2HD1 LEU 11 1.803 7.775 4.507 18 3HD1 LEU 11 3HD1 LEU 11 2.760 6.408 3.936 19 1HD2 LEU 11 1HD2 LEU 11 5.754 7.537 3.951 20 2HD2 LEU 11 2HD2 LEU 11 4.551 6.560 4.787 21 3HD2 LEU 11 3HD2 LEU 11 5.083 8.090 5.483 22 H GLN 12 H GLN 12 5.885 10.443 0.264 23 HA GLN 12 HA GLN 12 4.223 11.447 -1.788 24 1HB GLN 12 2HB GLN 12 6.286 12.279 -2.154 25 2HB GLN 12 1HB GLN 12 7.074 10.935 -1.346 26 1HG GLN 12 2HG GLN 12 7.859 10.638 -3.438 27 2HG GLN 12 1HG GLN 12 6.401 9.662 -3.546 28 1HE2 GLN 12 1HE2 GLN 12 5.008 10.106 -5.132 29 2HE2 GLN 12 2HE2 GLN 12 5.021 11.530 -6.108 30 H ILE 13 H ILE 13 3.465 10.464 -3.618 31 HA ILE 13 HA ILE 13 2.835 7.707 -3.464 32 HB ILE 13 HB ILE 13 2.596 9.521 -5.854 33 1HG1 ILE 13 2HG1 ILE 13 1.579 10.389 -3.681 34 2HG1 ILE 13 1HG1 ILE 13 0.493 10.241 -5.053 35 1HG2 ILE 13 1HG2 ILE 13 2.288 6.993 -6.087 36 2HG2 ILE 13 2HG2 ILE 13 1.010 8.041 -6.692 37 3HG2 ILE 13 3HG2 ILE 13 0.816 7.216 -5.148 38 1HD1 ILE 13 1HD1 ILE 13 0.299 7.798 -3.755 39 2HD1 ILE 13 2HD1 ILE 13 -0.868 9.122 -3.711 40 3HD1 ILE 13 3HD1 ILE 13 0.368 8.995 -2.459 41 H TYR 14 H TYR 14 3.746 5.960 -4.356 42 HA TYR 14 HA TYR 14 6.028 6.350 -6.180 43 1HB TYR 14 2HB TYR 14 5.659 4.110 -4.179 44 2HB TYR 14 1HB TYR 14 7.045 4.347 -5.235 45 HD1 TYR 14 1HD TYR 14 7.215 7.393 -4.841 46 HD2 TYR 14 2HD TYR 14 6.828 4.152 -2.117 47 HE1 TYR 14 1HE TYR 14 8.317 8.734 -3.098 48 HE2 TYR 14 2HE TYR 14 7.923 5.481 -0.366 49 HH TYR 14 HH TYR 14 9.742 7.998 -0.834 50 HA PRO 15 HA PRO 15 3.879 3.735 -9.006 51 1HB PRO 15 2HB PRO 15 5.884 2.676 -10.449 52 2HB PRO 15 1HB PRO 15 5.494 4.400 -10.513 53 1HG PRO 15 2HG PRO 15 7.655 3.002 -8.984 54 2HG PRO 15 1HG PRO 15 7.738 4.512 -9.910 55 1HD PRO 15 2HD PRO 15 7.477 4.419 -7.190 56 2HD PRO 15 1HD PRO 15 6.884 5.759 -8.188 57 H TYR 16 H TYR 16 3.880 2.461 -6.586 58 HA TYR 16 HA TYR 16 3.682 0.431 -5.586 59 1HB TYR 16 2HB TYR 16 2.156 0.064 -7.460 60 2HB TYR 16 1HB TYR 16 3.496 -0.511 -8.444 61 HD1 TYR 16 1HD TYR 16 1.925 -1.259 -5.126 62 HD2 TYR 16 2HD TYR 16 3.726 -2.802 -8.661 63 HE1 TYR 16 1HE TYR 16 1.501 -3.549 -4.336 64 HE2 TYR 16 2HE TYR 16 3.304 -5.093 -7.879 65 HH TYR 16 HH TYR 16 2.247 -5.781 -4.671 66 H GLU 17 H GLU 17 5.446 -0.556 -8.432 67 HA GLU 17 HA GLU 17 7.014 -2.506 -7.370 68 1HB GLU 17 2HB GLU 17 8.700 -1.858 -9.194 69 2HB GLU 17 1HB GLU 17 7.075 -2.297 -9.702 70 1HG GLU 17 2HG GLU 17 6.550 -0.176 -10.349 71 2HG GLU 17 1HG GLU 17 7.658 0.570 -9.199 72 H MET 18 H MET 18 7.407 0.922 -7.046 73 HA MET 18 HA MET 18 10.093 1.010 -6.254 74 1HB MET 18 2HB MET 18 7.788 2.800 -6.186 75 2HB MET 18 1HB MET 18 8.876 3.043 -4.828 76 1HG MET 18 2HG MET 18 10.646 2.929 -6.859 77 2HG MET 18 1HG MET 18 9.250 3.617 -7.684 78 1HE MET 18 1HE MET 18 9.541 5.986 -8.158 79 2HE MET 18 2HE MET 18 11.265 5.639 -8.037 80 3HE MET 18 3HE MET 18 10.598 7.073 -7.257 81 H LEU 19 H LEU 19 7.164 0.200 -4.597 82 HA LEU 19 HA LEU 19 8.514 -0.004 -2.007 83 1HB LEU 19 2HB LEU 19 5.618 -0.436 -2.724 84 2HB LEU 19 1HB LEU 19 6.281 -0.312 -1.103 85 HG LEU 19 HG LEU 19 6.791 2.016 -2.831 86 1HD1 LEU 19 1HD1 LEU 19 4.709 2.584 -3.366 87 2HD1 LEU 19 2HD1 LEU 19 4.112 2.196 -1.754 88 3HD1 LEU 19 3HD1 LEU 19 4.244 0.930 -2.971 89 1HD2 LEU 19 1HD2 LEU 19 7.275 2.736 -0.784 90 2HD2 LEU 19 2HD2 LEU 19 6.497 1.345 -0.035 91 3HD2 LEU 19 3HD2 LEU 19 5.541 2.763 -0.463 92 H VAL 20 H VAL 20 6.918 -1.869 -4.490 93 HA VAL 20 HA VAL 20 6.951 -4.361 -3.086 94 HB VAL 20 HB VAL 20 6.611 -3.945 -6.046 95 1HG1 VAL 20 1HG1 VAL 20 6.714 -6.200 -5.799 96 2HG1 VAL 20 2HG1 VAL 20 4.999 -5.961 -5.473 97 3HG1 VAL 20 3HG1 VAL 20 6.133 -6.167 -4.137 98 1HG2 VAL 20 1HG2 VAL 20 5.086 -2.712 -4.138 99 2HG2 VAL 20 2HG2 VAL 20 4.193 -4.204 -4.423 100 3HG2 VAL 20 3HG2 VAL 20 4.553 -3.121 -5.762 101 H VAL 21 H VAL 21 9.453 -3.702 -2.754 102 HA VAL 21 HA VAL 21 11.136 -4.607 -4.895 103 HB VAL 21 HB VAL 21 11.985 -3.973 -2.075 104 1HG1 VAL 21 1HG1 VAL 21 13.408 -5.054 -4.154 105 2HG1 VAL 21 2HG1 VAL 21 14.096 -4.184 -2.783 106 3HG1 VAL 21 3HG1 VAL 21 13.771 -3.334 -4.293 107 1HG2 VAL 21 1HG2 VAL 21 10.699 -2.198 -3.697 108 2HG2 VAL 21 2HG2 VAL 21 12.387 -1.903 -4.106 109 3HG2 VAL 21 3HG2 VAL 21 11.848 -1.764 -2.433 110 H THR 22 H THR 22 11.461 -6.700 -5.260 111 HA THR 22 HA THR 22 10.958 -8.646 -3.214 112 HB THR 22 HB THR 22 11.940 -9.919 -5.504 113 HG1 THR 22 1HG THR 22 10.087 -7.895 -6.188 114 1HG2 THR 22 1HG2 THR 22 10.090 -10.726 -4.124 115 2HG2 THR 22 2HG2 THR 22 9.675 -10.675 -5.837 116 3HG2 THR 22 3HG2 THR 22 9.076 -9.424 -4.747 117 H ASN 23 H ASN 23 13.457 -6.817 -3.336 118 HA ASN 23 HA ASN 23 15.713 -8.361 -3.827 119 1HB ASN 23 2HB ASN 23 15.114 -5.833 -2.529 120 2HB ASN 23 1HB ASN 23 16.429 -6.682 -1.722 121 1HD2 ASN 23 1HD2 ASN 23 15.453 -6.459 -5.123 122 2HD2 ASN 23 2HD2 ASN 23 16.971 -5.866 -5.696 123 H LYS 24 H LYS 24 15.453 -10.447 -3.021 124 HA LYS 24 HA LYS 24 14.641 -11.210 -0.503 125 1HB LYS 24 2HB LYS 24 16.413 -12.428 -2.566 126 2HB LYS 24 1HB LYS 24 16.380 -13.162 -0.968 127 1HG LYS 24 2HG LYS 24 14.647 -14.332 -1.735 128 2HG LYS 24 1HG LYS 24 13.719 -12.848 -1.513 129 1HD LYS 24 2HD LYS 24 14.065 -12.225 -3.812 130 2HD LYS 24 1HD LYS 24 15.162 -13.585 -4.057 131 1HE LYS 24 2HE LYS 24 12.295 -13.944 -3.226 132 2HE LYS 24 1HE LYS 24 12.788 -13.861 -4.917 133 1HZ LYS 24 1HZ LYS 24 12.667 -16.138 -4.256 134 2HZ LYS 24 2HZ LYS 24 13.654 -15.869 -2.910 135 3HZ LYS 24 3HZ LYS 24 14.299 -15.745 -4.470 136 H GLY 25 H GLY 25 15.371 -10.426 1.368 137 1HA GLY 25 2HA GLY 25 17.456 -10.967 2.809 138 2HA GLY 25 1HA GLY 25 18.248 -9.900 1.660 139 H ARG 26 H ARG 26 15.043 -9.631 3.157 140 HA ARG 26 HA ARG 26 14.034 -7.847 4.166 141 1HB ARG 26 2HB ARG 26 16.553 -8.386 5.670 142 2HB ARG 26 1HB ARG 26 15.563 -7.012 6.143 143 1HG ARG 26 2HG ARG 26 14.396 -8.426 7.394 144 2HG ARG 26 1HG ARG 26 13.752 -9.089 5.891 145 1HD ARG 26 2HD ARG 26 15.097 -10.924 5.960 146 2HD ARG 26 1HD ARG 26 16.399 -10.074 6.789 147 HE ARG 26 HE ARG 26 14.209 -11.503 7.995 148 1HH1 ARG 26 1HH1 ARG 26 16.637 -9.039 8.463 149 2HH1 ARG 26 2HH1 ARG 26 16.646 -9.200 10.186 150 1HH2 ARG 26 1HH2 ARG 26 14.220 -11.715 10.262 151 2HH2 ARG 26 2HH2 ARG 26 15.276 -10.719 11.208 152 H THR 27 H THR 27 14.482 -6.688 2.025 153 HA THR 27 HA THR 27 16.517 -4.745 1.896 154 HB THR 27 HB THR 27 15.776 -5.134 -0.207 155 HG1 THR 27 1HG THR 27 15.570 -2.925 0.037 156 1HG2 THR 27 1HG2 THR 27 13.969 -6.598 0.088 157 2HG2 THR 27 2HG2 THR 27 13.324 -5.240 -0.832 158 3HG2 THR 27 3HG2 THR 27 13.000 -5.367 0.897 159 H LYS 28 H LYS 28 16.178 -2.432 1.754 160 HA LYS 28 HA LYS 28 14.589 -1.518 4.021 161 1HB LYS 28 2HB LYS 28 15.854 0.563 3.823 162 2HB LYS 28 1HB LYS 28 16.934 -0.822 3.883 163 1HG LYS 28 2HG LYS 28 17.777 -0.399 1.861 164 2HG LYS 28 1HG LYS 28 16.190 -0.051 1.171 165 1HD LYS 28 2HD LYS 28 17.120 1.987 3.049 166 2HD LYS 28 1HD LYS 28 18.169 1.792 1.643 167 1HE LYS 28 2HE LYS 28 16.348 2.194 0.145 168 2HE LYS 28 1HE LYS 28 15.184 2.154 1.468 169 1HZ LYS 28 1HZ LYS 28 17.312 4.111 1.720 170 2HZ LYS 28 2HZ LYS 28 15.663 4.254 2.068 171 3HZ LYS 28 3HZ LYS 28 16.206 4.398 0.472 172 H LEU 29 H LEU 29 12.944 -0.040 3.905 173 HA LEU 29 HA LEU 29 11.602 0.173 1.393 174 1HB LEU 29 2HB LEU 29 10.987 0.888 4.214 175 2HB LEU 29 1HB LEU 29 10.074 1.685 2.943 176 HG LEU 29 HG LEU 29 10.206 -1.282 3.484 177 1HD1 LEU 29 1HD1 LEU 29 8.354 0.886 4.173 178 2HD1 LEU 29 2HD1 LEU 29 8.599 -0.687 4.933 179 3HD1 LEU 29 3HD1 LEU 29 7.592 -0.552 3.492 180 1HD2 LEU 29 1HD2 LEU 29 8.428 -1.331 1.661 181 2HD2 LEU 29 2HD2 LEU 29 10.101 -1.121 1.142 182 3HD2 LEU 29 3HD2 LEU 29 9.015 0.268 1.202 183 HA PRO 30 HA PRO 30 12.808 4.130 -0.108 184 1HB PRO 30 2HB PRO 30 9.951 4.970 0.044 185 2HB PRO 30 1HB PRO 30 11.069 5.022 -1.325 186 1HG PRO 30 2HG PRO 30 9.167 3.168 -1.207 187 2HG PRO 30 1HG PRO 30 10.785 2.770 -1.814 188 1HD PRO 30 2HD PRO 30 9.544 2.147 0.831 189 2HD PRO 30 1HD PRO 30 10.647 1.168 -0.158 190 HA PRO 31 HA PRO 31 13.345 6.845 3.330 191 1HB PRO 31 2HB PRO 31 13.033 9.083 1.399 192 2HB PRO 31 1HB PRO 31 14.361 8.733 2.511 193 1HG PRO 31 2HG PRO 31 14.618 8.293 -0.107 194 2HG PRO 31 1HG PRO 31 15.326 7.185 1.082 195 1HD PRO 31 2HD PRO 31 12.859 6.869 -0.574 196 2HD PRO 31 1HD PRO 31 14.062 5.654 -0.096 197 H GLY 32 H GLY 32 11.448 6.586 4.484 198 1HA GLY 32 2HA GLY 32 9.699 7.725 5.579 199 2HA GLY 32 1HA GLY 32 9.534 8.772 4.178 200 H VAL 33 H VAL 33 9.094 5.374 5.128 201 HA VAL 33 HA VAL 33 6.704 5.315 3.502 202 HB VAL 33 HB VAL 33 8.740 3.187 3.824 203 1HG1 VAL 33 1HG1 VAL 33 5.937 2.953 2.783 204 2HG1 VAL 33 2HG1 VAL 33 6.681 2.028 4.088 205 3HG1 VAL 33 3HG1 VAL 33 7.200 1.777 2.421 206 1HG2 VAL 33 1HG2 VAL 33 8.173 5.139 1.878 207 2HG2 VAL 33 2HG2 VAL 33 7.878 3.553 1.165 208 3HG2 VAL 33 3HG2 VAL 33 9.453 3.929 1.868 209 H ASP 34 H ASP 34 5.000 4.053 4.157 210 HA ASP 34 HA ASP 34 4.923 3.664 7.054 211 1HB ASP 34 2HB ASP 34 3.332 5.141 5.375 212 2HB ASP 34 1HB ASP 34 2.382 3.668 5.591 213 H ARG 35 H ARG 35 5.494 1.557 7.371 214 HA ARG 35 HA ARG 35 5.009 -0.622 5.747 215 1HB ARG 35 2HB ARG 35 5.484 -0.282 8.671 216 2HB ARG 35 1HB ARG 35 4.959 -1.859 8.096 217 1HG ARG 35 2HG ARG 35 7.117 -0.769 6.492 218 2HG ARG 35 1HG ARG 35 7.553 -0.922 8.195 219 1HD ARG 35 2HD ARG 35 7.945 -3.077 7.811 220 2HD ARG 35 1HD ARG 35 6.209 -3.286 7.584 221 HE ARG 35 HE ARG 35 7.571 -2.395 5.219 222 1HH1 ARG 35 1HH1 ARG 35 6.682 -5.187 7.115 223 2HH1 ARG 35 2HH1 ARG 35 6.765 -6.279 5.775 224 1HH2 ARG 35 1HH2 ARG 35 7.680 -3.830 3.455 225 2HH2 ARG 35 2HH2 ARG 35 7.332 -5.510 3.696 226 H MET 36 H MET 36 2.956 0.694 8.320 227 HA MET 36 HA MET 36 0.882 -1.225 7.739 228 1HB MET 36 2HB MET 36 1.400 0.746 9.898 229 2HB MET 36 1HB MET 36 -0.271 0.297 9.590 230 1HG MET 36 2HG MET 36 0.736 -1.053 11.357 231 2HG MET 36 1HG MET 36 0.248 -2.032 9.974 232 1HE MET 36 1HE MET 36 2.630 -3.376 8.300 233 2HE MET 36 2HE MET 36 1.253 -3.703 9.351 234 3HE MET 36 3HE MET 36 2.858 -4.281 9.797 235 H ARG 37 H ARG 37 1.790 1.389 6.159 236 HA ARG 37 HA ARG 37 -0.891 1.953 5.211 237 1HB ARG 37 2HB ARG 37 0.454 3.719 7.020 238 2HB ARG 37 1HB ARG 37 0.337 4.507 5.454 239 1HG ARG 37 2HG ARG 37 -1.658 5.162 6.251 240 2HG ARG 37 1HG ARG 37 -2.168 3.573 5.675 241 1HD ARG 37 2HD ARG 37 -1.362 2.840 8.083 242 2HD ARG 37 1HD ARG 37 -1.691 4.534 8.450 243 HE ARG 37 HE ARG 37 -3.616 2.468 7.915 244 1HH1 ARG 37 1HH1 ARG 37 -3.027 5.907 7.872 245 2HH1 ARG 37 2HH1 ARG 37 -4.704 6.322 8.000 246 1HH2 ARG 37 1HH2 ARG 37 -5.821 3.011 8.083 247 2HH2 ARG 37 2HH2 ARG 37 -6.290 4.678 8.120 248 H LEU 38 H LEU 38 0.758 0.566 3.773 249 HA LEU 38 HA LEU 38 2.539 2.126 2.175 250 1HB LEU 38 2HB LEU 38 1.831 -0.659 2.538 251 2HB LEU 38 1HB LEU 38 2.006 -0.268 0.846 252 HG LEU 38 HG LEU 38 4.128 -0.987 1.369 253 1HD1 LEU 38 1HD1 LEU 38 4.196 1.952 1.996 254 2HD1 LEU 38 2HD1 LEU 38 4.356 1.208 0.406 255 3HD1 LEU 38 3HD1 LEU 38 5.607 0.965 1.624 256 1HD2 LEU 38 1HD2 LEU 38 3.324 -0.351 4.044 257 2HD2 LEU 38 2HD2 LEU 38 4.946 0.271 3.741 258 3HD2 LEU 38 3HD2 LEU 38 4.595 -1.438 3.487 259 H GLU 39 H GLU 39 -0.721 1.072 1.986 260 HA GLU 39 HA GLU 39 -1.257 1.304 -0.739 261 1HB GLU 39 2HB GLU 39 -3.592 1.613 -0.118 262 2HB GLU 39 1HB GLU 39 -2.850 0.369 0.881 263 1HG GLU 39 2HG GLU 39 -4.091 1.586 2.394 264 2HG GLU 39 1HG GLU 39 -2.476 2.262 2.580 265 H ARG 40 H ARG 40 -0.742 3.772 1.661 266 HA ARG 40 HA ARG 40 -1.914 5.885 0.211 267 1HB ARG 40 2HB ARG 40 -1.835 6.265 2.493 268 2HB ARG 40 1HB ARG 40 -0.212 5.613 2.643 269 1HG ARG 40 2HG ARG 40 0.156 7.826 2.981 270 2HG ARG 40 1HG ARG 40 0.447 7.701 1.251 271 1HD ARG 40 2HD ARG 40 -2.322 8.280 2.131 272 2HD ARG 40 1HD ARG 40 -1.133 9.568 2.314 273 HE ARG 40 HE ARG 40 -1.133 8.361 -0.293 274 1HH1 ARG 40 1HH1 ARG 40 -2.591 10.803 1.728 275 2HH1 ARG 40 2HH1 ARG 40 -3.102 11.782 0.395 276 1HH2 ARG 40 1HH2 ARG 40 -1.807 9.646 -2.049 277 2HH2 ARG 40 2HH2 ARG 40 -2.658 11.124 -1.750 278 H HIS 41 H HIS 41 0.974 4.183 -0.070 279 HA HIS 41 HA HIS 41 2.485 6.327 -1.314 280 1HB HIS 41 2HB HIS 41 3.036 3.428 -0.735 281 2HB HIS 41 1HB HIS 41 4.077 4.340 -1.821 282 HD1 HIS 41 1HD HIS 41 5.421 6.337 -0.740 283 HD2 HIS 41 2HD HIS 41 3.447 3.862 1.938 284 HE1 HIS 41 1HE HIS 41 6.427 6.833 1.510 285 HE2 HIS 41 2HE HIS 41 4.985 5.555 3.125 286 H LEU 42 H LEU 42 0.599 3.521 -2.205 287 HA LEU 42 HA LEU 42 1.318 3.186 -4.842 288 1HB LEU 42 2HB LEU 42 -0.978 2.601 -3.122 289 2HB LEU 42 1HB LEU 42 -1.352 2.690 -4.823 290 HG LEU 42 HG LEU 42 0.415 0.747 -3.395 291 1HD1 LEU 42 1HD1 LEU 42 -1.969 0.663 -5.206 292 2HD1 LEU 42 2HD1 LEU 42 -1.810 0.056 -3.552 293 3HD1 LEU 42 3HD1 LEU 42 -0.988 -0.772 -4.872 294 1HD2 LEU 42 1HD2 LEU 42 0.714 1.767 -6.144 295 2HD2 LEU 42 2HD2 LEU 42 0.674 0.013 -5.986 296 3HD2 LEU 42 3HD2 LEU 42 1.879 0.951 -5.105 297 H SER 43 H SER 43 0.779 4.124 -6.731 298 HA SER 43 HA SER 43 -0.350 6.750 -6.655 299 1HB SER 43 2HB SER 43 1.158 5.194 -8.518 300 2HB SER 43 1HB SER 43 -0.278 5.855 -9.299 301 HG SER 43 HG SER 43 1.221 7.424 -9.492 302 H ALA 44 H ALA 44 -2.230 7.356 -7.835 303 HA ALA 44 HA ALA 44 -4.456 5.800 -7.219 304 1HB ALA 44 1HB ALA 44 -4.289 7.878 -9.398 305 2HB ALA 44 2HB ALA 44 -4.517 8.241 -7.685 306 3HB ALA 44 3HB ALA 44 -5.750 7.339 -8.569 307 H GLU 45 H GLU 45 -2.454 5.885 -10.051 308 HA GLU 45 HA GLU 45 -4.125 4.341 -11.700 309 1HB GLU 45 2HB GLU 45 -1.136 4.715 -11.883 310 2HB GLU 45 1HB GLU 45 -2.200 4.167 -13.171 311 1HG GLU 45 2HG GLU 45 -2.554 6.849 -11.886 312 2HG GLU 45 1HG GLU 45 -1.411 6.597 -13.203 313 H ASP 46 H ASP 46 -2.003 3.661 -9.093 314 HA ASP 46 HA ASP 46 -1.698 0.926 -9.878 315 1HB ASP 46 2HB ASP 46 -0.591 2.454 -7.536 316 2HB ASP 46 1HB ASP 46 -0.381 0.712 -7.733 317 H PHE 47 H PHE 47 -3.004 2.701 -7.034 318 HA PHE 47 HA PHE 47 -3.995 0.495 -5.713 319 1HB PHE 47 2HB PHE 47 -4.080 2.739 -4.730 320 2HB PHE 47 1HB PHE 47 -5.329 3.194 -5.891 321 HD1 PHE 47 1HD PHE 47 -7.559 2.177 -5.773 322 HD2 PHE 47 2HD PHE 47 -4.588 1.412 -2.829 323 HE1 PHE 47 1HE PHE 47 -9.284 1.277 -4.277 324 HE2 PHE 47 2HE PHE 47 -6.303 0.499 -1.330 325 HZ PHE 47 HZ PHE 47 -8.662 0.432 -2.055 326 H SER 48 H SER 48 -5.450 2.361 -8.219 327 HA SER 48 HA SER 48 -7.922 1.161 -8.405 328 1HB SER 48 2HB SER 48 -8.005 1.952 -10.722 329 2HB SER 48 1HB SER 48 -7.323 3.185 -9.661 330 HG SER 48 HG SER 48 -6.211 2.617 -11.759 331 H ARG 49 H ARG 49 -4.891 0.143 -9.741 332 HA ARG 49 HA ARG 49 -6.098 -2.162 -10.951 333 1HB ARG 49 2HB ARG 49 -3.457 -0.834 -11.190 334 2HB ARG 49 1HB ARG 49 -3.584 -2.534 -11.622 335 1HG ARG 49 2HG ARG 49 -4.810 -2.115 -13.481 336 2HG ARG 49 1HG ARG 49 -5.599 -0.702 -12.779 337 1HD ARG 49 2HD ARG 49 -4.248 0.373 -14.249 338 2HD ARG 49 1HD ARG 49 -3.112 0.244 -12.906 339 HE ARG 49 HE ARG 49 -1.835 -1.142 -14.188 340 1HH1 ARG 49 1HH1 ARG 49 -5.059 -1.072 -15.522 341 2HH1 ARG 49 2HH1 ARG 49 -4.639 -2.014 -16.913 342 1HH2 ARG 49 1HH2 ARG 49 -1.280 -2.381 -16.016 343 2HH2 ARG 49 2HH2 ARG 49 -2.493 -2.757 -17.194 344 H VAL 50 H VAL 50 -4.430 -1.317 -8.159 345 HA VAL 50 HA VAL 50 -3.260 -3.844 -7.585 346 HB VAL 50 HB VAL 50 -3.720 -1.426 -5.840 347 1HG1 VAL 50 1HG1 VAL 50 -2.136 -3.909 -5.270 348 2HG1 VAL 50 2HG1 VAL 50 -3.612 -3.410 -4.451 349 3HG1 VAL 50 3HG1 VAL 50 -2.136 -2.458 -4.276 350 1HG2 VAL 50 1HG2 VAL 50 -1.853 -1.943 -7.854 351 2HG2 VAL 50 2HG2 VAL 50 -0.979 -2.079 -6.341 352 3HG2 VAL 50 3HG2 VAL 50 -1.862 -0.602 -6.725 353 H PHE 51 H PHE 51 -6.072 -2.065 -6.346 354 HA PHE 51 HA PHE 51 -6.994 -4.581 -5.153 355 1HB PHE 51 2HB PHE 51 -7.662 -1.806 -4.176 356 2HB PHE 51 1HB PHE 51 -7.978 -3.336 -3.362 357 HD1 PHE 51 1HD PHE 51 -6.162 -4.596 -2.337 358 HD2 PHE 51 2HD PHE 51 -5.471 -0.795 -4.128 359 HE1 PHE 51 1HE PHE 51 -3.991 -4.455 -1.198 360 HE2 PHE 51 2HE PHE 51 -3.310 -0.636 -2.960 361 HZ PHE 51 HZ PHE 51 -2.556 -2.476 -1.505 362 H ALA 52 H ALA 52 -7.530 -2.906 -7.788 363 HA ALA 52 HA ALA 52 -9.272 -2.511 -9.188 364 1HB ALA 52 1HB ALA 52 -9.383 -5.036 -8.312 365 2HB ALA 52 2HB ALA 52 -10.477 -4.375 -9.533 366 3HB ALA 52 3HB ALA 52 -10.993 -4.481 -7.847 367 H MET 53 H MET 53 -9.157 -0.834 -6.924 368 HA MET 53 HA MET 53 -11.944 -0.045 -6.761 369 1HB MET 53 2HB MET 53 -10.238 -0.877 -4.501 370 2HB MET 53 1HB MET 53 -11.120 0.623 -4.259 371 1HG MET 53 2HG MET 53 -12.762 -0.680 -3.539 372 2HG MET 53 1HG MET 53 -13.064 -0.999 -5.246 373 1HE MET 53 1HE MET 53 -9.851 -2.343 -3.290 374 2HE MET 53 2HE MET 53 -10.571 -3.753 -2.510 375 3HE MET 53 3HE MET 53 -11.123 -2.133 -2.085 376 H SER 54 H SER 54 -12.075 2.242 -5.761 377 HA SER 54 HA SER 54 -10.157 3.871 -7.143 378 1HB SER 54 2HB SER 54 -11.559 5.762 -6.223 379 2HB SER 54 1HB SER 54 -12.438 4.615 -7.234 380 HG SER 54 HG SER 54 -13.644 4.973 -5.400 381 HA PRO 55 HA PRO 55 -7.131 4.231 -3.933 382 1HB PRO 55 2HB PRO 55 -6.928 7.064 -4.346 383 2HB PRO 55 1HB PRO 55 -5.816 5.809 -4.897 384 1HG PRO 55 2HG PRO 55 -8.025 7.142 -6.357 385 2HG PRO 55 1HG PRO 55 -6.540 6.413 -6.988 386 1HD PRO 55 2HD PRO 55 -8.910 5.246 -7.320 387 2HD PRO 55 1HD PRO 55 -7.457 4.276 -6.981 388 H GLU 56 H GLU 56 -9.744 6.477 -4.285 389 HA GLU 56 HA GLU 56 -9.778 7.503 -1.685 390 1HB GLU 56 2HB GLU 56 -12.141 8.144 -2.419 391 2HB GLU 56 1HB GLU 56 -10.801 8.853 -3.292 392 1HG GLU 56 2HG GLU 56 -11.145 7.363 -5.123 393 2HG GLU 56 1HG GLU 56 -12.329 6.431 -4.206 394 H GLU 57 H GLU 57 -11.569 4.942 -3.333 395 HA GLU 57 HA GLU 57 -13.458 4.292 -1.528 396 1HB GLU 57 2HB GLU 57 -11.930 2.831 -3.545 397 2HB GLU 57 1HB GLU 57 -12.596 1.825 -2.284 398 1HG GLU 57 2HG GLU 57 -14.361 3.804 -3.618 399 2HG GLU 57 1HG GLU 57 -13.938 2.319 -4.469 400 H PHE 58 H PHE 58 -10.131 3.502 -1.515 401 HA PHE 58 HA PHE 58 -10.081 1.948 0.835 402 1HB PHE 58 2HB PHE 58 -8.229 2.626 -1.119 403 2HB PHE 58 1HB PHE 58 -7.608 3.403 0.332 404 HD1 PHE 58 1HD PHE 58 -9.376 0.183 -0.217 405 HD2 PHE 58 2HD PHE 58 -5.873 2.134 1.166 406 HE1 PHE 58 1HE PHE 58 -8.486 -1.972 0.548 407 HE2 PHE 58 2HE PHE 58 -4.970 -0.016 1.931 408 HZ PHE 58 HZ PHE 58 -6.281 -2.060 1.617 409 H GLY 59 H GLY 59 -9.435 5.373 0.145 410 1HA GLY 59 2HA GLY 59 -8.709 6.140 2.746 411 2HA GLY 59 1HA GLY 59 -9.418 7.202 1.538 412 H LYS 60 H LYS 60 -11.780 5.191 1.539 413 HA LYS 60 HA LYS 60 -13.123 6.421 3.766 414 1HB LYS 60 2HB LYS 60 -13.854 6.050 1.056 415 2HB LYS 60 1HB LYS 60 -14.987 5.147 2.051 416 1HG LYS 60 2HG LYS 60 -16.019 6.997 2.715 417 2HG LYS 60 1HG LYS 60 -14.495 7.791 3.120 418 1HD LYS 60 2HD LYS 60 -15.547 7.537 0.308 419 2HD LYS 60 1HD LYS 60 -15.856 8.932 1.343 420 1HE LYS 60 2HE LYS 60 -13.278 8.989 1.610 421 2HE LYS 60 1HE LYS 60 -13.274 7.985 0.159 422 1HZ LYS 60 1HZ LYS 60 -13.945 9.690 -1.131 423 2HZ LYS 60 2HZ LYS 60 -13.242 10.629 0.087 424 3HZ LYS 60 3HZ LYS 60 -14.916 10.386 0.067 425 H LEU 61 H LEU 61 -12.274 3.376 2.443 426 HA LEU 61 HA LEU 61 -14.046 1.665 3.698 427 1HB LEU 61 2HB LEU 61 -11.194 1.376 2.851 428 2HB LEU 61 1HB LEU 61 -12.005 0.067 3.672 429 HG LEU 61 HG LEU 61 -13.104 1.302 1.161 430 1HD1 LEU 61 1HD1 LEU 61 -11.666 -1.285 1.089 431 2HD1 LEU 61 2HD1 LEU 61 -10.705 0.186 1.136 432 3HD1 LEU 61 3HD1 LEU 61 -11.866 -0.065 -0.167 433 1HD2 LEU 61 1HD2 LEU 61 -13.635 -1.229 2.689 434 2HD2 LEU 61 2HD2 LEU 61 -14.170 -0.985 1.027 435 3HD2 LEU 61 3HD2 LEU 61 -14.760 0.073 2.308 436 H ALA 62 H ALA 62 -12.778 -0.075 5.313 437 HA ALA 62 HA ALA 62 -12.405 1.485 7.763 438 1HB ALA 62 1HB ALA 62 -12.800 -1.500 7.584 439 2HB ALA 62 2HB ALA 62 -14.151 -0.359 7.576 440 3HB ALA 62 3HB ALA 62 -13.068 -0.432 8.966 441 H LEU 63 H LEU 63 -11.016 -0.242 9.330 442 HA LEU 63 HA LEU 63 -8.379 -0.124 8.119 443 1HB LEU 63 2HB LEU 63 -9.411 0.140 10.769 444 2HB LEU 63 1HB LEU 63 -8.242 -1.167 10.752 445 HG LEU 63 HG LEU 63 -7.146 0.897 11.359 446 1HD1 LEU 63 1HD1 LEU 63 -6.255 -0.844 9.495 447 2HD1 LEU 63 2HD1 LEU 63 -5.302 0.493 10.138 448 3HD1 LEU 63 3HD1 LEU 63 -6.151 0.674 8.603 449 1HD2 LEU 63 1HD2 LEU 63 -7.876 2.032 8.675 450 2HD2 LEU 63 2HD2 LEU 63 -7.164 2.857 10.062 451 3HD2 LEU 63 3HD2 LEU 63 -8.845 2.329 10.119 452 H TRP 64 H TRP 64 -10.776 -2.374 8.953 453 HA TRP 64 HA TRP 64 -9.082 -4.649 8.936 454 1HB TRP 64 2HB TRP 64 -11.276 -5.901 9.067 455 2HB TRP 64 1HB TRP 64 -10.956 -4.788 10.392 456 HD1 TRP 64 HD TRP 64 -12.403 -2.454 10.387 457 HE1 TRP 64 1HE TRP 64 -14.736 -1.959 9.399 458 HE3 TRP 64 3HE TRP 64 -12.819 -6.404 7.209 459 HZ2 TRP 64 2HZ TRP 64 -16.515 -3.094 7.562 460 HZ3 TRP 64 3HZ TRP 64 -14.873 -6.645 5.867 461 HH2 TRP 64 HH TRP 64 -16.680 -5.007 6.048 462 H LYS 65 H LYS 65 -11.756 -3.517 6.861 463 HA LYS 65 HA LYS 65 -11.397 -5.436 4.874 464 1HB LYS 65 2HB LYS 65 -12.517 -3.683 3.365 465 2HB LYS 65 1HB LYS 65 -13.424 -4.253 4.753 466 1HG LYS 65 2HG LYS 65 -12.177 -2.085 5.790 467 2HG LYS 65 1HG LYS 65 -12.413 -1.594 4.116 468 1HD LYS 65 2HD LYS 65 -14.472 -2.344 6.159 469 2HD LYS 65 1HD LYS 65 -14.364 -0.879 5.196 470 1HE LYS 65 2HE LYS 65 -14.580 -2.853 3.293 471 2HE LYS 65 1HE LYS 65 -15.630 -3.433 4.586 472 1HZ LYS 65 1HZ LYS 65 -15.903 -0.626 3.901 473 2HZ LYS 65 2HZ LYS 65 -17.093 -1.775 4.257 474 3HZ LYS 65 3HZ LYS 65 -16.410 -1.716 2.710 475 H ARG 66 H ARG 66 -9.878 -2.338 5.443 476 HA ARG 66 HA ARG 66 -8.458 -2.124 3.028 477 1HB ARG 66 2HB ARG 66 -8.420 -0.900 5.705 478 2HB ARG 66 1HB ARG 66 -6.873 -0.899 4.884 479 1HG ARG 66 2HG ARG 66 -8.374 0.013 2.887 480 2HG ARG 66 1HG ARG 66 -9.370 0.552 4.239 481 1HD ARG 66 2HD ARG 66 -7.560 2.145 3.333 482 2HD ARG 66 1HD ARG 66 -7.701 1.937 5.078 483 HE ARG 66 HE ARG 66 -5.833 0.121 3.910 484 1HH1 ARG 66 1HH1 ARG 66 -6.236 3.395 5.055 485 2HH1 ARG 66 2HH1 ARG 66 -4.555 3.614 5.407 486 1HH2 ARG 66 1HH2 ARG 66 -3.619 0.408 4.375 487 2HH2 ARG 66 2HH2 ARG 66 -3.068 1.916 5.022 488 H ASN 67 H ASN 67 -7.732 -3.599 6.173 489 HA ASN 67 HA ASN 67 -5.097 -4.348 5.588 490 1HB ASN 67 2HB ASN 67 -7.107 -4.869 7.667 491 2HB ASN 67 1HB ASN 67 -5.936 -6.158 7.447 492 1HD2 ASN 67 1HD2 ASN 67 -6.323 -4.337 9.688 493 2HD2 ASN 67 2HD2 ASN 67 -4.818 -3.519 9.909 494 H GLU 68 H GLU 68 -8.202 -6.037 5.270 495 HA GLU 68 HA GLU 68 -7.135 -8.488 4.468 496 1HB GLU 68 2HB GLU 68 -9.842 -7.263 3.999 497 2HB GLU 68 1HB GLU 68 -9.441 -8.917 3.556 498 1HG GLU 68 2HG GLU 68 -8.996 -8.005 6.357 499 2HG GLU 68 1HG GLU 68 -10.628 -8.398 5.814 500 H LEU 69 H LEU 69 -7.684 -5.558 2.823 501 HA LEU 69 HA LEU 69 -7.454 -6.733 0.177 502 1HB LEU 69 2HB LEU 69 -7.834 -3.908 1.156 503 2HB LEU 69 1HB LEU 69 -7.612 -4.308 -0.541 504 HG LEU 69 HG LEU 69 -9.860 -5.308 1.203 505 1HD1 LEU 69 1HD1 LEU 69 -10.423 -3.102 0.859 506 2HD1 LEU 69 2HD1 LEU 69 -11.150 -3.871 -0.553 507 3HD1 LEU 69 3HD1 LEU 69 -9.608 -3.026 -0.703 508 1HD2 LEU 69 1HD2 LEU 69 -8.778 -6.381 -1.128 509 2HD2 LEU 69 2HD2 LEU 69 -10.235 -5.526 -1.644 510 3HD2 LEU 69 3HD2 LEU 69 -10.336 -6.771 -0.396 511 H LYS 70 H LYS 70 -5.694 -4.375 2.149 512 HA LYS 70 HA LYS 70 -3.584 -3.884 0.453 513 1HB LYS 70 2HB LYS 70 -2.672 -2.758 2.213 514 2HB LYS 70 1HB LYS 70 -4.308 -2.908 2.801 515 1HG LYS 70 2HG LYS 70 -3.693 -4.743 4.221 516 2HG LYS 70 1HG LYS 70 -2.061 -4.762 3.551 517 1HD LYS 70 2HD LYS 70 -2.243 -3.634 5.771 518 2HD LYS 70 1HD LYS 70 -1.574 -2.618 4.494 519 1HE LYS 70 2HE LYS 70 -3.781 -1.578 4.191 520 2HE LYS 70 1HE LYS 70 -4.418 -2.571 5.499 521 1HZ LYS 70 1HZ LYS 70 -2.371 -0.438 5.684 522 2HZ LYS 70 2HZ LYS 70 -2.678 -1.526 6.941 523 3HZ LYS 70 3HZ LYS 70 -3.897 -0.477 6.415 524 H LYS 71 H LYS 71 -4.218 -6.658 2.417 525 HA LYS 71 HA LYS 71 -1.574 -7.689 2.202 526 1HB LYS 71 2HB LYS 71 -2.683 -8.426 4.129 527 2HB LYS 71 1HB LYS 71 -4.167 -8.752 3.254 528 1HG LYS 71 2HG LYS 71 -2.117 -10.439 2.218 529 2HG LYS 71 1HG LYS 71 -2.113 -10.549 3.976 530 1HD LYS 71 2HD LYS 71 -3.611 -12.198 2.849 531 2HD LYS 71 1HD LYS 71 -4.425 -11.156 4.017 532 1HE LYS 71 2HE LYS 71 -5.447 -9.877 2.330 533 2HE LYS 71 1HE LYS 71 -4.353 -10.489 1.089 534 1HZ LYS 71 1HZ LYS 71 -6.011 -11.883 0.616 535 2HZ LYS 71 2HZ LYS 71 -6.805 -11.615 2.085 536 3HZ LYS 71 3HZ LYS 71 -5.544 -12.738 1.999 537 H LYS 72 H LYS 72 -4.438 -7.768 0.338 538 HA LYS 72 HA LYS 72 -3.876 -10.026 -1.212 539 1HB LYS 72 2HB LYS 72 -5.816 -7.874 -1.245 540 2HB LYS 72 1HB LYS 72 -5.288 -8.290 -2.868 541 1HG LYS 72 2HG LYS 72 -6.442 -10.193 -2.870 542 2HG LYS 72 1HG LYS 72 -5.905 -10.624 -1.245 543 1HD LYS 72 2HD LYS 72 -7.705 -8.402 -1.094 544 2HD LYS 72 1HD LYS 72 -8.445 -9.690 -2.048 545 1HE LYS 72 2HE LYS 72 -7.128 -10.227 0.592 546 2HE LYS 72 1HE LYS 72 -8.810 -9.713 0.485 547 1HZ LYS 72 1HZ LYS 72 -9.193 -11.641 -1.003 548 2HZ LYS 72 2HZ LYS 72 -8.748 -12.080 0.569 549 3HZ LYS 72 3HZ LYS 72 -7.615 -12.165 -0.684 550 H ALA 73 H ALA 73 -2.979 -6.704 -1.330 551 HA ALA 73 HA ALA 73 -1.559 -7.004 -3.822 552 1HB ALA 73 1HB ALA 73 -2.920 -4.999 -3.362 553 2HB ALA 73 2HB ALA 73 -1.232 -4.627 -3.723 554 3HB ALA 73 3HB ALA 73 -1.810 -4.587 -2.056 555 H SER 74 H SER 74 -0.924 -7.479 -0.547 556 HA SER 74 HA SER 74 1.014 -8.051 0.517 557 1HB SER 74 2HB SER 74 2.661 -7.224 -1.862 558 2HB SER 74 1HB SER 74 3.004 -8.463 -0.655 559 HG SER 74 HG SER 74 1.846 -9.855 -1.747 560 H LEU 75 H LEU 75 -0.146 -5.245 -0.019 561 HA LEU 75 HA LEU 75 2.158 -3.580 0.613 562 1HB LEU 75 2HB LEU 75 -0.732 -2.772 0.280 563 2HB LEU 75 1HB LEU 75 0.655 -1.702 0.325 564 HG LEU 75 HG LEU 75 -0.169 -3.593 -1.861 565 1HD1 LEU 75 1HD1 LEU 75 -0.349 -1.703 -3.208 566 2HD1 LEU 75 2HD1 LEU 75 0.627 -0.718 -2.113 567 3HD1 LEU 75 3HD1 LEU 75 -1.013 -1.179 -1.658 568 1HD2 LEU 75 1HD2 LEU 75 2.035 -4.068 -1.973 569 2HD2 LEU 75 2HD2 LEU 75 2.523 -2.571 -1.179 570 3HD2 LEU 75 3HD2 LEU 75 2.051 -2.554 -2.878 571 H PHE 76 H PHE 76 0.765 -5.638 2.417 572 HA PHE 76 HA PHE 76 -0.258 -4.075 4.580 573 1HB PHE 76 2HB PHE 76 -0.980 -6.449 3.919 574 2HB PHE 76 1HB PHE 76 0.495 -6.984 4.718 575 HD1 PHE 76 1HD PHE 76 -2.893 -6.611 5.155 576 HD2 PHE 76 2HD PHE 76 0.778 -5.804 7.155 577 HE1 PHE 76 1HE PHE 76 -4.068 -6.619 7.312 578 HE2 PHE 76 2HE PHE 76 -0.397 -5.807 9.317 579 HZ PHE 76 HZ PHE 76 -2.825 -6.215 9.395 Start of MODEL 12 1 HA PRO 9 HA PRO 9 -1.347 14.415 0.439 2 1HB PRO 9 2HB PRO 9 0.742 16.260 1.249 3 2HB PRO 9 1HB PRO 9 -0.118 16.153 -0.293 4 1HG PRO 9 2HG PRO 9 -0.473 18.197 1.469 5 2HG PRO 9 1HG PRO 9 -1.732 17.641 0.353 6 1HD PRO 9 2HD PRO 9 -1.374 17.019 3.270 7 2HD PRO 9 1HD PRO 9 -2.857 17.429 2.385 8 H GLY 10 H GLY 10 -1.109 12.470 1.617 9 1HA GLY 10 2HA GLY 10 0.609 12.270 3.891 10 2HA GLY 10 1HA GLY 10 -0.054 10.930 2.970 11 H LEU 11 H LEU 11 1.715 9.681 2.678 12 HA LEU 11 HA LEU 11 4.284 10.699 2.104 13 1HB LEU 11 2HB LEU 11 3.404 7.903 1.477 14 2HB LEU 11 1HB LEU 11 4.992 8.465 1.962 15 HG LEU 11 HG LEU 11 3.496 9.149 4.142 16 1HD1 LEU 11 1HD1 LEU 11 2.108 6.996 2.709 17 2HD1 LEU 11 2HD1 LEU 11 1.510 8.126 3.923 18 3HD1 LEU 11 3HD1 LEU 11 2.406 6.691 4.420 19 1HD2 LEU 11 1HD2 LEU 11 5.418 7.095 3.410 20 2HD2 LEU 11 2HD2 LEU 11 4.366 6.603 4.737 21 3HD2 LEU 11 3HD2 LEU 11 5.316 8.083 4.866 22 H GLN 12 H GLN 12 5.467 10.641 0.169 23 HA GLN 12 HA GLN 12 4.117 11.422 -2.122 24 1HB GLN 12 2HB GLN 12 6.759 11.307 -1.295 25 2HB GLN 12 1HB GLN 12 6.713 10.238 -2.691 26 1HG GLN 12 2HG GLN 12 5.484 12.952 -2.838 27 2HG GLN 12 1HG GLN 12 7.228 12.751 -3.010 28 1HE2 GLN 12 1HE2 GLN 12 4.116 12.154 -4.423 29 2HE2 GLN 12 2HE2 GLN 12 4.684 11.654 -5.976 30 H ILE 13 H ILE 13 3.506 10.426 -3.981 31 HA ILE 13 HA ILE 13 2.781 7.701 -3.871 32 HB ILE 13 HB ILE 13 2.892 9.533 -6.261 33 1HG1 ILE 13 2HG1 ILE 13 1.579 10.326 -4.220 34 2HG1 ILE 13 1HG1 ILE 13 0.708 10.248 -5.744 35 1HG2 ILE 13 1HG2 ILE 13 1.961 6.781 -5.888 36 2HG2 ILE 13 2HG2 ILE 13 2.380 7.658 -7.360 37 3HG2 ILE 13 3HG2 ILE 13 0.784 7.857 -6.643 38 1HD1 ILE 13 1HD1 ILE 13 0.516 7.786 -4.234 39 2HD1 ILE 13 2HD1 ILE 13 -0.756 8.787 -4.934 40 3HD1 ILE 13 3HD1 ILE 13 -0.096 9.180 -3.345 41 H TYR 14 H TYR 14 3.776 5.926 -4.564 42 HA TYR 14 HA TYR 14 6.203 6.209 -6.207 43 1HB TYR 14 2HB TYR 14 5.679 4.150 -4.050 44 2HB TYR 14 1HB TYR 14 7.118 4.238 -5.059 45 HD1 TYR 14 1HD TYR 14 7.115 7.409 -4.872 46 HD2 TYR 14 2HD TYR 14 7.027 4.250 -2.029 47 HE1 TYR 14 1HE TYR 14 8.184 8.879 -3.215 48 HE2 TYR 14 2HE TYR 14 8.091 5.705 -0.365 49 HH TYR 14 HH TYR 14 9.434 7.694 -0.243 50 HA PRO 15 HA PRO 15 4.180 3.485 -9.020 51 1HB PRO 15 2HB PRO 15 6.278 2.346 -10.285 52 2HB PRO 15 1HB PRO 15 5.842 4.044 -10.511 53 1HG PRO 15 2HG PRO 15 7.968 2.852 -8.773 54 2HG PRO 15 1HG PRO 15 8.051 4.278 -9.822 55 1HD PRO 15 2HD PRO 15 7.686 4.435 -7.132 56 2HD PRO 15 1HD PRO 15 7.040 5.635 -8.267 57 H TYR 16 H TYR 16 4.069 2.367 -6.524 58 HA TYR 16 HA TYR 16 3.851 0.384 -5.417 59 1HB TYR 16 2HB TYR 16 2.466 -0.029 -7.445 60 2HB TYR 16 1HB TYR 16 3.857 -0.804 -8.186 61 HD1 TYR 16 1HD TYR 16 3.841 -3.106 -8.172 62 HD2 TYR 16 2HD TYR 16 1.962 -1.048 -4.956 63 HE1 TYR 16 1HE TYR 16 3.113 -5.252 -7.228 64 HE2 TYR 16 2HE TYR 16 1.236 -3.190 -3.999 65 HH TYR 16 HH TYR 16 2.321 -5.811 -4.327 66 H GLU 17 H GLU 17 5.741 -0.724 -8.136 67 HA GLU 17 HA GLU 17 7.295 -2.585 -6.889 68 1HB GLU 17 2HB GLU 17 8.824 -2.434 -8.749 69 2HB GLU 17 1HB GLU 17 7.179 -2.240 -9.337 70 1HG GLU 17 2HG GLU 17 7.733 0.316 -9.035 71 2HG GLU 17 1HG GLU 17 9.391 -0.264 -9.192 72 H MET 18 H MET 18 7.592 0.849 -6.715 73 HA MET 18 HA MET 18 10.288 1.050 -5.964 74 1HB MET 18 2HB MET 18 8.010 2.789 -6.120 75 2HB MET 18 1HB MET 18 8.844 3.061 -4.596 76 1HG MET 18 2HG MET 18 10.237 3.051 -7.258 77 2HG MET 18 1HG MET 18 9.568 4.503 -6.516 78 1HE MET 18 1HE MET 18 13.515 2.568 -5.869 79 2HE MET 18 2HE MET 18 12.209 2.126 -6.969 80 3HE MET 18 3HE MET 18 12.242 1.472 -5.331 81 H LEU 19 H LEU 19 7.469 0.024 -4.310 82 HA LEU 19 HA LEU 19 8.863 -0.028 -1.720 83 1HB LEU 19 2HB LEU 19 5.941 -0.470 -2.276 84 2HB LEU 19 1HB LEU 19 6.691 -0.175 -0.715 85 HG LEU 19 HG LEU 19 7.131 1.977 -2.646 86 1HD1 LEU 19 1HD1 LEU 19 5.048 2.496 -3.245 87 2HD1 LEU 19 2HD1 LEU 19 4.409 2.148 -1.641 88 3HD1 LEU 19 3HD1 LEU 19 4.630 0.845 -2.802 89 1HD2 LEU 19 1HD2 LEU 19 7.636 2.738 -0.594 90 2HD2 LEU 19 2HD2 LEU 19 6.579 1.583 0.211 91 3HD2 LEU 19 3HD2 LEU 19 5.905 3.054 -0.486 92 H VAL 20 H VAL 20 6.718 -1.896 -3.807 93 HA VAL 20 HA VAL 20 6.580 -4.312 -2.574 94 HB VAL 20 HB VAL 20 6.985 -3.928 -5.534 95 1HG1 VAL 20 1HG1 VAL 20 7.059 -6.202 -5.211 96 2HG1 VAL 20 2HG1 VAL 20 5.342 -5.934 -5.496 97 3HG1 VAL 20 3HG1 VAL 20 5.941 -6.163 -3.852 98 1HG2 VAL 20 1HG2 VAL 20 5.007 -2.834 -3.887 99 2HG2 VAL 20 2HG2 VAL 20 4.255 -4.206 -4.692 100 3HG2 VAL 20 3HG2 VAL 20 5.006 -2.930 -5.646 101 H VAL 21 H VAL 21 7.890 -5.965 -2.113 102 HA VAL 21 HA VAL 21 10.676 -5.695 -2.371 103 HB VAL 21 HB VAL 21 9.161 -8.222 -1.723 104 1HG1 VAL 21 1HG1 VAL 21 12.003 -7.396 -1.587 105 2HG1 VAL 21 2HG1 VAL 21 11.294 -8.977 -1.916 106 3HG1 VAL 21 3HG1 VAL 21 11.380 -8.378 -0.260 107 1HG2 VAL 21 1HG2 VAL 21 8.867 -5.910 -0.359 108 2HG2 VAL 21 2HG2 VAL 21 10.274 -6.588 0.460 109 3HG2 VAL 21 3HG2 VAL 21 8.772 -7.508 0.380 110 H THR 22 H THR 22 11.782 -5.930 -4.173 111 HA THR 22 HA THR 22 10.866 -7.739 -6.241 112 HB THR 22 HB THR 22 13.151 -6.306 -7.078 113 HG1 THR 22 1HG THR 22 11.209 -4.677 -5.821 114 1HG2 THR 22 1HG2 THR 22 10.498 -5.302 -7.863 115 2HG2 THR 22 2HG2 THR 22 10.850 -6.992 -8.225 116 3HG2 THR 22 3HG2 THR 22 11.898 -5.719 -8.852 117 H ASN 23 H ASN 23 13.354 -8.151 -7.522 118 HA ASN 23 HA ASN 23 14.275 -10.477 -6.446 119 1HB ASN 23 2HB ASN 23 14.931 -9.043 -8.640 120 2HB ASN 23 1HB ASN 23 16.379 -8.787 -7.671 121 1HD2 ASN 23 1HD2 ASN 23 14.204 -11.552 -8.130 122 2HD2 ASN 23 2HD2 ASN 23 15.442 -12.667 -8.590 123 H LYS 24 H LYS 24 15.808 -11.124 -4.975 124 HA LYS 24 HA LYS 24 17.223 -11.030 -3.192 125 1HB LYS 24 2HB LYS 24 17.735 -8.137 -3.876 126 2HB LYS 24 1HB LYS 24 18.784 -9.237 -2.992 127 1HG LYS 24 2HG LYS 24 18.051 -9.594 -5.887 128 2HG LYS 24 1HG LYS 24 19.499 -8.752 -5.331 129 1HD LYS 24 2HD LYS 24 18.832 -11.587 -4.562 130 2HD LYS 24 1HD LYS 24 19.823 -11.170 -5.960 131 1HE LYS 24 2HE LYS 24 21.548 -11.275 -4.539 132 2HE LYS 24 1HE LYS 24 20.989 -9.704 -3.968 133 1HZ LYS 24 1HZ LYS 24 20.354 -12.356 -2.800 134 2HZ LYS 24 2HZ LYS 24 19.618 -10.914 -2.316 135 3HZ LYS 24 3HZ LYS 24 21.281 -11.127 -2.098 136 H GLY 25 H GLY 25 16.547 -10.989 -1.149 137 1HA GLY 25 2HA GLY 25 14.388 -9.214 -0.398 138 2HA GLY 25 1HA GLY 25 15.061 -10.509 0.576 139 H ARG 26 H ARG 26 17.586 -8.643 -0.536 140 HA ARG 26 HA ARG 26 17.951 -7.476 2.053 141 1HB ARG 26 2HB ARG 26 19.661 -7.514 -0.423 142 2HB ARG 26 1HB ARG 26 20.130 -6.684 1.053 143 1HG ARG 26 2HG ARG 26 21.047 -8.581 1.733 144 2HG ARG 26 1HG ARG 26 19.419 -9.247 1.873 145 1HD ARG 26 2HD ARG 26 19.519 -10.101 -0.373 146 2HD ARG 26 1HD ARG 26 21.064 -9.301 -0.652 147 HE ARG 26 HE ARG 26 20.619 -11.788 0.717 148 1HH1 ARG 26 1HH1 ARG 26 22.780 -9.071 0.351 149 2HH1 ARG 26 2HH1 ARG 26 24.171 -9.943 0.900 150 1HH2 ARG 26 1HH2 ARG 26 22.449 -12.937 1.441 151 2HH2 ARG 26 2HH2 ARG 26 23.984 -12.137 1.517 152 H THR 27 H THR 27 16.125 -6.485 -0.410 153 HA THR 27 HA THR 27 16.957 -3.829 -0.832 154 HB THR 27 HB THR 27 15.537 -4.436 -2.497 155 HG1 THR 27 1HG THR 27 14.696 -2.530 -1.730 156 1HG2 THR 27 1HG2 THR 27 14.190 -6.081 -0.473 157 2HG2 THR 27 2HG2 THR 27 14.529 -6.415 -2.171 158 3HG2 THR 27 3HG2 THR 27 13.151 -5.408 -1.729 159 H LYS 28 H LYS 28 15.740 -1.920 -0.255 160 HA LYS 28 HA LYS 28 14.537 -2.078 2.428 161 1HB LYS 28 2HB LYS 28 15.704 -0.050 3.090 162 2HB LYS 28 1HB LYS 28 16.863 -1.280 2.606 163 1HG LYS 28 2HG LYS 28 16.903 -0.155 0.338 164 2HG LYS 28 1HG LYS 28 16.024 1.174 1.096 165 1HD LYS 28 2HD LYS 28 18.409 0.262 2.555 166 2HD LYS 28 1HD LYS 28 18.728 0.991 0.980 167 1HE LYS 28 2HE LYS 28 16.990 2.277 3.074 168 2HE LYS 28 1HE LYS 28 18.723 2.574 2.946 169 1HZ LYS 28 1HZ LYS 28 18.452 3.543 0.832 170 2HZ LYS 28 2HZ LYS 28 17.234 4.215 1.794 171 3HZ LYS 28 3HZ LYS 28 16.856 2.997 0.684 172 H LEU 29 H LEU 29 12.989 -0.453 2.915 173 HA LEU 29 HA LEU 29 11.512 0.412 0.630 174 1HB LEU 29 2HB LEU 29 11.080 0.447 3.579 175 2HB LEU 29 1HB LEU 29 10.100 1.497 2.568 176 HG LEU 29 HG LEU 29 10.229 -1.515 2.485 177 1HD1 LEU 29 1HD1 LEU 29 8.309 0.513 3.484 178 2HD1 LEU 29 2HD1 LEU 29 8.731 -1.070 4.139 179 3HD1 LEU 29 3HD1 LEU 29 7.655 -0.950 2.745 180 1HD2 LEU 29 1HD2 LEU 29 8.265 -0.973 0.780 181 2HD2 LEU 29 2HD2 LEU 29 9.938 -1.165 0.256 182 3HD2 LEU 29 3HD2 LEU 29 9.265 0.449 0.485 183 HA PRO 30 HA PRO 30 12.783 4.575 -0.002 184 1HB PRO 30 2HB PRO 30 9.942 5.334 0.548 185 2HB PRO 30 1HB PRO 30 10.983 5.782 -0.811 186 1HG PRO 30 2HG PRO 30 9.110 3.935 -1.125 187 2HG PRO 30 1HG PRO 30 10.707 3.725 -1.865 188 1HD PRO 30 2HD PRO 30 9.549 2.414 0.553 189 2HD PRO 30 1HD PRO 30 10.638 1.748 -0.681 190 HA PRO 31 HA PRO 31 13.432 6.400 3.975 191 1HB PRO 31 2HB PRO 31 13.901 8.987 3.276 192 2HB PRO 31 1HB PRO 31 15.075 7.691 3.020 193 1HG PRO 31 2HG PRO 31 13.160 8.924 1.076 194 2HG PRO 31 1HG PRO 31 14.861 8.480 0.843 195 1HD PRO 31 2HD PRO 31 12.830 6.935 -0.043 196 2HD PRO 31 1HD PRO 31 14.366 6.249 0.523 197 H GLY 32 H GLY 32 11.083 5.993 4.421 198 1HA GLY 32 2HA GLY 32 9.648 7.457 5.875 199 2HA GLY 32 1HA GLY 32 9.563 8.527 4.482 200 H VAL 33 H VAL 33 9.049 5.074 5.187 201 HA VAL 33 HA VAL 33 6.598 5.200 3.649 202 HB VAL 33 HB VAL 33 8.556 2.972 3.838 203 1HG1 VAL 33 1HG1 VAL 33 5.761 2.984 2.781 204 2HG1 VAL 33 2HG1 VAL 33 6.498 1.854 3.915 205 3HG1 VAL 33 3HG1 VAL 33 6.963 1.826 2.215 206 1HG2 VAL 33 1HG2 VAL 33 8.093 5.085 1.984 207 2HG2 VAL 33 2HG2 VAL 33 7.888 3.525 1.189 208 3HG2 VAL 33 3HG2 VAL 33 9.400 3.905 2.015 209 H ASP 34 H ASP 34 4.876 3.950 4.277 210 HA ASP 34 HA ASP 34 4.871 3.388 7.143 211 1HB ASP 34 2HB ASP 34 3.278 5.001 5.632 212 2HB ASP 34 1HB ASP 34 2.308 3.527 5.703 213 H ARG 35 H ARG 35 5.471 1.261 7.278 214 HA ARG 35 HA ARG 35 4.910 -0.820 5.574 215 1HB ARG 35 2HB ARG 35 6.042 -0.549 8.109 216 2HB ARG 35 1HB ARG 35 4.724 -1.690 8.338 217 1HG ARG 35 2HG ARG 35 5.697 -2.897 6.284 218 2HG ARG 35 1HG ARG 35 7.142 -1.934 6.595 219 1HD ARG 35 2HD ARG 35 6.098 -3.178 9.005 220 2HD ARG 35 1HD ARG 35 6.499 -4.359 7.758 221 HE ARG 35 HE ARG 35 8.668 -2.725 7.827 222 1HH1 ARG 35 1HH1 ARG 35 6.942 -4.565 10.238 223 2HH1 ARG 35 2HH1 ARG 35 8.344 -4.829 11.220 224 1HH2 ARG 35 1HH2 ARG 35 10.513 -3.071 9.117 225 2HH2 ARG 35 2HH2 ARG 35 10.371 -3.981 10.584 226 H MET 36 H MET 36 2.912 0.383 8.238 227 HA MET 36 HA MET 36 0.815 -1.496 7.622 228 1HB MET 36 2HB MET 36 1.044 0.638 9.736 229 2HB MET 36 1HB MET 36 -0.342 -0.430 9.563 230 1HG MET 36 2HG MET 36 0.690 -2.125 10.575 231 2HG MET 36 1HG MET 36 2.196 -1.853 9.700 232 1HE MET 36 1HE MET 36 3.905 -0.049 10.288 233 2HE MET 36 2HE MET 36 4.007 0.815 11.821 234 3HE MET 36 3HE MET 36 2.816 1.300 10.613 235 H ARG 37 H ARG 37 1.720 1.122 6.080 236 HA ARG 37 HA ARG 37 -0.953 1.740 5.169 237 1HB ARG 37 2HB ARG 37 0.285 3.399 7.099 238 2HB ARG 37 1HB ARG 37 0.362 4.269 5.574 239 1HG ARG 37 2HG ARG 37 -1.642 4.949 6.563 240 2HG ARG 37 1HG ARG 37 -2.120 3.768 5.343 241 1HD ARG 37 2HD ARG 37 -2.745 2.215 6.893 242 2HD ARG 37 1HD ARG 37 -1.570 2.773 8.083 243 HE ARG 37 HE ARG 37 -3.693 4.647 7.582 244 1HH1 ARG 37 1HH1 ARG 37 -2.713 1.865 9.447 245 2HH1 ARG 37 2HH1 ARG 37 -3.817 2.187 10.741 246 1HH2 ARG 37 1HH2 ARG 37 -5.147 5.072 9.283 247 2HH2 ARG 37 2HH2 ARG 37 -5.200 4.007 10.648 248 H LEU 38 H LEU 38 0.794 0.407 3.738 249 HA LEU 38 HA LEU 38 2.601 1.968 2.219 250 1HB LEU 38 2HB LEU 38 1.705 -0.785 2.375 251 2HB LEU 38 1HB LEU 38 1.923 -0.283 0.719 252 HG LEU 38 HG LEU 38 3.980 -1.196 1.213 253 1HD1 LEU 38 1HD1 LEU 38 4.244 1.699 1.979 254 2HD1 LEU 38 2HD1 LEU 38 4.364 1.019 0.356 255 3HD1 LEU 38 3HD1 LEU 38 5.588 0.635 1.568 256 1HD2 LEU 38 1HD2 LEU 38 3.306 -0.405 3.951 257 2HD2 LEU 38 2HD2 LEU 38 5.021 -0.297 3.555 258 3HD2 LEU 38 3HD2 LEU 38 4.163 -1.825 3.353 259 H GLU 39 H GLU 39 -0.721 1.152 1.932 260 HA GLU 39 HA GLU 39 -1.223 1.552 -0.760 261 1HB GLU 39 2HB GLU 39 -3.515 1.914 -0.182 262 2HB GLU 39 1HB GLU 39 -2.864 0.725 0.938 263 1HG GLU 39 2HG GLU 39 -4.066 2.082 2.337 264 2HG GLU 39 1HG GLU 39 -2.452 2.778 2.470 265 H ARG 40 H ARG 40 -0.533 3.882 1.715 266 HA ARG 40 HA ARG 40 -1.529 6.149 0.367 267 1HB ARG 40 2HB ARG 40 0.194 5.666 2.724 268 2HB ARG 40 1HB ARG 40 0.322 7.245 1.960 269 1HG ARG 40 2HG ARG 40 -1.455 7.888 3.105 270 2HG ARG 40 1HG ARG 40 -2.421 6.733 2.185 271 1HD ARG 40 2HD ARG 40 -2.726 5.480 3.993 272 2HD ARG 40 1HD ARG 40 -0.986 5.358 4.250 273 HE ARG 40 HE ARG 40 -1.233 6.812 5.977 274 1HH1 ARG 40 1HH1 ARG 40 -3.846 7.366 3.730 275 2HH1 ARG 40 2HH1 ARG 40 -4.594 8.583 4.708 276 1HH2 ARG 40 1HH2 ARG 40 -2.216 8.411 7.264 277 2HH2 ARG 40 2HH2 ARG 40 -3.670 9.177 6.714 278 H HIS 41 H HIS 41 1.004 4.167 -0.401 279 HA HIS 41 HA HIS 41 2.608 6.298 -1.613 280 1HB HIS 41 2HB HIS 41 3.149 3.377 -1.104 281 2HB HIS 41 1HB HIS 41 4.209 4.380 -2.088 282 HD1 HIS 41 1HD HIS 41 5.491 6.310 -0.821 283 HD2 HIS 41 2HD HIS 41 3.449 3.641 1.610 284 HE1 HIS 41 1HE HIS 41 6.411 6.663 1.495 285 HE2 HIS 41 2HE HIS 41 4.952 5.237 2.965 286 H LEU 42 H LEU 42 0.675 3.458 -2.390 287 HA LEU 42 HA LEU 42 1.296 3.142 -5.065 288 1HB LEU 42 2HB LEU 42 -0.907 2.462 -3.258 289 2HB LEU 42 1HB LEU 42 -1.367 2.583 -4.934 290 HG LEU 42 HG LEU 42 0.433 0.610 -3.612 291 1HD1 LEU 42 1HD1 LEU 42 -1.988 0.658 -5.331 292 2HD1 LEU 42 2HD1 LEU 42 -1.648 -0.296 -3.883 293 3HD1 LEU 42 3HD1 LEU 42 -0.920 -0.746 -5.426 294 1HD2 LEU 42 1HD2 LEU 42 0.784 1.757 -6.317 295 2HD2 LEU 42 2HD2 LEU 42 0.824 -0.001 -6.202 296 3HD2 LEU 42 3HD2 LEU 42 1.954 0.970 -5.260 297 H SER 43 H SER 43 0.742 4.151 -6.895 298 HA SER 43 HA SER 43 -0.470 6.731 -6.745 299 1HB SER 43 2HB SER 43 1.103 5.348 -8.631 300 2HB SER 43 1HB SER 43 -0.426 5.752 -9.414 301 HG SER 43 HG SER 43 1.531 7.343 -9.216 302 H ALA 44 H ALA 44 -2.352 7.298 -8.061 303 HA ALA 44 HA ALA 44 -4.576 5.765 -7.351 304 1HB ALA 44 1HB ALA 44 -4.436 7.748 -9.615 305 2HB ALA 44 2HB ALA 44 -4.622 8.193 -7.916 306 3HB ALA 44 3HB ALA 44 -5.878 7.256 -8.726 307 H GLU 45 H GLU 45 -2.579 5.752 -10.190 308 HA GLU 45 HA GLU 45 -4.264 4.133 -11.758 309 1HB GLU 45 2HB GLU 45 -1.331 4.790 -11.997 310 2HB GLU 45 1HB GLU 45 -2.230 3.867 -13.194 311 1HG GLU 45 2HG GLU 45 -2.262 5.978 -14.094 312 2HG GLU 45 1HG GLU 45 -3.800 5.929 -13.234 313 H ASP 46 H ASP 46 -2.016 3.575 -9.218 314 HA ASP 46 HA ASP 46 -1.725 0.814 -9.945 315 1HB ASP 46 2HB ASP 46 -0.437 2.445 -7.775 316 2HB ASP 46 1HB ASP 46 -0.255 0.692 -7.879 317 H PHE 47 H PHE 47 -3.041 2.756 -7.260 318 HA PHE 47 HA PHE 47 -3.857 0.587 -5.705 319 1HB PHE 47 2HB PHE 47 -3.932 2.838 -4.801 320 2HB PHE 47 1HB PHE 47 -5.144 3.300 -5.996 321 HD1 PHE 47 1HD PHE 47 -4.530 1.736 -2.815 322 HD2 PHE 47 2HD PHE 47 -7.412 2.278 -5.899 323 HE1 PHE 47 1HE PHE 47 -6.297 0.977 -1.294 324 HE2 PHE 47 2HE PHE 47 -9.187 1.543 -4.375 325 HZ PHE 47 HZ PHE 47 -8.638 0.886 -2.073 326 H SER 48 H SER 48 -5.658 2.466 -7.998 327 HA SER 48 HA SER 48 -7.999 1.012 -8.023 328 1HB SER 48 2HB SER 48 -6.693 2.784 -10.043 329 2HB SER 48 1HB SER 48 -8.168 1.913 -10.467 330 HG SER 48 HG SER 48 -8.818 3.845 -9.639 331 H ARG 49 H ARG 49 -5.007 0.335 -9.583 332 HA ARG 49 HA ARG 49 -6.160 -1.818 -11.094 333 1HB ARG 49 2HB ARG 49 -3.593 -0.357 -11.170 334 2HB ARG 49 1HB ARG 49 -3.575 -2.027 -11.714 335 1HG ARG 49 2HG ARG 49 -5.583 -1.316 -13.184 336 2HG ARG 49 1HG ARG 49 -5.000 0.321 -12.884 337 1HD ARG 49 2HD ARG 49 -2.883 -1.536 -13.640 338 2HD ARG 49 1HD ARG 49 -4.129 -1.366 -14.875 339 HE ARG 49 HE ARG 49 -2.216 0.621 -14.046 340 1HH1 ARG 49 1HH1 ARG 49 -5.298 0.063 -15.586 341 2HH1 ARG 49 2HH1 ARG 49 -5.269 1.554 -16.466 342 1HH2 ARG 49 1HH2 ARG 49 -2.177 2.582 -15.201 343 2HH2 ARG 49 2HH2 ARG 49 -3.497 2.984 -16.248 344 H VAL 50 H VAL 50 -4.520 -1.274 -8.215 345 HA VAL 50 HA VAL 50 -3.433 -3.904 -7.948 346 HB VAL 50 HB VAL 50 -3.355 -1.417 -6.312 347 1HG1 VAL 50 1HG1 VAL 50 -1.994 -3.813 -5.253 348 2HG1 VAL 50 2HG1 VAL 50 -3.709 -3.647 -4.904 349 3HG1 VAL 50 3HG1 VAL 50 -2.578 -2.392 -4.406 350 1HG2 VAL 50 1HG2 VAL 50 -1.424 -1.250 -7.323 351 2HG2 VAL 50 2HG2 VAL 50 -1.683 -2.767 -8.159 352 3HG2 VAL 50 3HG2 VAL 50 -0.874 -2.745 -6.591 353 H PHE 51 H PHE 51 -5.970 -1.979 -6.358 354 HA PHE 51 HA PHE 51 -6.912 -4.445 -5.100 355 1HB PHE 51 2HB PHE 51 -7.563 -1.609 -4.292 356 2HB PHE 51 1HB PHE 51 -7.926 -3.079 -3.393 357 HD1 PHE 51 1HD PHE 51 -6.039 -4.424 -2.453 358 HD2 PHE 51 2HD PHE 51 -5.484 -0.523 -4.065 359 HE1 PHE 51 1HE PHE 51 -3.893 -4.244 -1.271 360 HE2 PHE 51 2HE PHE 51 -3.346 -0.326 -2.862 361 HZ PHE 51 HZ PHE 51 -2.539 -2.195 -1.472 362 H ALA 52 H ALA 52 -7.545 -2.671 -7.743 363 HA ALA 52 HA ALA 52 -9.317 -2.373 -9.123 364 1HB ALA 52 1HB ALA 52 -9.309 -4.904 -8.308 365 2HB ALA 52 2HB ALA 52 -10.490 -4.265 -9.457 366 3HB ALA 52 3HB ALA 52 -10.916 -4.431 -7.750 367 H MET 53 H MET 53 -9.244 -0.602 -7.034 368 HA MET 53 HA MET 53 -12.065 -0.025 -6.668 369 1HB MET 53 2HB MET 53 -10.217 -0.757 -4.558 370 2HB MET 53 1HB MET 53 -10.866 0.852 -4.298 371 1HG MET 53 2HG MET 53 -13.012 0.102 -4.034 372 2HG MET 53 1HG MET 53 -12.724 -1.381 -4.944 373 1HE MET 53 1HE MET 53 -9.784 -2.155 -3.267 374 2HE MET 53 2HE MET 53 -10.969 -3.160 -4.107 375 3HE MET 53 3HE MET 53 -10.598 -3.470 -2.414 376 H SER 54 H SER 54 -11.880 2.270 -5.225 377 HA SER 54 HA SER 54 -10.315 3.989 -6.985 378 1HB SER 54 2HB SER 54 -11.886 5.788 -5.937 379 2HB SER 54 1HB SER 54 -12.529 4.714 -7.176 380 HG SER 54 HG SER 54 -13.199 4.938 -4.536 381 HA PRO 55 HA PRO 55 -7.276 4.636 -3.843 382 1HB PRO 55 2HB PRO 55 -7.308 7.469 -4.376 383 2HB PRO 55 1HB PRO 55 -6.078 6.287 -4.825 384 1HG PRO 55 2HG PRO 55 -8.322 7.359 -6.422 385 2HG PRO 55 1HG PRO 55 -6.794 6.650 -6.968 386 1HD PRO 55 2HD PRO 55 -9.115 5.360 -7.242 387 2HD PRO 55 1HD PRO 55 -7.620 4.485 -6.834 388 H GLU 56 H GLU 56 -10.001 6.773 -4.173 389 HA GLU 56 HA GLU 56 -9.985 7.814 -1.580 390 1HB GLU 56 2HB GLU 56 -12.374 8.406 -2.232 391 2HB GLU 56 1HB GLU 56 -11.085 9.125 -3.171 392 1HG GLU 56 2HG GLU 56 -12.140 6.581 -4.181 393 2HG GLU 56 1HG GLU 56 -13.275 7.926 -4.195 394 H GLU 57 H GLU 57 -11.765 5.194 -3.143 395 HA GLU 57 HA GLU 57 -13.575 4.549 -1.259 396 1HB GLU 57 2HB GLU 57 -12.127 3.087 -3.331 397 2HB GLU 57 1HB GLU 57 -12.719 2.082 -2.033 398 1HG GLU 57 2HG GLU 57 -14.565 4.030 -3.307 399 2HG GLU 57 1HG GLU 57 -14.173 2.533 -4.150 400 H PHE 58 H PHE 58 -10.247 3.772 -1.394 401 HA PHE 58 HA PHE 58 -10.075 2.234 0.957 402 1HB PHE 58 2HB PHE 58 -8.317 2.933 -1.070 403 2HB PHE 58 1HB PHE 58 -7.649 3.729 0.350 404 HD1 PHE 58 1HD PHE 58 -9.304 0.454 -0.271 405 HD2 PHE 58 2HD PHE 58 -5.935 2.515 1.276 406 HE1 PHE 58 1HE PHE 58 -8.341 -1.681 0.456 407 HE2 PHE 58 2HE PHE 58 -4.961 0.385 2.007 408 HZ PHE 58 HZ PHE 58 -6.169 -1.706 1.592 409 H GLY 59 H GLY 59 -9.582 5.675 0.244 410 1HA GLY 59 2HA GLY 59 -8.739 6.459 2.810 411 2HA GLY 59 1HA GLY 59 -9.533 7.500 1.639 412 H LYS 60 H LYS 60 -11.814 5.363 1.786 413 HA LYS 60 HA LYS 60 -13.064 6.532 4.104 414 1HB LYS 60 2HB LYS 60 -14.424 5.382 1.687 415 2HB LYS 60 1HB LYS 60 -15.209 6.224 3.016 416 1HG LYS 60 2HG LYS 60 -13.124 7.534 1.300 417 2HG LYS 60 1HG LYS 60 -14.837 7.533 0.879 418 1HD LYS 60 2HD LYS 60 -14.989 9.388 2.118 419 2HD LYS 60 1HD LYS 60 -14.844 8.324 3.518 420 1HE LYS 60 2HE LYS 60 -12.236 8.659 2.809 421 2HE LYS 60 1HE LYS 60 -12.922 10.225 2.377 422 1HZ LYS 60 1HZ LYS 60 -13.281 10.754 4.519 423 2HZ LYS 60 2HZ LYS 60 -12.069 9.614 4.819 424 3HZ LYS 60 3HZ LYS 60 -13.696 9.177 4.972 425 H LEU 61 H LEU 61 -12.181 3.571 2.659 426 HA LEU 61 HA LEU 61 -13.920 1.772 3.840 427 1HB LEU 61 2HB LEU 61 -11.064 1.583 2.979 428 2HB LEU 61 1HB LEU 61 -11.838 0.225 3.758 429 HG LEU 61 HG LEU 61 -12.963 1.519 1.287 430 1HD1 LEU 61 1HD1 LEU 61 -11.494 -1.047 1.148 431 2HD1 LEU 61 2HD1 LEU 61 -10.553 0.434 1.232 432 3HD1 LEU 61 3HD1 LEU 61 -11.711 0.200 -0.077 433 1HD2 LEU 61 1HD2 LEU 61 -13.470 -1.058 2.744 434 2HD2 LEU 61 2HD2 LEU 61 -14.001 -0.776 1.088 435 3HD2 LEU 61 3HD2 LEU 61 -14.608 0.241 2.393 436 H ALA 62 H ALA 62 -12.596 0.001 5.388 437 HA ALA 62 HA ALA 62 -12.218 1.494 7.886 438 1HB ALA 62 1HB ALA 62 -12.692 -1.474 7.628 439 2HB ALA 62 2HB ALA 62 -14.010 -0.296 7.673 440 3HB ALA 62 3HB ALA 62 -12.915 -0.441 9.046 441 H LEU 63 H LEU 63 -10.863 -0.295 9.408 442 HA LEU 63 HA LEU 63 -8.231 -0.212 8.192 443 1HB LEU 63 2HB LEU 63 -9.222 0.081 10.823 444 2HB LEU 63 1HB LEU 63 -8.199 -1.344 10.821 445 HG LEU 63 HG LEU 63 -6.892 0.579 11.457 446 1HD1 LEU 63 1HD1 LEU 63 -6.157 -1.224 9.598 447 2HD1 LEU 63 2HD1 LEU 63 -5.084 0.021 10.236 448 3HD1 LEU 63 3HD1 LEU 63 -5.910 0.272 8.698 449 1HD2 LEU 63 1HD2 LEU 63 -8.248 1.797 9.132 450 2HD2 LEU 63 2HD2 LEU 63 -6.566 2.255 9.395 451 3HD2 LEU 63 3HD2 LEU 63 -7.759 2.514 10.667 452 H TRP 64 H TRP 64 -10.672 -2.435 8.986 453 HA TRP 64 HA TRP 64 -9.033 -4.745 8.903 454 1HB TRP 64 2HB TRP 64 -11.258 -5.948 8.977 455 2HB TRP 64 1HB TRP 64 -10.921 -4.884 10.337 456 HD1 TRP 64 HD TRP 64 -12.312 -2.512 10.389 457 HE1 TRP 64 1HE TRP 64 -14.629 -1.938 9.407 458 HE3 TRP 64 3HE TRP 64 -12.802 -6.364 7.106 459 HZ2 TRP 64 2HZ TRP 64 -16.425 -2.981 7.533 460 HZ3 TRP 64 3HZ TRP 64 -14.856 -6.521 5.748 461 HH2 TRP 64 HH TRP 64 -16.625 -4.849 5.966 462 H LYS 65 H LYS 65 -11.660 -3.494 6.839 463 HA LYS 65 HA LYS 65 -11.321 -5.362 4.800 464 1HB LYS 65 2HB LYS 65 -12.410 -3.551 3.339 465 2HB LYS 65 1HB LYS 65 -13.329 -4.143 4.712 466 1HG LYS 65 2HG LYS 65 -12.059 -2.029 5.814 467 2HG LYS 65 1HG LYS 65 -12.260 -1.485 4.152 468 1HD LYS 65 2HD LYS 65 -14.356 -2.228 6.156 469 2HD LYS 65 1HD LYS 65 -14.216 -0.758 5.202 470 1HE LYS 65 2HE LYS 65 -14.454 -2.678 3.267 471 2HE LYS 65 1HE LYS 65 -15.484 -3.314 4.549 472 1HZ LYS 65 1HZ LYS 65 -15.771 -0.486 3.883 473 2HZ LYS 65 2HZ LYS 65 -16.945 -1.613 4.346 474 3HZ LYS 65 3HZ LYS 65 -16.363 -1.605 2.759 475 H ARG 66 H ARG 66 -9.746 -2.308 5.464 476 HA ARG 66 HA ARG 66 -8.315 -2.074 3.052 477 1HB ARG 66 2HB ARG 66 -8.251 -0.896 5.756 478 2HB ARG 66 1HB ARG 66 -6.718 -0.887 4.909 479 1HG ARG 66 2HG ARG 66 -8.227 0.079 2.953 480 2HG ARG 66 1HG ARG 66 -9.226 0.580 4.319 481 1HD ARG 66 2HD ARG 66 -7.448 2.218 3.477 482 2HD ARG 66 1HD ARG 66 -7.537 1.923 5.213 483 HE ARG 66 HE ARG 66 -5.697 0.165 3.952 484 1HH1 ARG 66 1HH1 ARG 66 -6.066 3.448 5.084 485 2HH1 ARG 66 2HH1 ARG 66 -4.372 3.677 5.356 486 1HH2 ARG 66 1HH2 ARG 66 -3.466 0.469 4.308 487 2HH2 ARG 66 2HH2 ARG 66 -2.896 1.987 4.914 488 H ASN 67 H ASN 67 -7.702 -3.672 6.144 489 HA ASN 67 HA ASN 67 -5.054 -4.422 5.652 490 1HB ASN 67 2HB ASN 67 -7.169 -5.035 7.595 491 2HB ASN 67 1HB ASN 67 -5.992 -6.317 7.366 492 1HD2 ASN 67 1HD2 ASN 67 -6.466 -4.654 9.690 493 2HD2 ASN 67 2HD2 ASN 67 -4.980 -3.840 10.022 494 H GLU 68 H GLU 68 -8.140 -6.138 5.134 495 HA GLU 68 HA GLU 68 -6.943 -8.490 4.214 496 1HB GLU 68 2HB GLU 68 -9.083 -9.281 3.714 497 2HB GLU 68 1HB GLU 68 -9.307 -8.211 5.091 498 1HG GLU 68 2HG GLU 68 -10.136 -6.481 3.699 499 2HG GLU 68 1HG GLU 68 -9.710 -7.374 2.245 500 H LEU 69 H LEU 69 -7.521 -5.507 2.740 501 HA LEU 69 HA LEU 69 -7.337 -6.547 0.032 502 1HB LEU 69 2HB LEU 69 -7.667 -3.767 1.152 503 2HB LEU 69 1HB LEU 69 -7.470 -4.090 -0.566 504 HG LEU 69 HG LEU 69 -9.709 -5.142 1.157 505 1HD1 LEU 69 1HD1 LEU 69 -9.497 -2.812 -0.712 506 2HD1 LEU 69 2HD1 LEU 69 -10.165 -2.872 0.919 507 3HD1 LEU 69 3HD1 LEU 69 -11.041 -3.610 -0.421 508 1HD2 LEU 69 1HD2 LEU 69 -8.675 -6.116 -1.238 509 2HD2 LEU 69 2HD2 LEU 69 -10.125 -5.219 -1.690 510 3HD2 LEU 69 3HD2 LEU 69 -10.227 -6.520 -0.504 511 H LYS 70 H LYS 70 -5.539 -4.280 2.082 512 HA LYS 70 HA LYS 70 -3.416 -3.774 0.401 513 1HB LYS 70 2HB LYS 70 -2.605 -2.630 2.158 514 2HB LYS 70 1HB LYS 70 -4.128 -3.024 2.917 515 1HG LYS 70 2HG LYS 70 -2.869 -5.154 3.724 516 2HG LYS 70 1HG LYS 70 -1.431 -4.192 3.383 517 1HD LYS 70 2HD LYS 70 -3.673 -3.099 5.048 518 2HD LYS 70 1HD LYS 70 -2.417 -4.113 5.759 519 1HE LYS 70 2HE LYS 70 -0.838 -2.506 5.587 520 2HE LYS 70 1HE LYS 70 -1.470 -1.902 4.056 521 1HZ LYS 70 1HZ LYS 70 -3.402 -1.077 5.571 522 2HZ LYS 70 2HZ LYS 70 -1.970 -0.186 5.458 523 3HZ LYS 70 3HZ LYS 70 -2.239 -1.185 6.796 524 H LYS 71 H LYS 71 -4.052 -6.544 2.412 525 HA LYS 71 HA LYS 71 -1.480 -7.680 2.151 526 1HB LYS 71 2HB LYS 71 -2.630 -8.474 4.010 527 2HB LYS 71 1HB LYS 71 -4.134 -8.638 3.125 528 1HG LYS 71 2HG LYS 71 -2.439 -10.464 1.905 529 2HG LYS 71 1HG LYS 71 -2.041 -10.576 3.618 530 1HD LYS 71 2HD LYS 71 -3.832 -12.140 2.941 531 2HD LYS 71 1HD LYS 71 -4.352 -10.992 4.175 532 1HE LYS 71 2HE LYS 71 -5.640 -9.764 2.661 533 2HE LYS 71 1HE LYS 71 -4.802 -10.436 1.264 534 1HZ LYS 71 1HZ LYS 71 -6.144 -12.407 2.883 535 2HZ LYS 71 2HZ LYS 71 -6.162 -12.191 1.206 536 3HZ LYS 71 3HZ LYS 71 -7.191 -11.275 2.186 537 H LYS 72 H LYS 72 -4.328 -7.658 0.244 538 HA LYS 72 HA LYS 72 -3.739 -9.858 -1.382 539 1HB LYS 72 2HB LYS 72 -5.723 -7.762 -1.318 540 2HB LYS 72 1HB LYS 72 -5.172 -8.049 -2.962 541 1HG LYS 72 2HG LYS 72 -6.322 -9.940 -3.110 542 2HG LYS 72 1HG LYS 72 -5.696 -10.526 -1.567 543 1HD LYS 72 2HD LYS 72 -7.577 -8.392 -1.133 544 2HD LYS 72 1HD LYS 72 -8.302 -9.648 -2.139 545 1HE LYS 72 2HE LYS 72 -6.842 -10.245 0.420 546 2HE LYS 72 1HE LYS 72 -8.572 -9.910 0.366 547 1HZ LYS 72 1HZ LYS 72 -8.469 -11.773 -1.470 548 2HZ LYS 72 2HZ LYS 72 -8.602 -12.160 0.172 549 3HZ LYS 72 3HZ LYS 72 -7.099 -12.245 -0.598 550 H ALA 73 H ALA 73 -2.787 -6.569 -1.308 551 HA ALA 73 HA ALA 73 -1.351 -6.772 -3.811 552 1HB ALA 73 1HB ALA 73 -2.764 -4.793 -3.344 553 2HB ALA 73 2HB ALA 73 -1.077 -4.392 -3.676 554 3HB ALA 73 3HB ALA 73 -1.677 -4.383 -2.019 555 H SER 74 H SER 74 -0.802 -7.363 -0.563 556 HA SER 74 HA SER 74 1.105 -7.948 0.545 557 1HB SER 74 2HB SER 74 2.794 -6.997 -1.760 558 2HB SER 74 1HB SER 74 3.153 -8.251 -0.573 559 HG SER 74 HG SER 74 1.921 -8.471 -2.954 560 H LEU 75 H LEU 75 -0.102 -5.183 0.257 561 HA LEU 75 HA LEU 75 2.165 -3.477 0.915 562 1HB LEU 75 2HB LEU 75 -0.772 -2.804 0.723 563 2HB LEU 75 1HB LEU 75 0.540 -1.656 0.881 564 HG LEU 75 HG LEU 75 -0.194 -3.326 -1.498 565 1HD1 LEU 75 1HD1 LEU 75 -0.557 -1.332 -2.582 566 2HD1 LEU 75 2HD1 LEU 75 0.512 -0.429 -1.507 567 3HD1 LEU 75 3HD1 LEU 75 -1.079 -0.940 -0.942 568 1HD2 LEU 75 1HD2 LEU 75 2.076 -3.691 -1.546 569 2HD2 LEU 75 2HD2 LEU 75 2.452 -2.142 -0.791 570 3HD2 LEU 75 3HD2 LEU 75 1.933 -2.200 -2.476 571 H PHE 76 H PHE 76 0.750 -5.699 2.628 572 HA PHE 76 HA PHE 76 -0.108 -4.240 4.932 573 1HB PHE 76 2HB PHE 76 -0.910 -6.573 4.104 574 2HB PHE 76 1HB PHE 76 0.514 -7.172 4.949 575 HD1 PHE 76 1HD PHE 76 0.728 -5.940 7.404 576 HD2 PHE 76 2HD PHE 76 -2.859 -6.797 5.275 577 HE1 PHE 76 1HE PHE 76 -0.527 -5.936 9.520 578 HE2 PHE 76 2HE PHE 76 -4.115 -6.796 7.387 579 HZ PHE 76 HZ PHE 76 -2.954 -6.363 9.512 Start of MODEL 13 1 HA PRO 9 HA PRO 9 0.349 15.831 5.942 2 1HB PRO 9 2HB PRO 9 2.515 16.197 4.154 3 2HB PRO 9 1HB PRO 9 2.005 17.272 5.462 4 1HG PRO 9 2HG PRO 9 4.116 15.181 5.446 5 2HG PRO 9 1HG PRO 9 4.050 16.710 6.341 6 1HD PRO 9 2HD PRO 9 3.649 14.387 7.588 7 2HD PRO 9 1HD PRO 9 2.683 15.815 8.009 8 H GLY 10 H GLY 10 2.636 13.609 4.328 9 1HA GLY 10 2HA GLY 10 0.859 11.949 3.082 10 2HA GLY 10 1HA GLY 10 0.944 13.347 2.020 11 H LEU 11 H LEU 11 2.219 10.358 2.620 12 HA LEU 11 HA LEU 11 4.941 10.773 2.002 13 1HB LEU 11 2HB LEU 11 3.502 8.209 1.447 14 2HB LEU 11 1HB LEU 11 5.158 8.450 1.969 15 HG LEU 11 HG LEU 11 3.482 9.499 4.004 16 1HD1 LEU 11 1HD1 LEU 11 2.000 7.664 2.641 17 2HD1 LEU 11 2HD1 LEU 11 1.803 8.059 4.349 18 3HD1 LEU 11 3HD1 LEU 11 2.772 6.664 3.873 19 1HD2 LEU 11 1HD2 LEU 11 5.558 7.458 3.645 20 2HD2 LEU 11 2HD2 LEU 11 4.473 7.181 5.007 21 3HD2 LEU 11 3HD2 LEU 11 5.378 8.691 4.894 22 H GLN 12 H GLN 12 6.037 10.658 0.085 23 HA GLN 12 HA GLN 12 4.724 11.429 -2.247 24 1HB GLN 12 2HB GLN 12 7.355 11.262 -1.386 25 2HB GLN 12 1HB GLN 12 7.287 10.157 -2.751 26 1HG GLN 12 2HG GLN 12 6.203 12.939 -2.928 27 2HG GLN 12 1HG GLN 12 7.908 12.586 -3.203 28 1HE2 GLN 12 1HE2 GLN 12 4.650 12.065 -4.356 29 2HE2 GLN 12 2HE2 GLN 12 5.083 11.543 -5.945 30 H ILE 13 H ILE 13 3.970 10.385 -3.982 31 HA ILE 13 HA ILE 13 3.261 7.659 -3.806 32 HB ILE 13 HB ILE 13 3.236 9.476 -6.210 33 1HG1 ILE 13 2HG1 ILE 13 2.039 10.282 -4.102 34 2HG1 ILE 13 1HG1 ILE 13 1.087 10.200 -5.577 35 1HG2 ILE 13 1HG2 ILE 13 2.260 6.740 -5.736 36 2HG2 ILE 13 2HG2 ILE 13 2.714 7.551 -7.235 37 3HG2 ILE 13 3HG2 ILE 13 1.127 7.836 -6.527 38 1HD1 ILE 13 1HD1 ILE 13 0.919 7.723 -4.159 39 2HD1 ILE 13 2HD1 ILE 13 -0.365 8.839 -4.616 40 3HD1 ILE 13 3HD1 ILE 13 0.502 9.067 -3.098 41 H TYR 14 H TYR 14 4.063 5.871 -4.772 42 HA TYR 14 HA TYR 14 6.440 6.143 -6.484 43 1HB TYR 14 2HB TYR 14 6.068 3.902 -4.496 44 2HB TYR 14 1HB TYR 14 7.509 4.288 -5.424 45 HD1 TYR 14 1HD TYR 14 7.558 7.267 -4.933 46 HD2 TYR 14 2HD TYR 14 6.920 3.987 -2.311 47 HE1 TYR 14 1HE TYR 14 8.418 8.604 -3.056 48 HE2 TYR 14 2HE TYR 14 7.762 5.304 -0.431 49 HH TYR 14 HH TYR 14 9.367 8.312 -0.866 50 HA PRO 15 HA PRO 15 4.267 3.344 -9.104 51 1HB PRO 15 2HB PRO 15 6.212 2.042 -10.409 52 2HB PRO 15 1HB PRO 15 5.964 3.780 -10.610 53 1HG PRO 15 2HG PRO 15 7.997 2.332 -8.969 54 2HG PRO 15 1HG PRO 15 8.184 3.797 -9.949 55 1HD PRO 15 2HD PRO 15 7.841 3.765 -7.206 56 2HD PRO 15 1HD PRO 15 7.483 5.151 -8.252 57 H TYR 16 H TYR 16 4.221 2.323 -6.542 58 HA TYR 16 HA TYR 16 3.848 0.402 -5.368 59 1HB TYR 16 2HB TYR 16 2.327 -0.028 -7.237 60 2HB TYR 16 1HB TYR 16 3.639 -0.779 -8.133 61 HD1 TYR 16 1HD TYR 16 2.129 -1.154 -4.709 62 HD2 TYR 16 2HD TYR 16 3.532 -3.063 -8.242 63 HE1 TYR 16 1HE TYR 16 1.495 -3.337 -3.770 64 HE2 TYR 16 2HE TYR 16 2.904 -5.249 -7.316 65 HH TYR 16 HH TYR 16 1.245 -6.111 -5.595 66 H GLU 17 H GLU 17 5.634 -0.824 -8.112 67 HA GLU 17 HA GLU 17 7.032 -2.852 -6.985 68 1HB GLU 17 2HB GLU 17 7.700 -0.977 -9.216 69 2HB GLU 17 1HB GLU 17 8.882 -2.173 -8.704 70 1HG GLU 17 2HG GLU 17 6.935 -3.855 -8.983 71 2HG GLU 17 1HG GLU 17 6.205 -2.581 -9.958 72 H MET 18 H MET 18 7.619 0.535 -6.578 73 HA MET 18 HA MET 18 10.270 0.362 -5.622 74 1HB MET 18 2HB MET 18 8.195 2.413 -5.816 75 2HB MET 18 1HB MET 18 9.212 2.595 -4.394 76 1HG MET 18 2HG MET 18 10.649 2.079 -6.902 77 2HG MET 18 1HG MET 18 9.784 3.612 -6.827 78 1HE MET 18 1HE MET 18 12.760 1.773 -6.333 79 2HE MET 18 2HE MET 18 13.824 2.770 -5.341 80 3HE MET 18 3HE MET 18 13.272 3.359 -6.909 81 H LEU 19 H LEU 19 7.183 -0.191 -4.212 82 HA LEU 19 HA LEU 19 8.357 -0.447 -1.531 83 1HB LEU 19 2HB LEU 19 5.450 -0.223 -2.268 84 2HB LEU 19 1HB LEU 19 6.155 -0.076 -0.665 85 HG LEU 19 HG LEU 19 7.370 1.879 -2.343 86 1HD1 LEU 19 1HD1 LEU 19 4.361 1.847 -2.474 87 2HD1 LEU 19 2HD1 LEU 19 5.481 1.718 -3.826 88 3HD1 LEU 19 3HD1 LEU 19 5.373 3.218 -2.911 89 1HD2 LEU 19 1HD2 LEU 19 6.692 1.687 0.210 90 2HD2 LEU 19 2HD2 LEU 19 5.301 2.614 -0.353 91 3HD2 LEU 19 3HD2 LEU 19 6.933 3.241 -0.581 92 H VAL 20 H VAL 20 7.046 -2.193 -4.152 93 HA VAL 20 HA VAL 20 5.710 -4.306 -2.997 94 HB VAL 20 HB VAL 20 7.485 -4.243 -5.433 95 1HG1 VAL 20 1HG1 VAL 20 5.697 -6.483 -4.498 96 2HG1 VAL 20 2HG1 VAL 20 7.452 -6.539 -4.647 97 3HG1 VAL 20 3HG1 VAL 20 6.448 -6.381 -6.088 98 1HG2 VAL 20 1HG2 VAL 20 4.522 -4.118 -4.964 99 2HG2 VAL 20 2HG2 VAL 20 5.228 -4.428 -6.550 100 3HG2 VAL 20 3HG2 VAL 20 5.558 -2.912 -5.717 101 H VAL 21 H VAL 21 6.244 -5.829 -1.614 102 HA VAL 21 HA VAL 21 9.053 -6.562 -1.323 103 HB VAL 21 HB VAL 21 6.899 -6.698 0.786 104 1HG1 VAL 21 1HG1 VAL 21 9.663 -7.723 0.636 105 2HG1 VAL 21 2HG1 VAL 21 8.281 -8.311 1.560 106 3HG1 VAL 21 3HG1 VAL 21 9.206 -6.927 2.142 107 1HG2 VAL 21 1HG2 VAL 21 8.152 -4.445 -0.071 108 2HG2 VAL 21 2HG2 VAL 21 9.228 -4.971 1.222 109 3HG2 VAL 21 3HG2 VAL 21 7.520 -4.683 1.558 110 H THR 22 H THR 22 9.442 -8.493 -2.191 111 HA THR 22 HA THR 22 7.630 -10.672 -1.659 112 HB THR 22 HB THR 22 8.647 -10.713 -4.381 113 HG1 THR 22 1HG THR 22 8.037 -8.474 -4.048 114 1HG2 THR 22 1HG2 THR 22 5.903 -10.939 -4.449 115 2HG2 THR 22 2HG2 THR 22 6.364 -11.691 -2.921 116 3HG2 THR 22 3HG2 THR 22 7.070 -12.262 -4.433 117 H ASN 23 H ASN 23 8.954 -12.518 -3.406 118 HA ASN 23 HA ASN 23 11.149 -13.200 -1.740 119 1HB ASN 23 2HB ASN 23 10.269 -14.483 -4.326 120 2HB ASN 23 1HB ASN 23 11.338 -15.194 -3.120 121 1HD2 ASN 23 1HD2 ASN 23 10.470 -16.355 -1.539 122 2HD2 ASN 23 2HD2 ASN 23 8.783 -16.463 -1.187 123 H LYS 24 H LYS 24 11.070 -10.899 -3.998 124 HA LYS 24 HA LYS 24 13.371 -11.534 -5.536 125 1HB LYS 24 2HB LYS 24 11.788 -9.003 -5.176 126 2HB LYS 24 1HB LYS 24 13.208 -9.091 -6.209 127 1HG LYS 24 2HG LYS 24 11.961 -9.847 -7.869 128 2HG LYS 24 1HG LYS 24 11.506 -11.249 -6.898 129 1HD LYS 24 2HD LYS 24 9.685 -9.929 -5.891 130 2HD LYS 24 1HD LYS 24 10.127 -8.564 -6.918 131 1HE LYS 24 2HE LYS 24 8.874 -9.376 -8.559 132 2HE LYS 24 1HE LYS 24 9.823 -10.862 -8.566 133 1HZ LYS 24 1HZ LYS 24 8.354 -11.895 -7.112 134 2HZ LYS 24 2HZ LYS 24 7.330 -11.042 -8.153 135 3HZ LYS 24 3HZ LYS 24 7.655 -10.440 -6.605 136 H GLY 25 H GLY 25 13.181 -10.893 -2.371 137 1HA GLY 25 2HA GLY 25 15.348 -10.748 -1.219 138 2HA GLY 25 1HA GLY 25 15.776 -9.485 -2.364 139 H ARG 26 H ARG 26 15.357 -9.733 0.692 140 HA ARG 26 HA ARG 26 13.257 -7.967 1.344 141 1HB ARG 26 2HB ARG 26 14.864 -7.721 3.499 142 2HB ARG 26 1HB ARG 26 13.750 -9.055 3.259 143 1HG ARG 26 2HG ARG 26 15.984 -9.770 4.002 144 2HG ARG 26 1HG ARG 26 15.524 -10.461 2.446 145 1HD ARG 26 2HD ARG 26 17.164 -9.377 1.339 146 2HD ARG 26 1HD ARG 26 16.987 -7.914 2.304 147 HE ARG 26 HE ARG 26 18.124 -9.651 4.032 148 1HH1 ARG 26 1HH1 ARG 26 18.939 -8.638 0.794 149 2HH1 ARG 26 2HH1 ARG 26 20.641 -8.862 1.017 150 1HH2 ARG 26 1HH2 ARG 26 20.364 -9.944 4.329 151 2HH2 ARG 26 2HH2 ARG 26 21.451 -9.603 3.024 152 H THR 27 H THR 27 13.976 -6.453 -0.479 153 HA THR 27 HA THR 27 16.190 -4.760 -0.072 154 HB THR 27 HB THR 27 15.583 -4.620 -2.248 155 HG1 THR 27 1HG THR 27 15.569 -2.502 -1.551 156 1HG2 THR 27 1HG2 THR 27 13.678 -5.831 -2.580 157 2HG2 THR 27 2HG2 THR 27 13.073 -4.200 -2.873 158 3HG2 THR 27 3HG2 THR 27 12.788 -4.980 -1.317 159 H LYS 28 H LYS 28 16.085 -2.446 0.266 160 HA LYS 28 HA LYS 28 14.612 -1.860 2.673 161 1HB LYS 28 2HB LYS 28 15.840 0.268 2.646 162 2HB LYS 28 1HB LYS 28 16.918 -1.106 2.449 163 1HG LYS 28 2HG LYS 28 15.929 0.102 -0.045 164 2HG LYS 28 1HG LYS 28 17.005 1.108 0.926 165 1HD LYS 28 2HD LYS 28 18.800 -0.169 0.474 166 2HD LYS 28 1HD LYS 28 17.888 -1.672 0.630 167 1HE LYS 28 2HE LYS 28 16.847 -0.649 -1.663 168 2HE LYS 28 1HE LYS 28 18.512 -0.073 -1.753 169 1HZ LYS 28 1HZ LYS 28 19.134 -2.470 -1.230 170 2HZ LYS 28 2HZ LYS 28 18.547 -2.145 -2.784 171 3HZ LYS 28 3HZ LYS 28 17.536 -2.860 -1.632 172 H LEU 29 H LEU 29 13.079 -0.229 2.965 173 HA LEU 29 HA LEU 29 11.387 0.229 0.711 174 1HB LEU 29 2HB LEU 29 11.232 0.744 3.637 175 2HB LEU 29 1HB LEU 29 10.173 1.661 2.576 176 HG LEU 29 HG LEU 29 10.264 -1.341 2.882 177 1HD1 LEU 29 1HD1 LEU 29 8.564 0.828 3.937 178 2HD1 LEU 29 2HD1 LEU 29 8.959 -0.746 4.627 179 3HD1 LEU 29 3HD1 LEU 29 7.730 -0.618 3.369 180 1HD2 LEU 29 1HD2 LEU 29 9.819 -0.991 0.600 181 2HD2 LEU 29 2HD2 LEU 29 8.799 0.410 0.929 182 3HD2 LEU 29 3HD2 LEU 29 8.238 -1.208 1.353 183 HA PRO 30 HA PRO 30 12.632 4.208 -0.697 184 1HB PRO 30 2HB PRO 30 9.822 5.096 -0.256 185 2HB PRO 30 1HB PRO 30 10.819 5.200 -1.712 186 1HG PRO 30 2HG PRO 30 8.888 3.381 -1.525 187 2HG PRO 30 1HG PRO 30 10.438 2.985 -2.291 188 1HD PRO 30 2HD PRO 30 9.412 2.239 0.411 189 2HD PRO 30 1HD PRO 30 10.408 1.299 -0.717 190 HA PRO 31 HA PRO 31 13.270 6.942 2.706 191 1HB PRO 31 2HB PRO 31 13.034 9.421 1.608 192 2HB PRO 31 1HB PRO 31 14.425 8.367 1.328 193 1HG PRO 31 2HG PRO 31 12.034 8.847 -0.407 194 2HG PRO 31 1HG PRO 31 13.743 8.725 -0.865 195 1HD PRO 31 2HD PRO 31 12.012 6.676 -1.184 196 2HD PRO 31 1HD PRO 31 13.725 6.417 -0.799 197 H GLY 32 H GLY 32 11.635 6.722 4.171 198 1HA GLY 32 2HA GLY 32 9.935 7.647 5.469 199 2HA GLY 32 1HA GLY 32 9.610 8.797 4.180 200 H VAL 33 H VAL 33 9.317 5.327 4.898 201 HA VAL 33 HA VAL 33 6.821 5.307 3.432 202 HB VAL 33 HB VAL 33 8.851 3.161 3.715 203 1HG1 VAL 33 1HG1 VAL 33 6.036 2.945 2.693 204 2HG1 VAL 33 2HG1 VAL 33 6.763 2.049 4.026 205 3HG1 VAL 33 3HG1 VAL 33 7.286 1.745 2.370 206 1HG2 VAL 33 1HG2 VAL 33 8.227 5.100 1.737 207 2HG2 VAL 33 2HG2 VAL 33 7.998 3.484 1.068 208 3HG2 VAL 33 3HG2 VAL 33 9.554 3.939 1.767 209 H ASP 34 H ASP 34 5.135 4.057 4.181 210 HA ASP 34 HA ASP 34 5.211 3.709 7.081 211 1HB ASP 34 2HB ASP 34 3.556 5.195 5.498 212 2HB ASP 34 1HB ASP 34 2.603 3.725 5.719 213 H ARG 35 H ARG 35 5.843 1.605 7.335 214 HA ARG 35 HA ARG 35 5.163 -0.587 5.780 215 1HB ARG 35 2HB ARG 35 6.902 -0.602 7.534 216 2HB ARG 35 1HB ARG 35 5.646 -0.550 8.765 217 1HG ARG 35 2HG ARG 35 5.129 -2.723 6.982 218 2HG ARG 35 1HG ARG 35 6.798 -2.809 7.549 219 1HD ARG 35 2HD ARG 35 4.488 -2.375 9.422 220 2HD ARG 35 1HD ARG 35 5.025 -3.987 8.952 221 HE ARG 35 HE ARG 35 6.252 -2.280 10.853 222 1HH1 ARG 35 1HH1 ARG 35 6.997 -4.620 8.373 223 2HH1 ARG 35 2HH1 ARG 35 8.493 -5.099 9.099 224 1HH2 ARG 35 1HH2 ARG 35 8.220 -2.910 11.810 225 2HH2 ARG 35 2HH2 ARG 35 9.188 -4.128 11.051 226 H MET 36 H MET 36 3.355 1.025 8.293 227 HA MET 36 HA MET 36 1.291 -0.999 8.257 228 1HB MET 36 2HB MET 36 1.280 1.525 9.887 229 2HB MET 36 1HB MET 36 0.387 0.039 10.185 230 1HG MET 36 2HG MET 36 2.396 -1.120 10.781 231 2HG MET 36 1HG MET 36 3.384 0.262 10.311 232 1HE MET 36 1HE MET 36 3.501 2.412 11.395 233 2HE MET 36 2HE MET 36 3.026 2.792 13.050 234 3HE MET 36 3HE MET 36 1.831 2.855 11.754 235 H ARG 37 H ARG 37 2.005 1.423 6.272 236 HA ARG 37 HA ARG 37 -0.714 1.728 5.385 237 1HB ARG 37 2HB ARG 37 0.085 3.583 7.218 238 2HB ARG 37 1HB ARG 37 0.554 4.370 5.718 239 1HG ARG 37 2HG ARG 37 -1.549 5.150 5.779 240 2HG ARG 37 1HG ARG 37 -1.936 3.579 5.074 241 1HD ARG 37 2HD ARG 37 -3.420 3.594 6.808 242 2HD ARG 37 1HD ARG 37 -2.033 2.858 7.612 243 HE ARG 37 HE ARG 37 -1.826 4.734 8.914 244 1HH1 ARG 37 1HH1 ARG 37 -3.980 5.422 6.256 245 2HH1 ARG 37 2HH1 ARG 37 -4.485 6.949 6.897 246 1HH2 ARG 37 1HH2 ARG 37 -2.489 6.743 9.759 247 2HH2 ARG 37 2HH2 ARG 37 -3.638 7.700 8.885 248 H LEU 38 H LEU 38 1.071 0.458 4.003 249 HA LEU 38 HA LEU 38 2.771 1.999 2.364 250 1HB LEU 38 2HB LEU 38 1.976 -0.763 2.671 251 2HB LEU 38 1HB LEU 38 2.107 -0.341 0.983 252 HG LEU 38 HG LEU 38 4.215 -1.153 1.427 253 1HD1 LEU 38 1HD1 LEU 38 4.414 1.777 2.069 254 2HD1 LEU 38 2HD1 LEU 38 4.472 1.042 0.467 255 3HD1 LEU 38 3HD1 LEU 38 5.770 0.742 1.623 256 1HD2 LEU 38 1HD2 LEU 38 3.620 -0.270 4.154 257 2HD2 LEU 38 2HD2 LEU 38 5.313 -0.114 3.686 258 3HD2 LEU 38 3HD2 LEU 38 4.510 -1.681 3.583 259 H GLU 39 H GLU 39 -0.531 1.097 2.201 260 HA GLU 39 HA GLU 39 -1.115 1.383 -0.496 261 1HB GLU 39 2HB GLU 39 -2.908 2.229 1.785 262 2HB GLU 39 1HB GLU 39 -3.409 1.763 0.165 263 1HG GLU 39 2HG GLU 39 -3.785 -0.225 1.119 264 2HG GLU 39 1HG GLU 39 -2.049 -0.443 0.908 265 H ARG 40 H ARG 40 -0.447 3.808 1.898 266 HA ARG 40 HA ARG 40 -1.528 5.994 0.466 267 1HB ARG 40 2HB ARG 40 0.220 5.674 2.849 268 2HB ARG 40 1HB ARG 40 0.195 7.241 2.051 269 1HG ARG 40 2HG ARG 40 -2.463 6.134 2.526 270 2HG ARG 40 1HG ARG 40 -1.533 6.418 3.999 271 1HD ARG 40 2HD ARG 40 -1.665 8.648 3.792 272 2HD ARG 40 1HD ARG 40 -1.370 8.597 2.055 273 HE ARG 40 HE ARG 40 -3.973 7.659 2.633 274 1HH1 ARG 40 1HH1 ARG 40 -2.098 10.600 2.503 275 2HH1 ARG 40 2HH1 ARG 40 -3.465 11.605 2.158 276 1HH2 ARG 40 1HH2 ARG 40 -5.773 8.979 2.177 277 2HH2 ARG 40 2HH2 ARG 40 -5.552 10.685 1.972 278 H HIS 41 H HIS 41 1.095 4.081 -0.175 279 HA HIS 41 HA HIS 41 2.662 6.223 -1.406 280 1HB HIS 41 2HB HIS 41 3.266 3.332 -0.806 281 2HB HIS 41 1HB HIS 41 4.306 4.321 -1.825 282 HD1 HIS 41 1HD HIS 41 5.525 6.333 -0.655 283 HD2 HIS 41 2HD HIS 41 3.523 3.756 1.904 284 HE1 HIS 41 1HE HIS 41 6.410 6.841 1.640 285 HE2 HIS 41 2HE HIS 41 4.953 5.487 3.178 286 H LEU 42 H LEU 42 0.653 3.477 -2.184 287 HA LEU 42 HA LEU 42 1.375 3.052 -4.837 288 1HB LEU 42 2HB LEU 42 -0.900 2.488 -3.079 289 2HB LEU 42 1HB LEU 42 -1.313 2.598 -4.769 290 HG LEU 42 HG LEU 42 0.349 0.568 -3.361 291 1HD1 LEU 42 1HD1 LEU 42 -1.983 0.717 -5.187 292 2HD1 LEU 42 2HD1 LEU 42 -1.754 -0.250 -3.725 293 3HD1 LEU 42 3HD1 LEU 42 -0.979 -0.736 -5.233 294 1HD2 LEU 42 1HD2 LEU 42 0.839 1.634 -6.090 295 2HD2 LEU 42 2HD2 LEU 42 0.871 -0.116 -5.880 296 3HD2 LEU 42 3HD2 LEU 42 1.961 0.904 -4.942 297 H SER 43 H SER 43 0.956 4.099 -6.684 298 HA SER 43 HA SER 43 -0.165 6.711 -6.602 299 1HB SER 43 2HB SER 43 1.369 5.238 -8.440 300 2HB SER 43 1HB SER 43 -0.136 5.669 -9.253 301 HG SER 43 HG SER 43 0.278 7.852 -8.579 302 H ALA 44 H ALA 44 -2.003 7.345 -7.965 303 HA ALA 44 HA ALA 44 -4.303 5.925 -7.250 304 1HB ALA 44 1HB ALA 44 -4.057 7.889 -9.521 305 2HB ALA 44 2HB ALA 44 -4.232 8.350 -7.826 306 3HB ALA 44 3HB ALA 44 -5.526 7.468 -8.638 307 H GLU 45 H GLU 45 -2.297 5.820 -10.086 308 HA GLU 45 HA GLU 45 -4.043 4.255 -11.645 309 1HB GLU 45 2HB GLU 45 -1.098 4.844 -11.879 310 2HB GLU 45 1HB GLU 45 -1.987 3.889 -13.057 311 1HG GLU 45 2HG GLU 45 -1.952 5.994 -14.004 312 2HG GLU 45 1HG GLU 45 -3.536 5.933 -13.232 313 H ASP 46 H ASP 46 -1.829 3.634 -9.095 314 HA ASP 46 HA ASP 46 -1.621 0.862 -9.810 315 1HB ASP 46 2HB ASP 46 -0.292 2.474 -7.649 316 2HB ASP 46 1HB ASP 46 -0.174 0.714 -7.718 317 H PHE 47 H PHE 47 -2.900 2.857 -7.151 318 HA PHE 47 HA PHE 47 -3.809 0.716 -5.601 319 1HB PHE 47 2HB PHE 47 -3.784 2.983 -4.716 320 2HB PHE 47 1HB PHE 47 -4.991 3.475 -5.904 321 HD1 PHE 47 1HD PHE 47 -7.261 2.316 -5.829 322 HD2 PHE 47 2HD PHE 47 -4.431 2.148 -2.654 323 HE1 PHE 47 1HE PHE 47 -9.044 1.687 -4.276 324 HE2 PHE 47 2HE PHE 47 -6.215 1.500 -1.097 325 HZ PHE 47 HZ PHE 47 -8.533 1.270 -1.911 326 H SER 48 H SER 48 -5.558 2.702 -7.842 327 HA SER 48 HA SER 48 -7.937 1.335 -7.932 328 1HB SER 48 2HB SER 48 -8.479 2.560 -9.853 329 2HB SER 48 1HB SER 48 -7.286 3.574 -9.043 330 HG SER 48 HG SER 48 -6.586 3.460 -11.100 331 H ARG 49 H ARG 49 -4.954 0.558 -9.473 332 HA ARG 49 HA ARG 49 -6.179 -1.546 -10.996 333 1HB ARG 49 2HB ARG 49 -3.411 -0.405 -10.978 334 2HB ARG 49 1HB ARG 49 -3.799 -1.880 -11.853 335 1HG ARG 49 2HG ARG 49 -5.619 -0.503 -13.004 336 2HG ARG 49 1HG ARG 49 -4.780 0.907 -12.353 337 1HD ARG 49 2HD ARG 49 -2.716 -0.491 -13.435 338 2HD ARG 49 1HD ARG 49 -4.027 -0.906 -14.538 339 HE ARG 49 HE ARG 49 -3.780 1.912 -13.970 340 1HH1 ARG 49 1HH1 ARG 49 -2.792 -0.710 -16.054 341 2HH1 ARG 49 2HH1 ARG 49 -2.391 0.329 -17.378 342 1HH2 ARG 49 1HH2 ARG 49 -3.252 3.279 -15.713 343 2HH2 ARG 49 2HH2 ARG 49 -2.653 2.593 -17.187 344 H VAL 50 H VAL 50 -4.524 -1.088 -8.111 345 HA VAL 50 HA VAL 50 -3.525 -3.757 -7.860 346 HB VAL 50 HB VAL 50 -3.404 -1.288 -6.201 347 1HG1 VAL 50 1HG1 VAL 50 -2.104 -3.678 -5.092 348 2HG1 VAL 50 2HG1 VAL 50 -3.838 -3.567 -4.848 349 3HG1 VAL 50 3HG1 VAL 50 -2.780 -2.285 -4.269 350 1HG2 VAL 50 1HG2 VAL 50 -1.439 -1.173 -7.144 351 2HG2 VAL 50 2HG2 VAL 50 -1.736 -2.660 -8.025 352 3HG2 VAL 50 3HG2 VAL 50 -0.962 -2.705 -6.439 353 H PHE 51 H PHE 51 -5.994 -1.755 -6.288 354 HA PHE 51 HA PHE 51 -7.029 -4.159 -4.990 355 1HB PHE 51 2HB PHE 51 -7.607 -1.267 -4.331 356 2HB PHE 51 1HB PHE 51 -8.087 -2.676 -3.387 357 HD1 PHE 51 1HD PHE 51 -5.540 -0.232 -3.955 358 HD2 PHE 51 2HD PHE 51 -6.250 -4.143 -2.429 359 HE1 PHE 51 1HE PHE 51 -3.433 -0.119 -2.691 360 HE2 PHE 51 2HE PHE 51 -4.140 -4.043 -1.179 361 HZ PHE 51 HZ PHE 51 -2.719 -2.032 -1.306 362 H ALA 52 H ALA 52 -7.562 -2.475 -7.709 363 HA ALA 52 HA ALA 52 -9.258 -2.267 -9.179 364 1HB ALA 52 1HB ALA 52 -9.313 -4.738 -8.212 365 2HB ALA 52 2HB ALA 52 -10.429 -4.165 -9.458 366 3HB ALA 52 3HB ALA 52 -10.942 -4.225 -7.767 367 H MET 53 H MET 53 -9.291 -0.436 -7.012 368 HA MET 53 HA MET 53 -11.981 0.450 -7.254 369 1HB MET 53 2HB MET 53 -12.694 0.437 -5.033 370 2HB MET 53 1HB MET 53 -11.970 -1.146 -5.252 371 1HG MET 53 2HG MET 53 -9.857 -0.111 -4.263 372 2HG MET 53 1HG MET 53 -10.907 1.211 -3.750 373 1HE MET 53 1HE MET 53 -10.082 -2.382 -3.767 374 2HE MET 53 2HE MET 53 -11.768 -2.881 -3.635 375 3HE MET 53 3HE MET 53 -10.686 -3.054 -2.253 376 H SER 54 H SER 54 -12.254 2.677 -6.289 377 HA SER 54 HA SER 54 -10.086 4.274 -7.079 378 1HB SER 54 2HB SER 54 -11.525 6.030 -5.663 379 2HB SER 54 1HB SER 54 -12.026 5.473 -7.258 380 HG SER 54 HG SER 54 -13.107 4.940 -4.769 381 HA PRO 55 HA PRO 55 -7.456 4.574 -3.619 382 1HB PRO 55 2HB PRO 55 -7.488 7.521 -3.992 383 2HB PRO 55 1HB PRO 55 -6.113 6.408 -3.998 384 1HG PRO 55 2HG PRO 55 -6.988 7.451 -6.284 385 2HG PRO 55 1HG PRO 55 -6.493 5.750 -6.208 386 1HD PRO 55 2HD PRO 55 -9.247 6.914 -6.187 387 2HD PRO 55 1HD PRO 55 -8.620 5.510 -7.079 388 H GLU 56 H GLU 56 -10.042 6.855 -3.909 389 HA GLU 56 HA GLU 56 -10.298 7.580 -1.228 390 1HB GLU 56 2HB GLU 56 -12.653 8.170 -2.057 391 2HB GLU 56 1HB GLU 56 -11.301 9.056 -2.728 392 1HG GLU 56 2HG GLU 56 -11.421 7.814 -4.750 393 2HG GLU 56 1HG GLU 56 -12.572 6.676 -4.048 394 H GLU 57 H GLU 57 -11.741 5.116 -3.274 395 HA GLU 57 HA GLU 57 -13.741 4.134 -1.770 396 1HB GLU 57 2HB GLU 57 -11.895 3.016 -3.728 397 2HB GLU 57 1HB GLU 57 -12.588 1.832 -2.650 398 1HG GLU 57 2HG GLU 57 -14.476 3.749 -3.829 399 2HG GLU 57 1HG GLU 57 -13.718 2.619 -4.950 400 H PHE 58 H PHE 58 -10.377 3.738 -1.372 401 HA PHE 58 HA PHE 58 -10.432 1.917 0.797 402 1HB PHE 58 2HB PHE 58 -8.461 2.946 -0.870 403 2HB PHE 58 1HB PHE 58 -8.074 3.622 0.705 404 HD1 PHE 58 1HD PHE 58 -6.315 2.441 1.601 405 HD2 PHE 58 2HD PHE 58 -9.452 0.330 -0.320 406 HE1 PHE 58 1HE PHE 58 -5.285 0.321 2.272 407 HE2 PHE 58 2HE PHE 58 -8.432 -1.801 0.346 408 HZ PHE 58 HZ PHE 58 -6.351 -1.796 1.642 409 H GLY 59 H GLY 59 -9.944 5.417 0.481 410 1HA GLY 59 2HA GLY 59 -9.561 6.035 3.172 411 2HA GLY 59 1HA GLY 59 -10.278 7.122 1.991 412 H LYS 60 H LYS 60 -12.450 5.016 1.586 413 HA LYS 60 HA LYS 60 -14.096 5.932 3.749 414 1HB LYS 60 2HB LYS 60 -14.687 4.885 1.023 415 2HB LYS 60 1HB LYS 60 -15.946 4.901 2.250 416 1HG LYS 60 2HG LYS 60 -16.001 7.218 2.347 417 2HG LYS 60 1HG LYS 60 -14.397 7.383 1.631 418 1HD LYS 60 2HD LYS 60 -16.545 6.100 0.018 419 2HD LYS 60 1HD LYS 60 -16.587 7.851 0.231 420 1HE LYS 60 2HE LYS 60 -14.826 8.177 -1.120 421 2HE LYS 60 1HE LYS 60 -13.947 6.795 -0.466 422 1HZ LYS 60 1HZ LYS 60 -14.376 6.181 -2.638 423 2HZ LYS 60 2HZ LYS 60 -15.924 6.859 -2.652 424 3HZ LYS 60 3HZ LYS 60 -15.637 5.426 -1.802 425 H LEU 61 H LEU 61 -12.809 3.038 2.431 426 HA LEU 61 HA LEU 61 -14.441 1.093 3.507 427 1HB LEU 61 2HB LEU 61 -11.500 1.163 2.944 428 2HB LEU 61 1HB LEU 61 -12.254 -0.266 3.605 429 HG LEU 61 HG LEU 61 -13.241 0.981 1.062 430 1HD1 LEU 61 1HD1 LEU 61 -11.539 -1.359 0.764 431 2HD1 LEU 61 2HD1 LEU 61 -10.678 0.051 1.371 432 3HD1 LEU 61 3HD1 LEU 61 -11.566 0.148 -0.149 433 1HD2 LEU 61 1HD2 LEU 61 -13.485 -1.728 2.340 434 2HD2 LEU 61 2HD2 LEU 61 -13.935 -1.404 0.668 435 3HD2 LEU 61 3HD2 LEU 61 -14.771 -0.577 1.983 436 H ALA 62 H ALA 62 -13.138 -0.544 5.170 437 HA ALA 62 HA ALA 62 -13.076 0.958 7.685 438 1HB ALA 62 1HB ALA 62 -13.221 -2.041 7.390 439 2HB ALA 62 2HB ALA 62 -14.655 -1.008 7.331 440 3HB ALA 62 3HB ALA 62 -13.659 -1.047 8.785 441 H LEU 63 H LEU 63 -11.654 -0.739 9.276 442 HA LEU 63 HA LEU 63 -8.968 -0.354 8.244 443 1HB LEU 63 2HB LEU 63 -10.174 -0.277 10.824 444 2HB LEU 63 1HB LEU 63 -8.930 -1.514 10.841 445 HG LEU 63 HG LEU 63 -7.958 0.539 11.596 446 1HD1 LEU 63 1HD1 LEU 63 -6.893 -0.978 9.649 447 2HD1 LEU 63 2HD1 LEU 63 -6.062 0.392 10.386 448 3HD1 LEU 63 3HD1 LEU 63 -6.900 0.592 8.846 449 1HD2 LEU 63 1HD2 LEU 63 -7.877 2.430 9.766 450 2HD2 LEU 63 2HD2 LEU 63 -9.232 2.302 10.889 451 3HD2 LEU 63 3HD2 LEU 63 -9.385 1.677 9.247 452 H TRP 64 H TRP 64 -11.212 -2.827 8.856 453 HA TRP 64 HA TRP 64 -9.345 -4.958 8.843 454 1HB TRP 64 2HB TRP 64 -11.434 -6.381 8.803 455 2HB TRP 64 1HB TRP 64 -11.289 -5.291 10.178 456 HD1 TRP 64 HD TRP 64 -12.922 -3.091 10.161 457 HE1 TRP 64 1HE TRP 64 -15.215 -2.736 9.031 458 HE3 TRP 64 3HE TRP 64 -12.804 -6.918 6.815 459 HZ2 TRP 64 2HZ TRP 64 -16.769 -3.924 7.033 460 HZ3 TRP 64 3HZ TRP 64 -14.738 -7.259 5.323 461 HH2 TRP 64 HH TRP 64 -16.678 -5.776 5.439 462 H LYS 65 H LYS 65 -11.970 -3.955 6.641 463 HA LYS 65 HA LYS 65 -11.361 -5.783 4.632 464 1HB LYS 65 2HB LYS 65 -12.481 -4.034 3.101 465 2HB LYS 65 1HB LYS 65 -13.443 -4.733 4.389 466 1HG LYS 65 2HG LYS 65 -12.465 -2.551 5.629 467 2HG LYS 65 1HG LYS 65 -12.551 -1.982 3.965 468 1HD LYS 65 2HD LYS 65 -14.762 -2.942 5.743 469 2HD LYS 65 1HD LYS 65 -14.651 -1.440 4.836 470 1HE LYS 65 2HE LYS 65 -14.549 -3.310 2.848 471 2HE LYS 65 1HE LYS 65 -15.632 -4.072 4.011 472 1HZ LYS 65 1HZ LYS 65 -17.196 -2.452 3.759 473 2HZ LYS 65 2HZ LYS 65 -16.532 -2.432 2.204 474 3HZ LYS 65 3HZ LYS 65 -16.077 -1.257 3.333 475 H ARG 66 H ARG 66 -10.190 -2.532 5.263 476 HA ARG 66 HA ARG 66 -8.589 -2.186 3.007 477 1HB ARG 66 2HB ARG 66 -8.834 -1.040 5.701 478 2HB ARG 66 1HB ARG 66 -7.231 -0.912 5.012 479 1HG ARG 66 2HG ARG 66 -8.646 -0.059 2.918 480 2HG ARG 66 1HG ARG 66 -9.759 0.391 4.209 481 1HD ARG 66 2HD ARG 66 -7.988 2.105 3.442 482 2HD ARG 66 1HD ARG 66 -8.246 1.869 5.169 483 HE ARG 66 HE ARG 66 -6.186 0.179 4.154 484 1HH1 ARG 66 1HH1 ARG 66 -6.865 3.447 5.184 485 2HH1 ARG 66 2HH1 ARG 66 -5.234 3.766 5.672 486 1HH2 ARG 66 1HH2 ARG 66 -4.043 0.598 4.808 487 2HH2 ARG 66 2HH2 ARG 66 -3.631 2.150 5.455 488 H ASN 67 H ASN 67 -7.967 -3.702 6.164 489 HA ASN 67 HA ASN 67 -5.254 -4.247 5.746 490 1HB ASN 67 2HB ASN 67 -7.365 -4.999 7.643 491 2HB ASN 67 1HB ASN 67 -6.110 -6.210 7.444 492 1HD2 ASN 67 1HD2 ASN 67 -6.782 -4.483 9.720 493 2HD2 ASN 67 2HD2 ASN 67 -5.335 -3.619 10.097 494 H GLU 68 H GLU 68 -8.172 -6.248 5.285 495 HA GLU 68 HA GLU 68 -6.840 -8.515 4.377 496 1HB GLU 68 2HB GLU 68 -9.652 -7.587 3.830 497 2HB GLU 68 1HB GLU 68 -9.046 -9.194 3.450 498 1HG GLU 68 2HG GLU 68 -8.398 -9.080 6.045 499 2HG GLU 68 1HG GLU 68 -9.802 -8.014 6.042 500 H LEU 69 H LEU 69 -7.593 -5.583 2.839 501 HA LEU 69 HA LEU 69 -7.293 -6.621 0.149 502 1HB LEU 69 2HB LEU 69 -7.774 -3.866 1.269 503 2HB LEU 69 1HB LEU 69 -7.504 -4.157 -0.444 504 HG LEU 69 HG LEU 69 -9.733 -5.400 1.160 505 1HD1 LEU 69 1HD1 LEU 69 -9.674 -2.965 -0.604 506 2HD1 LEU 69 2HD1 LEU 69 -10.191 -3.078 1.078 507 3HD1 LEU 69 3HD1 LEU 69 -11.159 -3.823 -0.194 508 1HD2 LEU 69 1HD2 LEU 69 -8.605 -6.175 -1.232 509 2HD2 LEU 69 2HD2 LEU 69 -10.012 -5.229 -1.724 510 3HD2 LEU 69 3HD2 LEU 69 -10.210 -6.613 -0.646 511 H LYS 70 H LYS 70 -5.636 -4.206 2.153 512 HA LYS 70 HA LYS 70 -3.537 -3.626 0.489 513 1HB LYS 70 2HB LYS 70 -2.820 -2.396 2.226 514 2HB LYS 70 1HB LYS 70 -4.314 -2.887 2.989 515 1HG LYS 70 2HG LYS 70 -2.809 -4.929 3.766 516 2HG LYS 70 1HG LYS 70 -1.537 -3.728 3.545 517 1HD LYS 70 2HD LYS 70 -3.942 -2.829 5.001 518 2HD LYS 70 1HD LYS 70 -2.927 -4.012 5.827 519 1HE LYS 70 2HE LYS 70 -1.101 -2.593 5.896 520 2HE LYS 70 1HE LYS 70 -1.684 -1.615 4.550 521 1HZ LYS 70 1HZ LYS 70 -2.240 -0.216 6.202 522 2HZ LYS 70 2HZ LYS 70 -2.304 -1.429 7.379 523 3HZ LYS 70 3HZ LYS 70 -3.611 -1.198 6.331 524 H LYS 71 H LYS 71 -4.031 -6.466 2.426 525 HA LYS 71 HA LYS 71 -1.347 -7.380 2.183 526 1HB LYS 71 2HB LYS 71 -2.225 -9.538 3.043 527 2HB LYS 71 1HB LYS 71 -2.649 -8.168 4.062 528 1HG LYS 71 2HG LYS 71 -4.869 -8.117 3.148 529 2HG LYS 71 1HG LYS 71 -4.463 -9.395 2.004 530 1HD LYS 71 2HD LYS 71 -5.625 -10.469 3.752 531 2HD LYS 71 1HD LYS 71 -3.920 -10.831 4.030 532 1HE LYS 71 2HE LYS 71 -3.794 -9.483 5.879 533 2HE LYS 71 1HE LYS 71 -5.090 -8.422 5.328 534 1HZ LYS 71 1HZ LYS 71 -6.243 -9.528 6.893 535 2HZ LYS 71 2HZ LYS 71 -5.235 -10.886 6.858 536 3HZ LYS 71 3HZ LYS 71 -6.429 -10.689 5.677 537 H LYS 72 H LYS 72 -4.235 -7.649 0.343 538 HA LYS 72 HA LYS 72 -3.460 -9.782 -1.289 539 1HB LYS 72 2HB LYS 72 -5.618 -7.864 -1.201 540 2HB LYS 72 1HB LYS 72 -5.078 -8.131 -2.853 541 1HG LYS 72 2HG LYS 72 -6.216 -10.021 -2.931 542 2HG LYS 72 1HG LYS 72 -5.273 -10.654 -1.581 543 1HD LYS 72 2HD LYS 72 -7.699 -10.703 -1.144 544 2HD LYS 72 1HD LYS 72 -6.826 -9.687 0.002 545 1HE LYS 72 2HE LYS 72 -8.751 -8.466 -0.589 546 2HE LYS 72 1HE LYS 72 -7.427 -7.729 -1.489 547 1HZ LYS 72 1HZ LYS 72 -9.725 -9.219 -2.457 548 2HZ LYS 72 2HZ LYS 72 -8.262 -9.536 -3.246 549 3HZ LYS 72 3HZ LYS 72 -8.866 -7.957 -3.187 550 H ALA 73 H ALA 73 -2.762 -6.442 -1.176 551 HA ALA 73 HA ALA 73 -1.421 -6.440 -3.735 552 1HB ALA 73 1HB ALA 73 -2.852 -4.546 -3.112 553 2HB ALA 73 2HB ALA 73 -1.181 -4.053 -3.399 554 3HB ALA 73 3HB ALA 73 -1.787 -4.211 -1.749 555 H SER 74 H SER 74 -0.684 -7.270 -0.585 556 HA SER 74 HA SER 74 1.290 -7.851 0.394 557 1HB SER 74 2HB SER 74 2.813 -6.701 -1.940 558 2HB SER 74 1HB SER 74 3.291 -8.001 -0.847 559 HG SER 74 HG SER 74 2.088 -9.388 -1.941 560 H LEU 75 H LEU 75 0.048 -5.002 0.107 561 HA LEU 75 HA LEU 75 2.269 -3.303 0.795 562 1HB LEU 75 2HB LEU 75 -0.698 -2.748 0.884 563 2HB LEU 75 1HB LEU 75 0.576 -1.553 1.015 564 HG LEU 75 HG LEU 75 -0.333 -3.075 -1.394 565 1HD1 LEU 75 1HD1 LEU 75 -0.480 -0.933 -2.401 566 2HD1 LEU 75 2HD1 LEU 75 0.390 -0.174 -1.066 567 3HD1 LEU 75 3HD1 LEU 75 -1.236 -0.810 -0.812 568 1HD2 LEU 75 1HD2 LEU 75 1.909 -3.507 -1.621 569 2HD2 LEU 75 2HD2 LEU 75 2.396 -2.004 -0.838 570 3HD2 LEU 75 3HD2 LEU 75 1.745 -1.972 -2.477 571 H PHE 76 H PHE 76 0.033 -5.323 2.455 572 HA PHE 76 HA PHE 76 -0.178 -4.083 4.926 573 1HB PHE 76 2HB PHE 76 -1.207 -6.315 4.000 574 2HB PHE 76 1HB PHE 76 0.191 -7.049 4.777 575 HD1 PHE 76 1HD PHE 76 -3.091 -6.678 5.254 576 HD2 PHE 76 2HD PHE 76 0.537 -5.674 7.239 577 HE1 PHE 76 1HE PHE 76 -4.277 -6.652 7.404 578 HE2 PHE 76 2HE PHE 76 -0.647 -5.644 9.394 579 HZ PHE 76 HZ PHE 76 -3.060 -6.134 9.479
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